A0A087XLD7_POEFO Loading...

SUMO-activating enzyme subunit 2

The heterodimer acts as an E1 ligase for SUMO1, SUMO2, SUMO3, and probably SUMO4. It mediates ATP-dependent activation of SUMO proteins followed by formation of a thioester bond between a SUMO protein and a conserved active site cysteine residue on UBA2/SAE2.

AlphaFold DB , UniProt , Accession A0A087XLD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 646 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
1M48.5Very low68.1Low180 Ų180114.5 Ų114.589%0.88762%0.617SS**  0139.90-90.2175.5-159.900108.5L39M1-L39 HydrophobicContact CB-CD2 4.46Å; M1-L39 HydrophobicContact SD-CD1 4.43Å; M1-L39 HydrophobicContact SD-CD2 3.72Å
2V48.9Very low69.9Low146 Ų146106.4 Ų106.489%0.88557%0.573SS**  trans-77.4117.6173-179.90000107.1
3Q58.8Low71.3Confident57 Ų5799.3 Ų99.327%0.26654%0.538SS..  trans-67145.9172.2-70.5180-42.300109.6V5 V38Q3-V5 HydrophobicContact CB-CG2 3.96Å; Q3-V5 PolarHBondContact O-N 3.33Å; Q3-V38 PolarHBondContact NE2-O 3.04Å
4L60.9Low72.5Confident107 Ų10798.4 Ų98.456%0.5653%0.532SS*.G310 helixtrans-65.9-4.9-178-85.3156.2000114.6G6 S7 L39L4-G6 PolarHBondContact O-N 3.15Å; L4-S7 PolarHBondContact O-N 3.11Å; L4-L39 PolarHBondContact N-O 3.25Å; L4-L39 VanDerWaalsContact N-O 3.15Å
5V59Low73.7Confident49 Ų4993.3 Ų93.330%0.29751%0.508SS..G310 helixtrans-49.6-31.4-176.7-177.70000113.1Q3 S7 L8 A13Q3-V5 HydrophobicContact CB-CG2 3.96Å; Q3-V5 PolarHBondContact O-N 3.33Å; V5-S7 VanDerWaalsContact C-N 3.25Å; V5-S7 PolarHBondContact O-N 3.08Å; V5-L8 PolarHBondContact O-N 3.49Å; V5-A13 HydrophobicContact CG1-CB 3.7Å
6G58.7Low74.8Confident78 Ų7887.6 Ų87.680%0.80448%0.476SS*.G310 helixtrans-67-15.7-17900000116L4L4-G6 PolarHBondContact O-N 3.15Å
7S69.5Low75.5Confident110 Ų11085.2 Ų85.277%0.76947%0.468SS*.G310 helixtrans-106.7-7.3-179.1-58.90000114.1L4 V5L4-S7 PolarHBondContact O-N 3.11Å; V5-S7 VanDerWaalsContact C-N 3.25Å; V5-S7 PolarHBondContact O-N 3.08Å
8L84.4Confident76.3Confident50 Ų5085.2 Ų85.226%0.26248%0.475SS..SBendtrans-86.6154.9177.9-63177.6000110.9V5 K10 L12 L16 T40 L400V5-L8 PolarHBondContact O-N 3.49Å; L8-K10 PolarHBondContact O-N 3.12Å; L8-L12 HydrophobicContact CB-CD2 4.5Å; L8-L12 HydrophobicContact CD1-CD2 4.43Å; L8-L12 HydrophobicContact CD2-CD2 4.21Å; L8-L16 HydrophobicContact CD1-CD1 3.43Å; L8-L16 VanDerWaalsContact CD1-CD1 3.43Å; L8-T40 HydrophobicContact CD1-CG2 4.43Å; L8-L400 HydrophobicContact CD1-CD2 4.4Å
9R86.1Confident77.3Confident162 Ų16280.7 Ų80.761%0.61145%0.45SS*.  trans-57.4140.7171.1-57.8-175.3-140.8158.511108.5E11 L12 A13 E406R9-E11 VanDerWaalsContact C-N 3.29Å; R9-E11 PolarHBondContact O-N 2.77Å; R9-L12 PolarHBondContact O-N 2.72Å; R9-A13 PolarHBondContact O-N 3.31Å; R9-E406 IonicContact CZ-OE1 3.48Å; R9-E406 IonicContact NH1-OE1 3.38Å; R9-E406 PolarHBondContact NH1-OE1 3.31Å; R9-E406 IonicContact NH2-OE1 3.84Å; R9-E406 PolarHBondContact NH2-OE1 2.86Å
10K85.9Confident78.3Confident161 Ų16179.5 Ų79.570%0.744%0.44SS*.Hα-helixtrans-54.5-43.5-174.6-175.2-179.5175-173.10112.9L8 L12 A13 D14L8-K10 PolarHBondContact O-N 3.12Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 2.84Å; K10-A13 WeakPolarHBondContact O-CB 3.3Å; K10-A13 PolarHBondContact O-N 3.18Å; K10-D14 WeakPolarHBondContact O-CB 3.15Å; K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 2.71Å
11E88Confident79.3Confident159 Ų15975.7 Ų75.774%0.74342%0.419SS*.Hα-helixtrans-58.6-43.8178.5-65.8169.2-178.300112.3R9 D14 S15R9-E11 VanDerWaalsContact C-N 3.29Å; R9-E11 PolarHBondContact O-N 2.77Å; E11-D14 PolarHBondContact O-N 3.23Å; E11-S15 WeakPolarHBondContact O-CB 3.44Å; E11-S15 PolarHBondContact O-N 3.3Å
12L90.3Very high81.7Confident18 Ų1867.1 Ų67.19%0.09438%0.377CS..Hα-helixtrans-67.1-42.9176.4-179.659.2000111.1L8 R9 K10 D14 S15 L16 L400 L403L8-L12 HydrophobicContact CB-CD2 4.5Å; L8-L12 HydrophobicContact CD1-CD2 4.43Å; L8-L12 HydrophobicContact CD2-CD2 4.21Å; R9-L12 PolarHBondContact O-N 2.72Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 2.84Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.33Å; L12-S15 WeakPolarHBondContact O-CB 3.3Å; L12-S15 PolarHBondContact O-N 3.01Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 2.96Å; L12-L400 HydrophobicContact CD1-CD2 4.24Å; L12-L400 HydrophobicContact CD2-CB 4.46Å; L12-L400 HydrophobicContact CD2-CD2 4.12Å; L12-L400 HydrophobicContact CG-CD2 4.35Å; L12-L403 HydrophobicContact CD1-CB 3.82Å
13A88.3Confident84Confident14 Ų1460.2 Ų60.212%0.11633%0.334CS..Hα-helixtrans-58.9-41.7174.700000112.7V5 R9 K10 L16 S17V5-A13 HydrophobicContact CG1-CB 3.7Å; R9-A13 PolarHBondContact O-N 3.31Å; K10-A13 WeakPolarHBondContact O-CB 3.3Å; K10-A13 PolarHBondContact O-N 3.18Å; A13-L16 PolarHBondContact O-N 3.49Å; A13-S17 PolarHBondContact O-N 3.23Å
14D88Confident85.9Confident86 Ų8657.6 Ų57.646%0.4632%0.322SS..Hα-helixtrans-66.8-42176.5-68.5-21.1000110.5K10 E11 L12 L16 S17 S18K10-D14 WeakPolarHBondContact O-CB 3.15Å; K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 2.71Å; E11-D14 PolarHBondContact O-N 3.23Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.33Å; D14-L16 PolarHBondContact O-N 3.27Å; D14-S17 PolarHBondContact O-N 3.25Å; D14-S17 PolarHBondContact O-OG 2.95Å; D14-S18 PolarHBondContact O-N 3.23Å; D14-S18 PolarHBondContact O-OG 3.03Å; D14-S18 VanDerWaalsContact O-OG 3.07Å
15S89.8Confident87.4Confident23 Ų2352.7 Ų52.716%0.16130%0.298CS..Hα-helixtrans-59.2-45.6173.2-172.20000111.9E11 L12 S17 S18 C19E11-S15 WeakPolarHBondContact O-CB 3.44Å; E11-S15 PolarHBondContact O-N 3.3Å; L12-S15 WeakPolarHBondContact O-CB 3.3Å; L12-S15 PolarHBondContact O-N 3.01Å; S15-S17 PolarHBondContact O-N 3.02Å; S15-S18 PolarHBondContact O-N 3.34Å; S15-S18 PolarHBondContact O-OG 2.98Å; S15-C19 WeakPolarHBondContact O-CB 3.25Å; S15-C19 PolarHBondContact O-N 3.38Å; S15-C19 PolarHBondContact O-SG 2.63Å; S15-C19 VanDerWaalsContact O-SG 3.38Å
16L90.8Very high89Confident1 Ų150.4 Ų50.41%0.00528%0.284CS..Hα-helixtrans-59.1-35.4177.9-71.6176.1000113L8 L12 A13 D14 S18 C19 T40 F42 L400 L403L8-L16 HydrophobicContact CD1-CD1 3.43Å; L8-L16 VanDerWaalsContact CD1-CD1 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 2.96Å; A13-L16 PolarHBondContact O-N 3.49Å; D14-L16 PolarHBondContact O-N 3.27Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-C19 PolarHBondContact O-SG 2.93Å; L16-T40 HydrophobicContact CD1-CG2 4.17Å; L16-F42 HydrophobicContact CD2-CD1 3.93Å; L16-F42 HydrophobicContact CD2-CD2 3.67Å; L16-F42 HydrophobicContact CD2-CE1 3.55Å; L16-F42 HydrophobicContact CD2-CE2 3.26Å; L16-F42 HydrophobicContact CD2-CG 3.99Å; L16-F42 HydrophobicContact CD2-CZ 3.21Å; L16-L400 HydrophobicContact CD1-CD2 3.96Å; L16-L400 HydrophobicContact CD2-CD2 3.86Å; L16-L400 HydrophobicContact CG-CD2 4.34Å; L16-L403 HydrophobicContact CD2-CD1 3.72Å
17S86.8Confident90.4Very high47 Ų4747.3 Ų47.333%0.32925%0.252SS..Hα-helixtrans-73.9-25.3-178.279.10000114A13 D14 S15 N44A13-S17 PolarHBondContact O-N 3.23Å; D14-S17 PolarHBondContact O-N 3.25Å; D14-S17 PolarHBondContact O-OG 2.95Å; S15-S17 PolarHBondContact O-N 3.02Å; S17-N44 PolarHBondContact O-ND2 3.1Å
18S90.5Very high91.2Very high85 Ų8542.6 Ų42.659%0.59422%0.221SC*.Hα-helixtrans-108.6-26.8-174.5550000113.1D14 S15 L16D14-S18 PolarHBondContact O-N 3.23Å; D14-S18 PolarHBondContact O-OG 3.03Å; D14-S18 VanDerWaalsContact O-OG 3.07Å; S15-S18 PolarHBondContact O-N 3.34Å; S15-S18 PolarHBondContact O-OG 2.98Å; L16-S18 VanDerWaalsContact C-N 3.34Å
19C94.6Very high91.6Very high1 Ų140.7 Ų40.71%0.00721%0.211CC..  trans-61.9146.2179.5730000111.3S15 L16 F42 N44 M111 L403S15-C19 WeakPolarHBondContact O-CB 3.25Å; S15-C19 PolarHBondContact O-N 3.38Å; S15-C19 PolarHBondContact O-SG 2.63Å; S15-C19 VanDerWaalsContact O-SG 3.38Å; L16-C19 PolarHBondContact O-SG 2.93Å; C19-F42 VanDerWaalsContact SG-CD1 3.55Å; C19-N44 WeakPolarHBondContact O-CB 3.06Å; C19-N44 PolarHBondContact O-ND2 2.79Å; C19-M111 HydrophobicContact CB-CB 4.4Å; C19-M111 HydrophobicContact CB-CG 4.3Å; C19-M111 HydrophobicContact CB-SD 3.42Å; C19-M111 WeakPolarHBondContact CB-SD 3.42Å; C19-L403 HydrophobicContact CB-CD2 4.44Å
20K98.1Very high92.1Very high56 Ų5633 Ų3324%0.24318%0.183CC..EExtended strand (participates in β ladder)trans-110.2129.6170.4-160.2-174.4-174.7-153.50108.5N44 D46 F110 M111K20-N44 WeakPolarHBondContact CA-O 3.48Å; K20-N44 HydrophobicContact CB-CB 4.29Å; K20-N44 HydrophobicContact CG-CB 4.01Å; K20-D46 VanDerWaalsContact CE-CG 3.44Å; K20-D46 WeakPolarHBondContact CE-OD1 3.28Å; K20-D46 VanDerWaalsContact CE-OD2 3.3Å; K20-D46 WeakPolarHBondContact CE-OD2 3.24Å; K20-D46 IonicContact NZ-OD1 3.02Å; K20-D46 PolarHBondContact NZ-OD1 2.91Å; K20-D46 IonicContact NZ-OD2 2.7Å; K20-D46 PolarHBondContact NZ-OD2 3.43Å; K20-F110 HydrophobicContact CB-CD1 4.3Å; K20-F110 HydrophobicContact CD-CD1 3.98Å; K20-F110 HydrophobicContact CD-CE1 3.8Å; K20-F110 HydrophobicContact CG-CD1 3.81Å; K20-F110 HydrophobicContact CG-CE1 3.93Å; K20-F110 CarbonylContact O-C 3.56Å; K20-F110 WeakPolarHBondContact O-CA 3.41Å; K20-M111 PolarHBondContact O-N 2.73Å
21V98.6Very high92.5Very high0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-125.4149.7-179.5-58.50000111.4L37 F42 N44 I45 D46 F110 L112 M114V21-L37 HydrophobicContact CG2-CD1 4.33Å; V21-F42 HydrophobicContact CG1-CD1 3.83Å; V21-F42 HydrophobicContact CG1-CE1 3.73Å; V21-F42 HydrophobicContact CG2-CD1 4.1Å; V21-N44 PolarHBondContact N-O 3.49Å; V21-N44 VanDerWaalsContact N-O 3.07Å; V21-I45 HydrophobicContact CG2-CB 4.34Å; V21-I45 HydrophobicContact CG2-CG1 3.98Å; V21-I45 HydrophobicContact CG2-CG2 4.18Å; V21-D46 PolarHBondContact O-N 3.34Å; V21-F110 VanDerWaalsContact C-CD1 3.47Å; V21-L112 WeakPolarHBondContact CA-O 3.33Å; V21-L112 HydrophobicContact CG1-CB 4.03Å; V21-M114 HydrophobicContact CB-CE 3.59Å; V21-M114 HydrophobicContact CG1-CE 4.09Å; V21-M114 HydrophobicContact CG2-CE 3.76Å
22L98.9Very high92.9Very high0 Ų019 Ų190%012%0.119CC..EExtended strand (participates in β ladder)trans-110.8128.6175.4179.263.7000109.9V24 D46 I48 F106 F107 F110 L112 V113 M114L22-V24 HydrophobicContact CD2-CG2 3.89Å; L22-V24 HydrophobicContact CG-CG2 3.87Å; L22-D46 WeakPolarHBondContact CA-O 3.14Å; L22-D46 HydrophobicContact CD1-CB 3.9Å; L22-I48 HydrophobicContact CD1-CG2 4.26Å; L22-F106 HydrophobicContact CD1-CE1 4.24Å; L22-F106 HydrophobicContact CD1-CZ 4.09Å; L22-F106 HydrophobicContact CD2-CE1 3.75Å; L22-F106 HydrophobicContact CD2-CZ 4.4Å; L22-F107 HydrophobicContact CD2-CD1 4.37Å; L22-F107 HydrophobicContact CD2-CE1 3.96Å; L22-F107 HydrophobicContact CD2-CZ 4.33Å; L22-F110 HydrophobicContact CB-CB 4.48Å; L22-F110 HydrophobicContact CB-CD1 3.8Å; L22-F110 HydrophobicContact CB-CD2 3.85Å; L22-F110 HydrophobicContact CB-CE1 3.91Å; L22-F110 HydrophobicContact CB-CE2 3.97Å; L22-F110 HydrophobicContact CB-CG 3.76Å; L22-F110 HydrophobicContact CB-CZ 3.99Å; L22-F110 HydrophobicContact CD1-CE1 4.48Å; L22-F110 HydrophobicContact CD1-CE2 4.33Å; L22-F110 HydrophobicContact CD1-CZ 4.03Å; L22-F110 HydrophobicContact CD2-CD2 4.15Å; L22-F110 HydrophobicContact CD2-CE2 3.94Å; L22-F110 HydrophobicContact CD2-CZ 4.46Å; L22-F110 HydrophobicContact CG-CE2 4.31Å; L22-F110 HydrophobicContact CG-CZ 4.39Å; L22-L112 PolarHBondContact N-O 3.42Å; L22-L112 VanDerWaalsContact N-O 3.07Å; L22-V113 HydrophobicContact CB-CG1 4.37Å; L22-V113 HydrophobicContact CB-CG2 4.24Å; L22-V113 HydrophobicContact CD2-CG1 4.15Å; L22-V113 HydrophobicContact CD2-CG2 4.37Å; L22-V113 HydrophobicContact CG-CG1 4.41Å; L22-M114 PolarHBondContact O-N 3.4Å
23V98.8Very high93.3Very high0 Ų018.1 Ų18.10%012%0.115CC..EExtended strand (participates in β ladder)trans-108.7116.4169.9179.10000108.3L33 L37 I45 D46 V47 I48 M114V23-L33 HydrophobicContact CG1-CD2 3.89Å; V23-L33 HydrophobicContact CG2-CD2 4.09Å; V23-L33 HydrophobicContact CG2-CG 4.39Å; V23-L37 HydrophobicContact CG2-CD1 3.56Å; V23-I45 HydrophobicContact CG2-CG2 4.13Å; V23-D46 PolarHBondContact N-O 3.2Å; V23-V47 HydrophobicContact CB-CG2 4.29Å; V23-V47 WeakPolarHBondContact O-CA 3.31Å; V23-I48 PolarHBondContact O-N 3.32Å; V23-I48 VanDerWaalsContact O-N 3.11Å; V23-M114 HydrophobicContact CG2-CE 4.32Å
24V97.8Very high93.8Very high2 Ų217.5 Ų17.51%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-100.4105.6180-165.20000109L22 I48 I97 V113 M114 A116 L117 V126L22-V24 HydrophobicContact CD2-CG2 3.89Å; L22-V24 HydrophobicContact CG-CG2 3.87Å; V24-I48 HydrophobicContact CB-CG2 4.25Å; V24-I48 HydrophobicContact CG1-CG2 3.87Å; V24-I48 HydrophobicContact CG2-CG2 4.32Å; V24-I97 HydrophobicContact CG1-CB 3.85Å; V24-I97 HydrophobicContact CG1-CG1 3.92Å; V24-I97 HydrophobicContact CG1-CG2 3.87Å; V24-V113 HydrophobicContact CG2-CG1 4Å; V24-M114 PolarHBondContact N-O 2.85Å; V24-A116 CarbonylContact O-C 3.18Å; V24-A116 WeakPolarHBondContact O-CA 3.01Å; V24-A116 PolarHBondContact O-N 2.86Å; V24-L117 HydrophobicContact CB-CG 4.41Å; V24-L117 HydrophobicContact CG1-CD1 4.03Å; V24-L117 HydrophobicContact CG1-CD2 3.79Å; V24-L117 HydrophobicContact CG1-CG 4.02Å; V24-V126 HydrophobicContact CG1-CG2 4.11Å; V24-V126 HydrophobicContact CG2-CG1 4.5Å; V24-V126 HydrophobicContact CG2-CG2 4.3Å
25G92.6Very high94.3Very high5 Ų515.6 Ų15.65%0.05210%0.097CC..  trans105.5129.5-173.100000112.8G30 I48G25-G30 WeakPolarHBondContact O-CA 3.45Å; G25-I48 WeakPolarHBondContact CA-O 3.39Å; G25-I48 PolarHBondContact N-O 2.9Å
26A91.9Very high94.6Very high1 Ų115.9 Ų15.91%0.00810%0.097CC..  trans-113.525.4177.400000112C31 V47 D49 F64 K73 A77A26-C31 PolarHBondContact O-SG 3Å; A26-C31 VanDerWaalsContact O-SG 3.36Å; A26-V47 HydrophobicContact CB-CG1 4.06Å; A26-D49 WeakPolarHBondContact CA-OD2 3.22Å; A26-D49 HydrophobicContact CB-CB 3.7Å; A26-D49 PolarHBondContact N-OD2 3.43Å; A26-F64 WeakPolarHBondContact O-CE2 3.38Å; A26-F64 WeakPolarHBondContact O-CZ 3.35Å; A26-K73 HydrophobicContact CB-CB 4.02Å; A26-A77 HydrophobicContact CB-CB 4.44Å
27G89.3Confident95Very high12 Ų1215.8 Ų15.812%0.12410%0.096CC..SBendtrans-76.9-144.4176.300000114.2G30 C31G27-G30 PolarHBondContact O-N 2.98Å; G27-C31 WeakPolarHBondContact O-CB 3.35Å; G27-C31 PolarHBondContact O-N 2.99Å; G27-C31 PolarHBondContact O-SG 3.29Å
28G85.5Confident95.4Very high11 Ų1113.6 Ų13.611%0.1138%0.081CC..Hα-helixtrans-60.1-57-176.200000113.3N388G28-N388 WeakPolarHBondContact CA-ND2 3.37Å
29I93.6Very high95.6Very high10 Ų1011.5 Ų11.55%0.0516%0.063CC..Hα-helixtrans-63.2-45.4174-62.1172.5000110C31 E32 L33 A116 T142 N388 I391 A392 I395I29-C31 PolarHBondContact O-N 2.8Å; I29-E32 PolarHBondContact O-N 3.38Å; I29-L33 WeakPolarHBondContact O-CB 3.45Å; I29-L33 PolarHBondContact O-N 2.86Å; I29-A116 HydrophobicContact CB-CB 3.99Å; I29-A116 HydrophobicContact CG2-CB 3.9Å; I29-T142 HydrophobicContact CD1-CG2 3.87Å; I29-T142 HydrophobicContact CG1-CG2 4.13Å; I29-N388 HydrophobicContact CG1-CB 4.38Å; I29-I391 HydrophobicContact CD1-CG2 4.01Å; I29-I391 HydrophobicContact CG1-CG2 4.45Å; I29-A392 HydrophobicContact CG2-CB 4.31Å; I29-I395 HydrophobicContact CG2-CD1 3.55Å
30G95.4Very high95.6Very high2 Ų212.1 Ų12.12%0.0217%0.067CC..Hα-helixtrans-56.6-43.7-175.900000114.1G25 G27 L33 L34G25-G30 WeakPolarHBondContact O-CA 3.45Å; G27-G30 PolarHBondContact O-N 2.98Å; G30-L33 PolarHBondContact O-N 2.84Å; G30-L34 WeakPolarHBondContact O-CB 3.44Å; G30-L34 PolarHBondContact O-N 3.02Å
31C94.1Very high95.3Very high0 Ų09.6 Ų9.60%06%0.057CC..Hα-helixtrans-62.6-48176.1-74.70000112.4A26 G27 I29 L33 K35 F62 L63 F64A26-C31 PolarHBondContact O-SG 3Å; A26-C31 VanDerWaalsContact O-SG 3.36Å; G27-C31 WeakPolarHBondContact O-CB 3.35Å; G27-C31 PolarHBondContact O-N 2.99Å; G27-C31 PolarHBondContact O-SG 3.29Å; I29-C31 PolarHBondContact O-N 2.8Å; C31-L33 VanDerWaalsContact C-N 3.35Å; C31-K35 PolarHBondContact O-N 2.92Å; C31-F62 HydrophobicContact CB-CD1 4.13Å; C31-F62 HydrophobicContact CB-CE1 4.06Å; C31-F62 WeakPolarHBondContact O-CE1 3.45Å; C31-L63 HydrophobicContact CB-CB 4.46Å; C31-L63 HydrophobicContact CB-CD1 4Å; C31-L63 HydrophobicContact CB-CG 4.03Å; C31-F64 VanDerWaalsContact SG-CZ 3.59Å
32E97.9Very high95.2Very high24 Ų249.7 Ų9.711%0.1126%0.057CC..Hα-helixtrans-64.5-41178.5-75-67.8159.500111.6I29 K35 N36 F62 A389 A392I29-E32 PolarHBondContact O-N 3.38Å; E32-K35 PolarHBondContact O-N 2.87Å; E32-K35 WeakPolarHBondContact OE2-CE 3.45Å; E32-K35 IonicContact OE2-NZ 2.72Å; E32-K35 PolarHBondContact OE2-NZ 3.45Å; E32-N36 WeakPolarHBondContact O-CB 3.47Å; E32-N36 PolarHBondContact O-N 3.41Å; E32-N36 PolarHBondContact O-ND2 3.41Å; E32-N36 PolarHBondContact O-OD1 3.45Å; E32-F62 HydrophobicContact CG-CD1 4.35Å; E32-F62 HydrophobicContact CG-CE1 4.33Å; E32-F62 VanDerWaalsContact OE1-CD1 3.3Å; E32-F62 WeakPolarHBondContact OE1-CD1 3.36Å; E32-A389 HydrophobicContact CG-CB 4.05Å; E32-A392 HydrophobicContact CB-CB 3.45Å; E32-A392 VanDerWaalsContact CB-CB 3.45Å
33L98.4Very high95Very high0 Ų013.8 Ų13.80%08%0.075CC..Hα-helixtrans-63.6-48.1178.1178.957.7000111V23 I29 G30 C31 K35 N36 L37 M114 A392 I395 V396V23-L33 HydrophobicContact CG1-CD2 3.89Å; V23-L33 HydrophobicContact CG2-CD2 4.09Å; V23-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CB 3.45Å; I29-L33 PolarHBondContact O-N 2.86Å; G30-L33 PolarHBondContact O-N 2.84Å; C31-L33 VanDerWaalsContact C-N 3.35Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.35Å; L33-N36 PolarHBondContact O-N 2.92Å; L33-L37 HydrophobicContact CD1-CD1 4.13Å; L33-L37 HydrophobicContact CD1-CD2 4.4Å; L33-L37 HydrophobicContact CD1-CG 3.99Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.09Å; L33-L37 PolarHBondContact O-N 3.4Å; L33-M114 HydrophobicContact CD1-SD 4Å; L33-M114 HydrophobicContact CD2-CB 3.8Å; L33-M114 HydrophobicContact CD2-SD 4.17Å; L33-A392 HydrophobicContact CB-CB 4.17Å; L33-I395 HydrophobicContact CD1-CB 4.08Å; L33-I395 HydrophobicContact CD1-CG2 3.61Å; L33-I395 HydrophobicContact CD2-CD1 4.29Å; L33-I395 HydrophobicContact CD2-CG2 4.09Å; L33-V396 HydrophobicContact CD1-CG2 3.55Å
34L98.4Very high95Very high1 Ų115.7 Ų15.71%0.0059%0.085CC..Hα-helixtrans-58.3-43.8178.3-177.159.4000111.6G30 L37 V38 I45 V47 L63 A77 A81 I90G30-L34 WeakPolarHBondContact O-CB 3.44Å; G30-L34 PolarHBondContact O-N 3.02Å; L34-L37 PolarHBondContact O-N 3.1Å; L34-V38 HydrophobicContact CD1-CG1 4.43Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.83Å; L34-V38 VanDerWaalsContact O-N 3.15Å; L34-I45 HydrophobicContact CD1-CD1 4.01Å; L34-I45 HydrophobicContact CD1-CG2 3.9Å; L34-V47 HydrophobicContact CD1-CG2 3.87Å; L34-V47 HydrophobicContact CD2-CG2 4.31Å; L34-L63 HydrophobicContact CD2-CD1 4.08Å; L34-A77 HydrophobicContact CD2-CB 3.95Å; L34-A81 HydrophobicContact CD2-CB 3.92Å; L34-A81 HydrophobicContact CG-CB 4.15Å; L34-I90 HydrophobicContact CD1-CD1 4.15Å
35K97.8Very high95Very high47 Ų4715.6 Ų15.620%0.2048%0.084CC..Hα-helixtrans-58.9-49.6172165.4-175.557.268.80111.6C31 E32 L33 L37 V38 L39 F62 F84C31-K35 PolarHBondContact O-N 2.92Å; E32-K35 PolarHBondContact O-N 2.87Å; E32-K35 WeakPolarHBondContact OE2-CE 3.45Å; E32-K35 IonicContact OE2-NZ 2.72Å; E32-K35 PolarHBondContact OE2-NZ 3.45Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.35Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 2.66Å; K35-V38 WeakPolarHBondContact O-CG2 3.36Å; K35-V38 PolarHBondContact O-N 3.32Å; K35-L39 HydrophobicContact CD-CD1 4.23Å; K35-L39 HydrophobicContact CG-CD1 3.61Å; K35-L39 HydrophobicContact CG-CG 4.27Å; K35-L39 WeakPolarHBondContact O-CB 3.36Å; K35-L39 VanDerWaalsContact O-CG 3.24Å; K35-L39 WeakPolarHBondContact O-CG 3.29Å; K35-L39 PolarHBondContact O-N 3.09Å; K35-F62 HydrophobicContact CB-CE1 4.31Å; K35-F62 HydrophobicContact CB-CZ 3.74Å; K35-F62 HydrophobicContact CD-CE1 4.33Å; K35-F62 HydrophobicContact CD-CE2 4.22Å; K35-F62 HydrophobicContact CD-CZ 3.65Å; K35-F62 HydrophobicContact CG-CZ 4.22Å; K35-F84 HydrophobicContact CB-CZ 4.22Å; K35-F84 HydrophobicContact CG-CE2 4.48Å; K35-F84 HydrophobicContact CG-CZ 4.48Å
36N97.9Very high95.3Very high28 Ų2815.4 Ų15.415%0.158%0.082CC..Hα-helixtrans-61.5-41.8-176.9-68-14000111E32 L33 T40 A392 G393 V396E32-N36 WeakPolarHBondContact O-CB 3.47Å; E32-N36 PolarHBondContact O-N 3.41Å; E32-N36 PolarHBondContact O-ND2 3.41Å; E32-N36 PolarHBondContact O-OD1 3.45Å; L33-N36 PolarHBondContact O-N 2.92Å; N36-T40 WeakPolarHBondContact O-CB 3.06Å; N36-T40 PolarHBondContact O-N 3.43Å; N36-T40 PolarHBondContact O-OG1 2.84Å; N36-A392 VanDerWaalsContact ND2-C 3.3Å; N36-A392 PolarHBondContact ND2-O 2.9Å; N36-G393 PolarHBondContact ND2-N 3.2Å; N36-V396 HydrophobicContact CB-CG2 3.67Å
37L97.4Very high95.6Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-60.4-55177.6-69.8171.5000111.7V21 V23 L33 L34 K35 L39 T40 G41 F42 I45 M114 V396V21-L37 HydrophobicContact CG2-CD1 4.33Å; V23-L37 HydrophobicContact CG2-CD1 3.56Å; L33-L37 HydrophobicContact CD1-CD1 4.13Å; L33-L37 HydrophobicContact CD1-CD2 4.4Å; L33-L37 HydrophobicContact CD1-CG 3.99Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.09Å; L33-L37 PolarHBondContact O-N 3.4Å; L34-L37 PolarHBondContact O-N 3.1Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 2.66Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 2.91Å; L37-T40 PolarHBondContact O-N 3.32Å; L37-G41 PolarHBondContact O-N 3.47Å; L37-F42 HydrophobicContact CB-CB 4.05Å; L37-F42 HydrophobicContact CB-CD2 4.07Å; L37-F42 HydrophobicContact CB-CG 4.2Å; L37-F42 HydrophobicContact CD2-CB 4.47Å; L37-F42 HydrophobicContact CD2-CD1 4.07Å; L37-F42 HydrophobicContact CD2-CD2 3.46Å; L37-F42 VanDerWaalsContact CD2-CD2 3.46Å; L37-F42 HydrophobicContact CD2-CE1 4.11Å; L37-F42 HydrophobicContact CD2-CE2 3.5Å; L37-F42 HydrophobicContact CD2-CG 3.75Å; L37-F42 HydrophobicContact CD2-CZ 3.83Å; L37-F42 HydrophobicContact CG-CD2 4.38Å; L37-F42 WeakPolarHBondContact O-CB 3.46Å; L37-F42 WeakPolarHBondContact O-CD2 3.46Å; L37-F42 PolarHBondContact O-N 2.87Å; L37-I45 HydrophobicContact CB-CD1 3.73Å; L37-I45 HydrophobicContact CD1-CD1 4.36Å; L37-I45 HydrophobicContact CD1-CG2 4.39Å; L37-M114 HydrophobicContact CD1-CE 3.85Å; L37-M114 HydrophobicContact CD1-SD 4.35Å; L37-M114 HydrophobicContact CD2-CE 3.91Å; L37-M114 HydrophobicContact CD2-SD 4.07Å; L37-V396 HydrophobicContact CD2-CG2 3.96Å; L37-V396 HydrophobicContact CG-CG2 4.26Å
38V96.4Very high96Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-66.1-32.1-177-59.10000112.9Q3 L34 K35 I45 F84 C85 A88 I90Q3-V38 PolarHBondContact NE2-O 3.04Å; L34-V38 HydrophobicContact CD1-CG1 4.43Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.83Å; L34-V38 VanDerWaalsContact O-N 3.15Å; K35-V38 WeakPolarHBondContact O-CG2 3.36Å; K35-V38 PolarHBondContact O-N 3.32Å; V38-I45 HydrophobicContact CG1-CD1 3.55Å; V38-F84 HydrophobicContact CG2-CD2 4.39Å; V38-F84 HydrophobicContact CG2-CE2 3.6Å; V38-F84 HydrophobicContact CG2-CZ 4.43Å; V38-C85 HydrophobicContact CB-CB 4.01Å; V38-C85 HydrophobicContact CG2-CB 3.91Å; V38-A88 HydrophobicContact CB-CB 4.36Å; V38-A88 HydrophobicContact CG1-CB 3.78Å; V38-I90 HydrophobicContact CG1-CD1 4.24Å
39L94.6Very high96.2Very high41 Ų4115.3 Ų15.322%0.2158%0.076CC..Hα-helixtrans-77.7-27.8176.5-65.7-177.8000113M1 L4 K35 L37 G41 F84M1-L39 HydrophobicContact CB-CD2 4.46Å; M1-L39 HydrophobicContact SD-CD1 4.43Å; M1-L39 HydrophobicContact SD-CD2 3.72Å; L4-L39 PolarHBondContact N-O 3.25Å; L4-L39 VanDerWaalsContact N-O 3.15Å; K35-L39 HydrophobicContact CD-CD1 4.23Å; K35-L39 HydrophobicContact CG-CD1 3.61Å; K35-L39 HydrophobicContact CG-CG 4.27Å; K35-L39 WeakPolarHBondContact O-CB 3.36Å; K35-L39 VanDerWaalsContact O-CG 3.24Å; K35-L39 WeakPolarHBondContact O-CG 3.29Å; K35-L39 PolarHBondContact O-N 3.09Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 2.91Å; L39-G41 VanDerWaalsContact C-N 3.34Å; L39-F84 HydrophobicContact CD2-CD2 4.31Å
40T94.3Very high95.6Very high15 Ų1519.3 Ų19.39%0.09210%0.097CC..Hα-helixtrans-74.3-27.7173.7-59.20000111.6L8 L16 N36 L37 F42 V396 L400L8-T40 HydrophobicContact CD1-CG2 4.43Å; L16-T40 HydrophobicContact CD1-CG2 4.17Å; N36-T40 WeakPolarHBondContact O-CB 3.06Å; N36-T40 PolarHBondContact O-N 3.43Å; N36-T40 PolarHBondContact O-OG1 2.84Å; L37-T40 PolarHBondContact O-N 3.32Å; T40-F42 HydrophobicContact CG2-CD2 4.39Å; T40-F42 HydrophobicContact CG2-CE2 4.17Å; T40-V396 HydrophobicContact CG2-CG1 4.12Å; T40-L400 HydrophobicContact CG2-CD1 4.29Å; T40-L400 HydrophobicContact CG2-CD2 4.06Å
41G92.8Very high94.9Very high3 Ų322.3 Ų22.33%0.03111%0.113CC..THydrogen-bonded Turntrans121.27174.300000114.9L37 L39 K43L37-G41 PolarHBondContact O-N 3.47Å; L39-G41 VanDerWaalsContact C-N 3.34Å; G41-K43 PolarHBondContact O-N 3.34Å
42F95.3Very high94Very high2 Ų225.5 Ų25.51%0.00913%0.132CC..  trans-62124.9170.6-71.8-97.8000109.5L16 C19 V21 L37 T40 I45 V396 L403L16-F42 HydrophobicContact CD2-CD1 3.93Å; L16-F42 HydrophobicContact CD2-CD2 3.67Å; L16-F42 HydrophobicContact CD2-CE1 3.55Å; L16-F42 HydrophobicContact CD2-CE2 3.26Å; L16-F42 HydrophobicContact CD2-CG 3.99Å; L16-F42 HydrophobicContact CD2-CZ 3.21Å; C19-F42 VanDerWaalsContact SG-CD1 3.55Å; V21-F42 HydrophobicContact CG1-CD1 3.83Å; V21-F42 HydrophobicContact CG1-CE1 3.73Å; V21-F42 HydrophobicContact CG2-CD1 4.1Å; L37-F42 HydrophobicContact CB-CB 4.05Å; L37-F42 HydrophobicContact CB-CD2 4.07Å; L37-F42 HydrophobicContact CB-CG 4.2Å; L37-F42 HydrophobicContact CD2-CB 4.47Å; L37-F42 HydrophobicContact CD2-CD1 4.07Å; L37-F42 HydrophobicContact CD2-CD2 3.46Å; L37-F42 VanDerWaalsContact CD2-CD2 3.46Å; L37-F42 HydrophobicContact CD2-CE1 4.11Å; L37-F42 HydrophobicContact CD2-CE2 3.5Å; L37-F42 HydrophobicContact CD2-CG 3.75Å; L37-F42 HydrophobicContact CD2-CZ 3.83Å; L37-F42 HydrophobicContact CG-CD2 4.38Å; L37-F42 WeakPolarHBondContact O-CB 3.46Å; L37-F42 WeakPolarHBondContact O-CD2 3.46Å; L37-F42 PolarHBondContact O-N 2.87Å; T40-F42 HydrophobicContact CG2-CD2 4.39Å; T40-F42 HydrophobicContact CG2-CE2 4.17Å; F42-I45 HydrophobicContact CB-CD1 4.09Å; F42-I45 HydrophobicContact CB-CG1 4.21Å; F42-V396 HydrophobicContact CE2-CG1 4.27Å; F42-L403 HydrophobicContact CE1-CD1 3.64Å; F42-L403 HydrophobicContact CZ-CD1 3.74Å
43K94.7Very high93.1Very high86 Ų8624.5 Ų24.537%0.37413%0.128SC..  trans-98.1-41.6-178.6-70.2-170.9179.5178.20113.3G41 N89G41-K43 PolarHBondContact O-N 3.34Å; K43-N89 CarbonylContact O-C 3.33Å; K43-N89 WeakPolarHBondContact O-CA 3.47Å; K43-N89 WeakPolarHBondContact O-CB 3.41Å; K43-N89 PolarHBondContact O-N 2.84Å; K43-N89 VanDerWaalsContact O-O 3.05Å
44N98.1Very high91.7Very high40 Ų4026.8 Ų26.821%0.21414%0.14CC..EExtended strand (participates in β ladder)trans-106.3104-173.2-47.2-72.2000109.8S17 C19 K20 V21 N89S17-N44 PolarHBondContact O-ND2 3.1Å; C19-N44 WeakPolarHBondContact O-CB 3.06Å; C19-N44 PolarHBondContact O-ND2 2.79Å; K20-N44 WeakPolarHBondContact CA-O 3.48Å; K20-N44 HydrophobicContact CB-CB 4.29Å; K20-N44 HydrophobicContact CG-CB 4.01Å; V21-N44 PolarHBondContact N-O 3.49Å; V21-N44 VanDerWaalsContact N-O 3.07Å; N44-N89 WeakPolarHBondContact CA-O 3.44Å; N44-N89 PolarHBondContact OD1-ND2 3.27Å
45I98.7Very high90.3Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-127.6125.9-173.6-52.4172.4000108.6V21 V23 L34 L37 V38 F42 V47 N89 I90 T91V21-I45 HydrophobicContact CG2-CB 4.34Å; V21-I45 HydrophobicContact CG2-CG1 3.98Å; V21-I45 HydrophobicContact CG2-CG2 4.18Å; V23-I45 HydrophobicContact CG2-CG2 4.13Å; L34-I45 HydrophobicContact CD1-CD1 4.01Å; L34-I45 HydrophobicContact CD1-CG2 3.9Å; L37-I45 HydrophobicContact CB-CD1 3.73Å; L37-I45 HydrophobicContact CD1-CD1 4.36Å; L37-I45 HydrophobicContact CD1-CG2 4.39Å; V38-I45 HydrophobicContact CG1-CD1 3.55Å; F42-I45 HydrophobicContact CB-CD1 4.09Å; F42-I45 HydrophobicContact CB-CG1 4.21Å; I45-V47 HydrophobicContact CG2-CG2 3.86Å; I45-N89 PolarHBondContact N-O 2.99Å; I45-I90 HydrophobicContact CB-CG1 4.49Å; I45-I90 CarbonylContact O-C 3.49Å; I45-I90 VanDerWaalsContact O-CA 3.23Å; I45-I90 WeakPolarHBondContact O-CA 3.34Å; I45-T91 PolarHBondContact O-N 3.45Å
46D98.8Very high89Confident1 Ų129.9 Ų29.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-102.5133.7167.3-72.519.4000108.1K20 V21 L22 V23 T91 Y93 F110K20-D46 VanDerWaalsContact CE-CG 3.44Å; K20-D46 WeakPolarHBondContact CE-OD1 3.28Å; K20-D46 VanDerWaalsContact CE-OD2 3.3Å; K20-D46 WeakPolarHBondContact CE-OD2 3.24Å; K20-D46 IonicContact NZ-OD1 3.02Å; K20-D46 PolarHBondContact NZ-OD1 2.91Å; K20-D46 IonicContact NZ-OD2 2.7Å; K20-D46 PolarHBondContact NZ-OD2 3.43Å; V21-D46 PolarHBondContact O-N 3.34Å; L22-D46 WeakPolarHBondContact CA-O 3.14Å; L22-D46 HydrophobicContact CD1-CB 3.9Å; V23-D46 PolarHBondContact N-O 3.2Å; D46-T91 CarbonylContact C-O 3.59Å; D46-T91 WeakPolarHBondContact CA-O 3.41Å; D46-T91 WeakPolarHBondContact OD1-CB 3.44Å; D46-T91 PolarHBondContact OD1-OG1 3.4Å; D46-T91 VanDerWaalsContact OD1-OG1 3.12Å; D46-Y93 HydrophobicContact CB-CE2 3.96Å; D46-Y93 PolarHBondContact OD2-OH 3.47Å; D46-F110 HydrophobicContact CB-CE1 3.64Å; D46-F110 HydrophobicContact CB-CZ 3.86Å; D46-F110 WeakPolarHBondContact OD2-CE1 3.44Å; D46-F110 WeakPolarHBondContact OD2-CZ 3.43Å
47V98.3Very high88Confident3 Ų329.2 Ų29.22%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-126129.1179.6-175.60000108.4V23 A26 L34 I45 I90 T91 A92 Y93V23-V47 HydrophobicContact CB-CG2 4.29Å; V23-V47 WeakPolarHBondContact O-CA 3.31Å; A26-V47 HydrophobicContact CB-CG1 4.06Å; L34-V47 HydrophobicContact CD1-CG2 3.87Å; L34-V47 HydrophobicContact CD2-CG2 4.31Å; I45-V47 HydrophobicContact CG2-CG2 3.86Å; V47-I90 HydrophobicContact CG2-CG2 4.15Å; V47-T91 PolarHBondContact N-O 2.82Å; V47-A92 CarbonylContact O-C 3.59Å; V47-A92 WeakPolarHBondContact O-CA 3.4Å; V47-Y93 PolarHBondContact O-N 3.19Å
48I97.3Very high87.2Confident2 Ų231.7 Ų31.71%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-126136178-176.3162.8000110.6L22 V23 V24 G25 Y93 D95 I97 Y102L22-I48 HydrophobicContact CD1-CG2 4.26Å; V23-I48 PolarHBondContact O-N 3.32Å; V23-I48 VanDerWaalsContact O-N 3.11Å; V24-I48 HydrophobicContact CB-CG2 4.25Å; V24-I48 HydrophobicContact CG1-CG2 3.87Å; V24-I48 HydrophobicContact CG2-CG2 4.32Å; G25-I48 WeakPolarHBondContact CA-O 3.39Å; G25-I48 PolarHBondContact N-O 2.9Å; I48-Y93 WeakPolarHBondContact CA-O 3.33Å; I48-Y93 HydrophobicContact CB-CD2 4.43Å; I48-D95 HydrophobicContact CD1-CB 4.37Å; I48-D95 VanDerWaalsContact CG1-O 3.24Å; I48-D95 WeakPolarHBondContact CG1-O 3.18Å; I48-I97 HydrophobicContact CD1-CB 4.3Å; I48-I97 HydrophobicContact CD1-CD1 4.15Å; I48-I97 HydrophobicContact CG2-CD1 4.25Å; I48-Y102 HydrophobicContact CD1-CD1 4.45Å; I48-Y102 HydrophobicContact CD1-CD2 3.95Å; I48-Y102 HydrophobicContact CD1-CE1 4Å; I48-Y102 HydrophobicContact CD1-CE2 3.44Å; I48-Y102 VanDerWaalsContact CD1-CE2 3.44Å; I48-Y102 HydrophobicContact CD1-CG 4.43Å; I48-Y102 VanDerWaalsContact CD1-CZ 3.47Å
49D90Very high86Confident16 Ų1636.5 Ų36.59%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-155.7137.9173.4-165.2-61.1000108.6A26 D51 K73 A74 Y93 H94 D95A26-D49 WeakPolarHBondContact CA-OD2 3.22Å; A26-D49 HydrophobicContact CB-CB 3.7Å; A26-D49 PolarHBondContact N-OD2 3.43Å; D49-D51 WeakPolarHBondContact OD1-CB 3.28Å; D49-D51 PolarHBondContact OD1-N 3.32Å; D49-K73 HydrophobicContact CB-CB 4.25Å; D49-A74 HydrophobicContact CB-CB 4.13Å; D49-Y93 PolarHBondContact N-O 3.35Å; D49-Y93 VanDerWaalsContact N-O 3.11Å; D49-H94 CarbonylContact O-C 3.59Å; D49-H94 VanDerWaalsContact O-CA 3.31Å; D49-H94 WeakPolarHBondContact O-CA 3.4Å; D49-H94 PolarHBondContact O-CD2 3.17Å; D49-D95 CarbonylContact C-O 3.55Å; D49-D95 PolarHBondContact O-N 3.13Å; D49-D95 VanDerWaalsContact O-N 3.17Å
50L81.6Confident85.1Confident94 Ų9437.2 Ų37.249%0.49220%0.2SC..  trans-87.2-15.4-177.170.995000113.2H94 D95L50-H94 PolarHBondContact O-NE2 2.98Å; L50-D95 WeakPolarHBondContact CA-O 3.32Å; L50-D95 PolarHBondContact N-O 2.98Å
51D79.6Confident84.7Confident65 Ų6537 Ų3735%0.34820%0.198SC..PPolyproline II helixtrans-93.5161-170.6-79.3-19.6000113.8D49 K73D49-D51 WeakPolarHBondContact OD1-CB 3.28Å; D49-D51 PolarHBondContact OD1-N 3.32Å; D51-K73 HydrophobicContact CB-CD 3.79Å; D51-K73 HydrophobicContact CB-CG 4.41Å; D51-K73 PolarHBondContact O-N 3.5Å; D51-K73 IonicContact OD2-NZ 3.78Å; D51-K73 PolarHBondContact OD2-NZ 3.33Å
52T76.6Confident84.6Confident68 Ų6841 Ų4142%0.41721%0.214SC..BIsolated β-bridgetrans-97.7162.4163.367.70000112.1K71 K73T52-K71 CarbonylContact C-O 3.48Å; T52-K71 VanDerWaalsContact CA-O 3.23Å; T52-K71 WeakPolarHBondContact CA-O 3.09Å; T52-K71 WeakPolarHBondContact CB-O 3.25Å; T52-K73 VanDerWaalsContact O-CE 3.27Å; T52-K73 WeakPolarHBondContact O-CE 3.42Å
53I77.9Confident84.6Confident2 Ų241.1 Ų41.11%0.0122%0.215CC..PPolyproline II helixtrans-76.9125.6-176.4-64.6162.5000110.5L58 F64 H68 V69 G70 K71 K73 V76I53-L58 HydrophobicContact CG2-CD2 4.34Å; I53-F64 HydrophobicContact CD1-CB 4.1Å; I53-F64 HydrophobicContact CD1-CD1 3.53Å; I53-F64 HydrophobicContact CD1-CD2 4.2Å; I53-F64 HydrophobicContact CD1-CE1 3.99Å; I53-F64 HydrophobicContact CD1-CG 3.67Å; I53-F64 HydrophobicContact CG1-CB 4.44Å; I53-F64 HydrophobicContact CG1-CD1 4.11Å; I53-F64 HydrophobicContact CG1-CD2 3.89Å; I53-F64 HydrophobicContact CG1-CE1 4.39Å; I53-F64 HydrophobicContact CG1-CE2 4.17Å; I53-F64 HydrophobicContact CG1-CG 3.88Å; I53-F64 HydrophobicContact CG1-CZ 4.43Å; I53-F64 HydrophobicContact CG2-CB 3.99Å; I53-F64 HydrophobicContact CG2-CD2 4.32Å; I53-F64 HydrophobicContact CG2-CG 4.26Å; I53-H68 HydrophobicContact CD1-CB 3.65Å; I53-V69 HydrophobicContact CG2-CG2 4.5Å; I53-V69 CarbonylContact O-C 3.58Å; I53-V69 WeakPolarHBondContact O-CA 3.22Å; I53-G70 PolarHBondContact O-N 3.47Å; I53-K71 WeakPolarHBondContact CG1-O 3.12Å; I53-K71 PolarHBondContact N-O 2.87Å; I53-K73 HydrophobicContact CG1-CB 4.47Å; I53-K73 HydrophobicContact CG1-CG 3.78Å; I53-V76 HydrophobicContact CD1-CB 3.72Å; I53-V76 HydrophobicContact CD1-CG1 3.84Å; I53-V76 HydrophobicContact CD1-CG2 3.78Å
54D68.9Low84.4Confident48 Ų4837.5 Ų37.526%0.25720%0.199SC..  trans-104.2160.9171.2-176.4-102.6000112.6S56 N57D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 3.46Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.07Å; D54-S56 PolarHBondContact OD1-OG 3.11Å; D54-N57 PolarHBondContact N-OD1 3.4Å; D54-N57 VanDerWaalsContact O-CB 3.23Å; D54-N57 WeakPolarHBondContact O-CB 3.44Å; D54-N57 PolarHBondContact O-N 3.36Å
55V70.1Confident84.1Confident65 Ų6539.9 Ų39.939%0.39421%0.209SC..G310 helixtrans-60.9-38177-174.90000112.1N57 L58 V69V55-N57 PolarHBondContact O-N 2.72Å; V55-N57 VanDerWaalsContact O-N 3.16Å; V55-L58 WeakPolarHBondContact O-CG 3.43Å; V55-L58 PolarHBondContact O-N 3.23Å; V55-V69 HydrophobicContact CG2-CG1 4.25Å; V55-V69 HydrophobicContact CG2-CG2 4.06Å
56S69.7Low83.5Confident49 Ų4946.3 Ų46.334%0.34324%0.237SC..G310 helixtrans-63.1-17.6178.667.10000113.2D54 N59 R60D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 3.46Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.07Å; D54-S56 PolarHBondContact OD1-OG 3.11Å; S56-N59 PolarHBondContact O-OD1 3.12Å; S56-R60 PolarHBondContact O-NH1 2.73Å
57N78Confident83.3Confident13 Ų1353 Ų537%0.0727%0.267CS..G310 helixtrans-78-26.4-179.6-61.8169.1000112.7D54 V55 N59 R60 Q61 K73D54-N57 PolarHBondContact N-OD1 3.4Å; D54-N57 VanDerWaalsContact O-CB 3.23Å; D54-N57 WeakPolarHBondContact O-CB 3.44Å; D54-N57 PolarHBondContact O-N 3.36Å; V55-N57 PolarHBondContact O-N 2.72Å; V55-N57 VanDerWaalsContact O-N 3.16Å; N57-N59 PolarHBondContact O-N 3.06Å; N57-N59 VanDerWaalsContact O-N 3.09Å; N57-R60 PolarHBondContact O-N 3.06Å; N57-R60 VanDerWaalsContact O-N 3.15Å; N57-Q61 HydrophobicContact CB-CB 4.43Å; N57-Q61 HydrophobicContact CB-CG 4.22Å; N57-Q61 VanDerWaalsContact CB-OE1 3.3Å; N57-Q61 WeakPolarHBondContact O-CB 3.25Å; N57-Q61 WeakPolarHBondContact O-CG 3.5Å; N57-Q61 PolarHBondContact O-N 2.97Å; N57-K73 WeakPolarHBondContact OD1-CE 3.45Å
58L78.9Confident82.8Confident52 Ų5253.5 Ų53.527%0.27227%0.268SS..THydrogen-bonded Turntrans-67-15.6-166.8-58.7-179.1000114.5I53 V55 R60 F64 K66I53-L58 HydrophobicContact CG2-CD2 4.34Å; V55-L58 WeakPolarHBondContact O-CG 3.43Å; V55-L58 PolarHBondContact O-N 3.23Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.42Å; L58-F64 HydrophobicContact CD2-CB 3.87Å; L58-K66 HydrophobicContact CD1-CB 4.24Å; L58-K66 HydrophobicContact CD1-CD 4.06Å
59N71.1Confident81.9Confident102 Ų10256.1 Ų56.155%0.54528%0.284SS..THydrogen-bonded Turntrans-75.6-16.1177.575.8-35.4000113.5S56 N57S56-N59 PolarHBondContact O-OD1 3.12Å; N57-N59 PolarHBondContact O-N 3.06Å; N57-N59 VanDerWaalsContact O-N 3.09Å
60R76.2Confident81.2Confident56 Ų5657.9 Ų57.921%0.21131%0.306CS..THydrogen-bonded Turntrans-146-6.1-170.470.9-168.9176.5-84.69.2115.7S56 N57 L58 A383 A385S56-R60 PolarHBondContact O-NH1 2.73Å; N57-R60 PolarHBondContact O-N 3.06Å; N57-R60 VanDerWaalsContact O-N 3.15Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.42Å; R60-A383 VanDerWaalsContact NE-CB 3.29Å; R60-A385 HydrophobicContact CB-CB 4.14Å
61Q85.5Confident81.3Confident9 Ų958.5 Ų58.54%0.04231%0.305CS..  trans-111.675.3178.1-58.8-177.77.500108.7N57 L63 F64N57-Q61 HydrophobicContact CB-CB 4.43Å; N57-Q61 HydrophobicContact CB-CG 4.22Å; N57-Q61 VanDerWaalsContact CB-OE1 3.3Å; N57-Q61 WeakPolarHBondContact O-CB 3.25Å; N57-Q61 WeakPolarHBondContact O-CG 3.5Å; N57-Q61 PolarHBondContact O-N 2.97Å; Q61-L63 PolarHBondContact O-N 2.67Å; Q61-L63 VanDerWaalsContact O-N 3.07Å; Q61-F64 HydrophobicContact CB-CD2 3.43Å; Q61-F64 VanDerWaalsContact CB-CD2 3.43Å; Q61-F64 HydrophobicContact CB-CE2 3.77Å; Q61-F64 HydrophobicContact CB-CG 4.37Å; Q61-F64 HydrophobicContact CG-CD2 4.39Å; Q61-F64 HydrophobicContact CG-CE2 4.41Å; Q61-F64 WeakPolarHBondContact O-CB 3.4Å; Q61-F64 PolarHBondContact O-N 3.48Å; Q61-F64 VanDerWaalsContact OE1-CD2 3.27Å
62F92.6Very high81.7Confident87 Ų8756 Ų5638%0.38229%0.293SS..THydrogen-bonded Turntrans-66.4-15.2-161.682.2-81.8000115.1C31 E32 K35 F64C31-F62 HydrophobicContact CB-CD1 4.13Å; C31-F62 HydrophobicContact CB-CE1 4.06Å; C31-F62 WeakPolarHBondContact O-CE1 3.45Å; E32-F62 HydrophobicContact CG-CD1 4.35Å; E32-F62 HydrophobicContact CG-CE1 4.33Å; E32-F62 VanDerWaalsContact OE1-CD1 3.3Å; E32-F62 WeakPolarHBondContact OE1-CD1 3.36Å; K35-F62 HydrophobicContact CB-CE1 4.31Å; K35-F62 HydrophobicContact CB-CZ 3.74Å; K35-F62 HydrophobicContact CD-CE1 4.33Å; K35-F62 HydrophobicContact CD-CE2 4.22Å; K35-F62 HydrophobicContact CD-CZ 3.65Å; K35-F62 HydrophobicContact CG-CZ 4.22Å; F62-F64 PolarHBondContact O-N 3.49Å
63L94Very high82.4Confident6 Ų653.4 Ų53.43%0.03128%0.276CS..THydrogen-bonded Turntrans-71.7-11.5173.5-64.7178.8000112.3C31 L34 Q61 A77 S80 F84C31-L63 HydrophobicContact CB-CB 4.46Å; C31-L63 HydrophobicContact CB-CD1 4Å; C31-L63 HydrophobicContact CB-CG 4.03Å; L34-L63 HydrophobicContact CD2-CD1 4.08Å; Q61-L63 PolarHBondContact O-N 2.67Å; Q61-L63 VanDerWaalsContact O-N 3.07Å; L63-A77 HydrophobicContact CD1-CB 3.92Å; L63-S80 PolarHBondContact O-OG 2.81Å; L63-F84 HydrophobicContact CD2-CE1 3.82Å; L63-F84 HydrophobicContact CD2-CZ 4.16Å
64F91.3Very high83.1Confident9 Ų953.3 Ų53.34%0.03928%0.275CS..  trans-105.4145.8-175.8-50.3-30.8000111.7A26 C31 I53 L58 Q61 F62 K73 V76 A77A26-F64 WeakPolarHBondContact O-CE2 3.38Å; A26-F64 WeakPolarHBondContact O-CZ 3.35Å; C31-F64 VanDerWaalsContact SG-CZ 3.59Å; I53-F64 HydrophobicContact CD1-CB 4.1Å; I53-F64 HydrophobicContact CD1-CD1 3.53Å; I53-F64 HydrophobicContact CD1-CD2 4.2Å; I53-F64 HydrophobicContact CD1-CE1 3.99Å; I53-F64 HydrophobicContact CD1-CG 3.67Å; I53-F64 HydrophobicContact CG1-CB 4.44Å; I53-F64 HydrophobicContact CG1-CD1 4.11Å; I53-F64 HydrophobicContact CG1-CD2 3.89Å; I53-F64 HydrophobicContact CG1-CE1 4.39Å; I53-F64 HydrophobicContact CG1-CE2 4.17Å; I53-F64 HydrophobicContact CG1-CG 3.88Å; I53-F64 HydrophobicContact CG1-CZ 4.43Å; I53-F64 HydrophobicContact CG2-CB 3.99Å; I53-F64 HydrophobicContact CG2-CD2 4.32Å; I53-F64 HydrophobicContact CG2-CG 4.26Å; L58-F64 HydrophobicContact CD2-CB 3.87Å; Q61-F64 HydrophobicContact CB-CD2 3.43Å; Q61-F64 VanDerWaalsContact CB-CD2 3.43Å; Q61-F64 HydrophobicContact CB-CE2 3.77Å; Q61-F64 HydrophobicContact CB-CG 4.37Å; Q61-F64 HydrophobicContact CG-CD2 4.39Å; Q61-F64 HydrophobicContact CG-CE2 4.41Å; Q61-F64 WeakPolarHBondContact O-CB 3.4Å; Q61-F64 PolarHBondContact O-N 3.48Å; Q61-F64 VanDerWaalsContact OE1-CD2 3.27Å; F62-F64 PolarHBondContact O-N 3.49Å; F64-K73 WeakPolarHBondContact CE1-O 3.41Å; F64-K73 HydrophobicContact CE2-CB 4.18Å; F64-K73 HydrophobicContact CE2-CD 4.39Å; F64-K73 HydrophobicContact CE2-CG 3.97Å; F64-K73 HydrophobicContact CZ-CB 3.84Å; F64-K73 HydrophobicContact CZ-CG 4.13Å; F64-V76 HydrophobicContact CD1-CB 4.2Å; F64-V76 HydrophobicContact CD1-CG1 3.72Å; F64-V76 HydrophobicContact CE1-CB 4.19Å; F64-V76 HydrophobicContact CE1-CG1 4.15Å; F64-A77 HydrophobicContact CE1-CB 3.96Å; F64-A77 HydrophobicContact CZ-CB 4.25Å
65Q90.5Very high84.4Confident91 Ų9154.6 Ų54.643%0.42528%0.28SS..  trans-130.8163-179.6-64.5178.613.600108.6K67 H68Q65-K67 HydrophobicContact CB-CG 4.21Å; Q65-K67 PolarHBondContact O-N 2.76Å; Q65-K67 VanDerWaalsContact OE1-NZ 3.17Å; Q65-H68 PolarHBondContact N-ND1 2.98Å; Q65-H68 VanDerWaalsContact N-ND1 3.18Å; Q65-H68 WeakPolarHBondContact O-CB 3.37Å; Q65-H68 PolarHBondContact O-N 3.45Å
66K87.5Confident85.7Confident134 Ų13451.7 Ų51.758%0.58326%0.262SS*.G310 helixtrans-54-33.5-179.6-171.667179.8-175.10113.6L58 H68 V69L58-K66 HydrophobicContact CD1-CB 4.24Å; L58-K66 HydrophobicContact CD1-CD 4.06Å; K66-H68 PolarHBondContact O-N 3.27Å; K66-V69 HydrophobicContact CD-CG2 4.25Å; K66-V69 VanDerWaalsContact O-CG2 3.31Å; K66-V69 WeakPolarHBondContact O-CG2 3.43Å; K66-V69 PolarHBondContact O-N 2.95Å
67K93Very high87Confident143 Ų14349.4 Ų49.462%0.62225%0.246SC*.G310 helixtrans-69.5-9.8176.772.8-173.7-175.6-167.70114.6Q65Q65-K67 HydrophobicContact CB-CG 4.21Å; Q65-K67 PolarHBondContact O-N 2.76Å; Q65-K67 VanDerWaalsContact OE1-NZ 3.17Å
68H88.4Confident88Confident12 Ų1251.7 Ų51.76%0.05626%0.256CS..G310 helixtrans-99.2-4.9-179.2-54.7153.4000113I53 Q65 K66 G70 K71 V76I53-H68 HydrophobicContact CD1-CB 3.65Å; Q65-H68 PolarHBondContact N-ND1 2.98Å; Q65-H68 VanDerWaalsContact N-ND1 3.18Å; Q65-H68 WeakPolarHBondContact O-CB 3.37Å; Q65-H68 PolarHBondContact O-N 3.45Å; K66-H68 PolarHBondContact O-N 3.27Å; H68-G70 PolarHBondContact O-N 2.8Å; H68-K71 VanDerWaalsContact O-CB 3.27Å; H68-K71 WeakPolarHBondContact O-CB 3.33Å; H68-K71 WeakPolarHBondContact O-CG 3.29Å; H68-K71 PolarHBondContact O-N 2.78Å; H68-V76 HydrophobicContact CB-CG1 3.97Å; H68-V76 HydrophobicContact CB-CG2 4.32Å; H68-V76 VanDerWaalsContact ND1-CG1 3.29Å; H68-V76 WeakPolarHBondContact ND1-CG1 3.38Å
69V77.7Confident88.9Confident57 Ų5754.1 Ų54.135%0.34527%0.265SS..THydrogen-bonded Turntrans-55.3133.7-179.9173.90000110.6I53 V55 K66 K71I53-V69 HydrophobicContact CG2-CG2 4.5Å; I53-V69 CarbonylContact O-C 3.58Å; I53-V69 WeakPolarHBondContact O-CA 3.22Å; V55-V69 HydrophobicContact CG2-CG1 4.25Å; V55-V69 HydrophobicContact CG2-CG2 4.06Å; K66-V69 HydrophobicContact CD-CG2 4.25Å; K66-V69 VanDerWaalsContact O-CG2 3.31Å; K66-V69 WeakPolarHBondContact O-CG2 3.43Å; K66-V69 PolarHBondContact O-N 2.95Å; V69-K71 VanDerWaalsContact C-N 3.33Å
70G76.2Confident90.2Very high53 Ų5349.7 Ų49.755%0.54624%0.243SC..THydrogen-bonded Turntrans82.4-3.1-175.500000115.4I53 H68I53-G70 PolarHBondContact O-N 3.47Å; H68-G70 PolarHBondContact O-N 2.8Å
71K84.6Confident91.2Very high107 Ų10747 Ų4747%0.46523%0.233SC..SBendtrans-91.7157.8173.5-58.3-174.1179.3-171.30111.3T52 I53 H68 V69 K73 V76T52-K71 CarbonylContact C-O 3.48Å; T52-K71 VanDerWaalsContact CA-O 3.23Å; T52-K71 WeakPolarHBondContact CA-O 3.09Å; T52-K71 WeakPolarHBondContact CB-O 3.25Å; I53-K71 WeakPolarHBondContact CG1-O 3.12Å; I53-K71 PolarHBondContact N-O 2.87Å; H68-K71 VanDerWaalsContact O-CB 3.27Å; H68-K71 WeakPolarHBondContact O-CB 3.33Å; H68-K71 WeakPolarHBondContact O-CG 3.29Å; H68-K71 PolarHBondContact O-N 2.78Å; V69-K71 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.17Å; K71-V76 HydrophobicContact CB-CG2 3.77Å; K71-V76 HydrophobicContact CD-CG2 4.14Å
72S88.1Confident91.8Very high13 Ų1349.1 Ų49.19%0.09124%0.244CC..BIsolated β-bridgetrans-54.6131.4174.2169.50000112.3A74 Q75 V76 H94S72-A74 PolarHBondContact OG-N 2.86Å; S72-Q75 PolarHBondContact OG-N 3.25Å; S72-V76 WeakPolarHBondContact O-CG2 3.46Å; S72-V76 PolarHBondContact O-N 2.99Å; S72-H94 WeakPolarHBondContact OG-CB 3.42Å; S72-H94 VanDerWaalsContact OG-CG 3.26Å
73K90.3Very high92Very high13 Ų1351.7 Ų51.76%0.05726%0.257CS..Hα-helixtrans-61.1-49.3174.7-70.5-178.3-173.3159.10111.6A26 D49 D51 T52 I53 N57 F64 K71 Q75 V76 A77A26-K73 HydrophobicContact CB-CB 4.02Å; D49-K73 HydrophobicContact CB-CB 4.25Å; D51-K73 HydrophobicContact CB-CD 3.79Å; D51-K73 HydrophobicContact CB-CG 4.41Å; D51-K73 PolarHBondContact O-N 3.5Å; D51-K73 IonicContact OD2-NZ 3.78Å; D51-K73 PolarHBondContact OD2-NZ 3.33Å; T52-K73 VanDerWaalsContact O-CE 3.27Å; T52-K73 WeakPolarHBondContact O-CE 3.42Å; I53-K73 HydrophobicContact CG1-CB 4.47Å; I53-K73 HydrophobicContact CG1-CG 3.78Å; N57-K73 WeakPolarHBondContact OD1-CE 3.45Å; F64-K73 WeakPolarHBondContact CE1-O 3.41Å; F64-K73 HydrophobicContact CE2-CB 4.18Å; F64-K73 HydrophobicContact CE2-CD 4.39Å; F64-K73 HydrophobicContact CE2-CG 3.97Å; F64-K73 HydrophobicContact CZ-CB 3.84Å; F64-K73 HydrophobicContact CZ-CG 4.13Å; K71-K73 PolarHBondContact O-N 3.17Å; K73-Q75 PolarHBondContact O-N 2.88Å; K73-V76 PolarHBondContact O-N 2.93Å; K73-A77 WeakPolarHBondContact O-CB 3.13Å; K73-A77 PolarHBondContact O-N 2.96Å
74A92.4Very high92.1Very high0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-60-44.8-177.700000112.5D49 S72 A77 K78 A92 Y93D49-A74 HydrophobicContact CB-CB 4.13Å; S72-A74 PolarHBondContact OG-N 2.86Å; A74-A77 PolarHBondContact O-N 2.99Å; A74-K78 PolarHBondContact O-N 2.91Å; A74-K78 VanDerWaalsContact O-N 3.12Å; A74-A92 HydrophobicContact CB-CB 4.22Å; A74-A92 WeakPolarHBondContact O-CB 3.19Å; A74-Y93 WeakPolarHBondContact CB-O 3.43Å
75Q97.4Very high92.2Very high76 Ų7654.2 Ų54.236%0.35527%0.268SS..Hα-helixtrans-67.7-46.9-179.2-69.5-66.64.800112.4S72 K73 A77 K78 E79 A92S72-Q75 PolarHBondContact OG-N 3.25Å; K73-Q75 PolarHBondContact O-N 2.88Å; Q75-A77 VanDerWaalsContact C-N 3.3Å; Q75-A77 PolarHBondContact O-N 2.87Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 2.91Å; Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 2.89Å; Q75-A92 HydrophobicContact CG-CB 4.48Å; Q75-A92 PolarHBondContact NE2-O 2.7Å
76V96.9Very high92.5Very high3 Ų354.7 Ų54.72%0.01828%0.28CS..Hα-helixtrans-66.9-34.6179.1176.30000111I53 F64 H68 K71 S72 K73 K78 E79 S80I53-V76 HydrophobicContact CD1-CB 3.72Å; I53-V76 HydrophobicContact CD1-CG1 3.84Å; I53-V76 HydrophobicContact CD1-CG2 3.78Å; F64-V76 HydrophobicContact CD1-CB 4.2Å; F64-V76 HydrophobicContact CD1-CG1 3.72Å; F64-V76 HydrophobicContact CE1-CB 4.19Å; F64-V76 HydrophobicContact CE1-CG1 4.15Å; H68-V76 HydrophobicContact CB-CG1 3.97Å; H68-V76 HydrophobicContact CB-CG2 4.32Å; H68-V76 VanDerWaalsContact ND1-CG1 3.29Å; H68-V76 WeakPolarHBondContact ND1-CG1 3.38Å; K71-V76 HydrophobicContact CB-CG2 3.77Å; K71-V76 HydrophobicContact CD-CG2 4.14Å; S72-V76 WeakPolarHBondContact O-CG2 3.46Å; S72-V76 PolarHBondContact O-N 2.99Å; K73-V76 PolarHBondContact O-N 2.93Å; V76-K78 VanDerWaalsContact C-N 3.35Å; V76-K78 PolarHBondContact O-N 2.61Å; V76-E79 PolarHBondContact O-N 3.07Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 2.84Å; V76-S80 PolarHBondContact O-OG 2.81Å
77A97.4Very high92.7Very high2 Ų252 Ų522%0.01728%0.277CS..Hα-helixtrans-60.5-45.6175.100000111.1A26 L34 L63 F64 K73 A74 Q75 A81A26-A77 HydrophobicContact CB-CB 4.44Å; L34-A77 HydrophobicContact CD2-CB 3.95Å; L63-A77 HydrophobicContact CD1-CB 3.92Å; F64-A77 HydrophobicContact CE1-CB 3.96Å; F64-A77 HydrophobicContact CZ-CB 4.25Å; K73-A77 WeakPolarHBondContact O-CB 3.13Å; K73-A77 PolarHBondContact O-N 2.96Å; A74-A77 PolarHBondContact O-N 2.99Å; Q75-A77 VanDerWaalsContact C-N 3.3Å; Q75-A77 PolarHBondContact O-N 2.87Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 2.78Å
78K98.4Very high92.9Very high61 Ų6145.7 Ų45.727%0.26525%0.252SS..Hα-helixtrans-57.8-53172.1164177.4176.3166.90111.9A74 Q75 V76 S80 A81 L82 I90 A92A74-K78 PolarHBondContact O-N 2.91Å; A74-K78 VanDerWaalsContact O-N 3.12Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 2.91Å; V76-K78 VanDerWaalsContact C-N 3.35Å; V76-K78 PolarHBondContact O-N 2.61Å; K78-S80 VanDerWaalsContact C-N 3.33Å; K78-S80 PolarHBondContact O-N 2.79Å; K78-A81 PolarHBondContact O-N 3.42Å; K78-L82 HydrophobicContact CG-CD1 3.88Å; K78-L82 HydrophobicContact CG-CG 4.48Å; K78-L82 VanDerWaalsContact O-CG 3.32Å; K78-L82 WeakPolarHBondContact O-CG 3.42Å; K78-L82 PolarHBondContact O-N 2.85Å; K78-I90 HydrophobicContact CB-CB 4.42Å; K78-I90 HydrophobicContact CB-CG2 3.84Å; K78-I90 HydrophobicContact CD-CB 4.32Å; K78-I90 HydrophobicContact CD-CG2 4.23Å; K78-I90 VanDerWaalsContact CD-O 3.3Å; K78-I90 WeakPolarHBondContact CD-O 3.26Å; K78-I90 WeakPolarHBondContact CE-O 3.5Å; K78-I90 HydrophobicContact CG-CB 4.03Å; K78-I90 HydrophobicContact CG-CG2 3.97Å; K78-I90 PolarHBondContact NZ-O 3.43Å; K78-A92 HydrophobicContact CB-CB 4Å; K78-A92 HydrophobicContact CD-CB 3.83Å
79E98.3Very high93.3Very high102 Ų10249.5 Ų49.548%0.47727%0.273SS..Hα-helixtrans-57.7-45.3-178.6-72.7174.7-174.100111.9Q75 V76 L82 Q83Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 2.89Å; V76-E79 PolarHBondContact O-N 3.07Å; E79-L82 PolarHBondContact O-N 2.78Å; E79-Q83 WeakPolarHBondContact O-CG 3.39Å; E79-Q83 PolarHBondContact O-N 2.83Å
80S97.9Very high94.3Very high10 Ų1047 Ų477%0.0726%0.257CS..Hα-helixtrans-65.7-42.1177.5-71.50000112L63 V76 K78 L82 Q83 F84L63-S80 PolarHBondContact O-OG 2.81Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 2.84Å; V76-S80 PolarHBondContact O-OG 2.81Å; K78-S80 VanDerWaalsContact C-N 3.33Å; K78-S80 PolarHBondContact O-N 2.79Å; S80-L82 PolarHBondContact O-N 2.86Å; S80-Q83 WeakPolarHBondContact O-CB 3.21Å; S80-Q83 PolarHBondContact O-N 2.88Å; S80-F84 WeakPolarHBondContact O-CD1 3.39Å; S80-F84 VanDerWaalsContact O-CE1 3.3Å; S80-F84 WeakPolarHBondContact O-CE1 3.42Å
81A97.6Very high95.4Very high0 Ų046.6 Ų46.60%025%0.245CC..Hα-helixtrans-62.3-41.5177.300000112.6L34 A77 K78 Q83 F84 C85 I90L34-A81 HydrophobicContact CD2-CB 3.92Å; L34-A81 HydrophobicContact CG-CB 4.15Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 2.78Å; K78-A81 PolarHBondContact O-N 3.42Å; A81-Q83 PolarHBondContact O-N 3.39Å; A81-F84 HydrophobicContact CB-CE1 4.49Å; A81-F84 HydrophobicContact CB-CZ 4.13Å; A81-F84 PolarHBondContact O-N 3.4Å; A81-C85 PolarHBondContact O-N 2.6Å; A81-I90 HydrophobicContact CB-CD1 3.69Å
82L97.7Very high96Very high52 Ų5242 Ų4227%0.27223%0.227SC..Hα-helixtrans-66.9-20.1178.7-69.6174.4000113.4K78 E79 S80 P86 A88 I90K78-L82 HydrophobicContact CG-CD1 3.88Å; K78-L82 HydrophobicContact CG-CG 4.48Å; K78-L82 VanDerWaalsContact O-CG 3.32Å; K78-L82 WeakPolarHBondContact O-CG 3.42Å; K78-L82 PolarHBondContact O-N 2.85Å; E79-L82 PolarHBondContact O-N 2.78Å; S80-L82 PolarHBondContact O-N 2.86Å; L82-P86 WeakPolarHBondContact O-CA 3.45Å; L82-P86 WeakPolarHBondContact O-CG 3.35Å; L82-A88 HydrophobicContact CD2-CB 4.4Å; L82-A88 VanDerWaalsContact CD2-O 3.3Å; L82-A88 WeakPolarHBondContact CD2-O 3.44Å; L82-I90 HydrophobicContact CD2-CD1 4.38Å; L82-I90 HydrophobicContact CG-CD1 4.44Å
83Q97.1Very high96.5Very high142 Ų14244.4 Ų44.466%0.66423%0.234SC*.Hα-helixtrans-66.5-37.4174.3-69.8170.73200112.3E79 S80 A81E79-Q83 WeakPolarHBondContact O-CG 3.39Å; E79-Q83 PolarHBondContact O-N 2.83Å; S80-Q83 WeakPolarHBondContact O-CB 3.21Å; S80-Q83 PolarHBondContact O-N 2.88Å; A81-Q83 PolarHBondContact O-N 3.39Å
84F94.8Very high96.6Very high60 Ų6048.2 Ų48.226%0.26325%0.252SS..Hα-helixtrans-103.6-16.5-17959.5-101.9000113.9K35 V38 L39 L63 S80 A81K35-F84 HydrophobicContact CB-CZ 4.22Å; K35-F84 HydrophobicContact CG-CE2 4.48Å; K35-F84 HydrophobicContact CG-CZ 4.48Å; V38-F84 HydrophobicContact CG2-CD2 4.39Å; V38-F84 HydrophobicContact CG2-CE2 3.6Å; V38-F84 HydrophobicContact CG2-CZ 4.43Å; L39-F84 HydrophobicContact CD2-CD2 4.31Å; L63-F84 HydrophobicContact CD2-CE1 3.82Å; L63-F84 HydrophobicContact CD2-CZ 4.16Å; S80-F84 WeakPolarHBondContact O-CD1 3.39Å; S80-F84 VanDerWaalsContact O-CE1 3.3Å; S80-F84 WeakPolarHBondContact O-CE1 3.42Å; A81-F84 HydrophobicContact CB-CE1 4.49Å; A81-F84 HydrophobicContact CB-CZ 4.13Å; A81-F84 PolarHBondContact O-N 3.4Å
85C94.9Very high96.6Very high7 Ų750.6 Ų50.65%0.04727%0.265CS..  trans-136.374.8171.7-167.10000112V38 A81 S87 A88V38-C85 HydrophobicContact CB-CB 4.01Å; V38-C85 HydrophobicContact CG2-CB 3.91Å; A81-C85 PolarHBondContact O-N 2.6Å; C85-S87 PolarHBondContact O-N 3.33Å; C85-S87 VanDerWaalsContact O-N 3.11Å; C85-A88 PolarHBondContact O-N 2.89Å
86P95.5Very high96.2Very high102 Ų10248.6 Ų48.666%0.66226%0.259SS*.THydrogen-bonded Turntrans-64.4-16.5-176.5-20.630.7000115.3L82 A88L82-P86 WeakPolarHBondContact O-CA 3.45Å; L82-P86 WeakPolarHBondContact O-CG 3.35Å; P86-A88 VanDerWaalsContact C-N 3.32Å
87S93.2Very high95.9Very high76 Ų7648.8 Ų48.853%0.53126%0.26SS..THydrogen-bonded Turntrans-82.2-6.7179.754.10000114C85C85-S87 PolarHBondContact O-N 3.33Å; C85-S87 VanDerWaalsContact O-N 3.11Å
88A95.6Very high95.4Very high11 Ų1152.2 Ų52.29%0.09128%0.277CS..  trans-75.2142.7176.200000110.9V38 L82 C85 P86 I90V38-A88 HydrophobicContact CB-CB 4.36Å; V38-A88 HydrophobicContact CG1-CB 3.78Å; L82-A88 HydrophobicContact CD2-CB 4.4Å; L82-A88 VanDerWaalsContact CD2-O 3.3Å; L82-A88 WeakPolarHBondContact CD2-O 3.44Å; C85-A88 PolarHBondContact O-N 2.89Å; P86-A88 VanDerWaalsContact C-N 3.32Å; A88-I90 HydrophobicContact CB-CD1 4.16Å; A88-I90 HydrophobicContact CB-CG1 4.06Å
89N97.9Very high94.8Very high92 Ų9251.5 Ų51.549%0.49228%0.276SS..EExtended strand (participates in β ladder)trans-103.397.2172.6-179.927.3000108.8K43 N44 I45K43-N89 CarbonylContact O-C 3.33Å; K43-N89 WeakPolarHBondContact O-CA 3.47Å; K43-N89 WeakPolarHBondContact O-CB 3.41Å; K43-N89 PolarHBondContact O-N 2.84Å; K43-N89 VanDerWaalsContact O-O 3.05Å; N44-N89 WeakPolarHBondContact CA-O 3.44Å; N44-N89 PolarHBondContact OD1-ND2 3.27Å; I45-N89 PolarHBondContact N-O 2.99Å
90I98.6Very high94.1Very high4 Ų450.2 Ų50.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-110.4122.9-175.9-54.4169.9000110.2L34 V38 I45 V47 K78 A81 L82 A88L34-I90 HydrophobicContact CD1-CD1 4.15Å; V38-I90 HydrophobicContact CG1-CD1 4.24Å; I45-I90 HydrophobicContact CB-CG1 4.49Å; I45-I90 CarbonylContact O-C 3.49Å; I45-I90 VanDerWaalsContact O-CA 3.23Å; I45-I90 WeakPolarHBondContact O-CA 3.34Å; V47-I90 HydrophobicContact CG2-CG2 4.15Å; K78-I90 HydrophobicContact CB-CB 4.42Å; K78-I90 HydrophobicContact CB-CG2 3.84Å; K78-I90 HydrophobicContact CD-CB 4.32Å; K78-I90 HydrophobicContact CD-CG2 4.23Å; K78-I90 VanDerWaalsContact CD-O 3.3Å; K78-I90 WeakPolarHBondContact CD-O 3.26Å; K78-I90 WeakPolarHBondContact CE-O 3.5Å; K78-I90 HydrophobicContact CG-CB 4.03Å; K78-I90 HydrophobicContact CG-CG2 3.97Å; K78-I90 PolarHBondContact NZ-O 3.43Å; A81-I90 HydrophobicContact CB-CD1 3.69Å; L82-I90 HydrophobicContact CD2-CD1 4.38Å; L82-I90 HydrophobicContact CG-CD1 4.44Å; A88-I90 HydrophobicContact CB-CD1 4.16Å; A88-I90 HydrophobicContact CB-CG1 4.06Å
91T98.7Very high93.6Very high46 Ų4655.5 Ų55.528%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-99.6126.8168.9-44.10000108.7I45 D46 V47 Y93I45-T91 PolarHBondContact O-N 3.45Å; D46-T91 CarbonylContact C-O 3.59Å; D46-T91 WeakPolarHBondContact CA-O 3.41Å; D46-T91 WeakPolarHBondContact OD1-CB 3.44Å; D46-T91 PolarHBondContact OD1-OG1 3.4Å; D46-T91 VanDerWaalsContact OD1-OG1 3.12Å; V47-T91 PolarHBondContact N-O 2.82Å; T91-Y93 HydrophobicContact CG2-CD2 4.49Å; T91-Y93 HydrophobicContact CG2-CE1 4.12Å; T91-Y93 HydrophobicContact CG2-CE2 3.69Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.48Å; T91-Y93 WeakPolarHBondContact CG2-OH 3.45Å
92A98.4Very high93.4Very high11 Ų1156.5 Ų56.59%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-116.4127.7-177.700000110.1V47 A74 Q75 K78V47-A92 CarbonylContact O-C 3.59Å; V47-A92 WeakPolarHBondContact O-CA 3.4Å; A74-A92 HydrophobicContact CB-CB 4.22Å; A74-A92 WeakPolarHBondContact O-CB 3.19Å; Q75-A92 HydrophobicContact CG-CB 4.48Å; Q75-A92 PolarHBondContact NE2-O 2.7Å; K78-A92 HydrophobicContact CB-CB 4Å; K78-A92 HydrophobicContact CD-CB 3.83Å
93Y97.4Very high93Very high62 Ų6257.1 Ų57.124%0.24331%0.312CS..EExtended strand (participates in β ladder)trans-113.7122.4178.3-57-82.6000108.9D46 V47 I48 D49 A74 T91 D95 Y102 F106D46-Y93 HydrophobicContact CB-CE2 3.96Å; D46-Y93 PolarHBondContact OD2-OH 3.47Å; V47-Y93 PolarHBondContact O-N 3.19Å; I48-Y93 WeakPolarHBondContact CA-O 3.33Å; I48-Y93 HydrophobicContact CB-CD2 4.43Å; D49-Y93 PolarHBondContact N-O 3.35Å; D49-Y93 VanDerWaalsContact N-O 3.11Å; A74-Y93 WeakPolarHBondContact CB-O 3.43Å; T91-Y93 HydrophobicContact CG2-CD2 4.49Å; T91-Y93 HydrophobicContact CG2-CE1 4.12Å; T91-Y93 HydrophobicContact CG2-CE2 3.69Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.48Å; T91-Y93 WeakPolarHBondContact CG2-OH 3.45Å; Y93-D95 PolarHBondContact O-N 3.02Å; Y93-Y102 HydrophobicContact CD1-CE1 4.21Å; Y93-Y102 HydrophobicContact CE1-CE1 4.49Å; Y93-Y102 HydrophobicContact CG-CE1 4.42Å; Y93-F106 HydrophobicContact CE2-CE2 4.41Å; Y93-F106 HydrophobicContact CE2-CZ 4.45Å
94H93.6Very high92.8Very high93 Ų9351 Ų5143%0.43128%0.284SS..EExtended strand (participates in β ladder)trans-97.179.4171.1-175.6-155.7000107.9D49 L50 S72D49-H94 CarbonylContact O-C 3.59Å; D49-H94 VanDerWaalsContact O-CA 3.31Å; D49-H94 WeakPolarHBondContact O-CA 3.4Å; D49-H94 PolarHBondContact O-CD2 3.17Å; L50-H94 PolarHBondContact O-NE2 2.98Å; S72-H94 WeakPolarHBondContact OG-CB 3.42Å; S72-H94 VanDerWaalsContact OG-CG 3.26Å
95D91.4Very high92.8Very high51 Ų5153.2 Ų53.227%0.27330%0.295SS..SBendtrans-161.4164.8-172.1-154.2-11.6000110.4I48 D49 L50 Y93 N99 Y102I48-D95 HydrophobicContact CD1-CB 4.37Å; I48-D95 VanDerWaalsContact CG1-O 3.24Å; I48-D95 WeakPolarHBondContact CG1-O 3.18Å; D49-D95 CarbonylContact C-O 3.55Å; D49-D95 PolarHBondContact O-N 3.13Å; D49-D95 VanDerWaalsContact O-N 3.17Å; L50-D95 WeakPolarHBondContact CA-O 3.32Å; L50-D95 PolarHBondContact N-O 2.98Å; Y93-D95 PolarHBondContact O-N 3.02Å; D95-N99 PolarHBondContact OD2-ND2 3.12Å; D95-Y102 HydrophobicContact CB-CE2 3.98Å; D95-Y102 WeakPolarHBondContact CB-OH 3.4Å; D95-Y102 PolarHBondContact OD2-OH 3.08Å
96S88.9Confident92.8Very high34 Ų3453.4 Ų53.424%0.23830%0.295CS..  trans-77.9133.9169.6-178.80000110.4M98 N99 Y102S96-M98 PolarHBondContact O-N 3.37Å; S96-M98 VanDerWaalsContact O-N 3.11Å; S96-M98 PolarHBondContact OG-N 2.94Å; S96-N99 VanDerWaalsContact O-CB 3.28Å; S96-N99 WeakPolarHBondContact O-CB 3.06Å; S96-N99 PolarHBondContact O-N 3.16Å; S96-Y102 VanDerWaalsContact O-CD2 3.32Å; S96-Y102 WeakPolarHBondContact O-CD2 3.22Å; S96-Y102 VanDerWaalsContact O-CE2 3.24Å; S96-Y102 WeakPolarHBondContact O-CE2 3.31Å
97I90.5Very high92.9Very high7 Ų748.5 Ų48.54%0.03626%0.263CS..THydrogen-bonded Turntrans-62.2-17.8172.7-168.453000112.8V24 I48 N99 Y102 F106 F107 A122 H125 V126V24-I97 HydrophobicContact CG1-CB 3.85Å; V24-I97 HydrophobicContact CG1-CG1 3.92Å; V24-I97 HydrophobicContact CG1-CG2 3.87Å; I48-I97 HydrophobicContact CD1-CB 4.3Å; I48-I97 HydrophobicContact CD1-CD1 4.15Å; I48-I97 HydrophobicContact CG2-CD1 4.25Å; I97-N99 VanDerWaalsContact C-N 3.27Å; I97-Y102 HydrophobicContact CD1-CD2 4.4Å; I97-Y102 HydrophobicContact CD1-CG 4.09Å; I97-F106 HydrophobicContact CD1-CE1 4.25Å; I97-F107 HydrophobicContact CD1-CE2 4.04Å; I97-F107 HydrophobicContact CD1-CZ 3.77Å; I97-F107 HydrophobicContact CG1-CZ 3.98Å; I97-A122 HydrophobicContact CG2-CB 4.23Å; I97-H125 PolarHBondContact O-NE2 2.95Å; I97-V126 HydrophobicContact CG1-CG2 3.84Å; I97-V126 HydrophobicContact CG2-CG2 3.96Å
98M86.7Confident93.1Very high74 Ų7450.7 Ų50.737%0.36526%0.26SS..THydrogen-bonded Turntrans-81.5-3.9177.2-57.51766600113S96 A122 H125S96-M98 PolarHBondContact O-N 3.37Å; S96-M98 VanDerWaalsContact O-N 3.11Å; S96-M98 PolarHBondContact OG-N 2.94Å; M98-A122 HydrophobicContact SD-CB 4.4Å; M98-H125 HydrophobicContact CG-CB 4.15Å
99N86.3Confident93.2Very high45 Ų4556 Ų5624%0.24128%0.281CS..SBendtrans-61.9130.6173.3-179.5-21.4000109.5D95 S96 I97 D101 Y102D95-N99 PolarHBondContact OD2-ND2 3.12Å; S96-N99 VanDerWaalsContact O-CB 3.28Å; S96-N99 WeakPolarHBondContact O-CB 3.06Å; S96-N99 PolarHBondContact O-N 3.16Å; I97-N99 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact O-N 3.1Å; N99-D101 PolarHBondContact OD1-N 3.13Å; N99-D101 VanDerWaalsContact OD1-N 3.1Å; N99-Y102 HydrophobicContact CB-CD2 3.79Å; N99-Y102 HydrophobicContact CB-CE2 3.82Å; N99-Y102 WeakPolarHBondContact O-CD2 3.37Å; N99-Y102 PolarHBondContact O-N 2.93Å
100P83.4Confident93.2Very high76 Ų7651.8 Ų51.849%0.49426%0.258SS..G310 helixtrans-52-22.6179.3-29.735.8000115.9Y102 N103 L520P100-Y102 PolarHBondContact O-N 3.42Å; P100-N103 PolarHBondContact O-N 2.86Å; P100-L520 HydrophobicContact CB-CD1 4.48Å
101D88.5Confident93.2Very high121 Ų12156.1 Ų56.165%0.64728%0.279SS*.G310 helixtrans-58.8-25.4173.8-75.5-16.7000113N99 N103N99-D101 PolarHBondContact O-N 3.1Å; N99-D101 PolarHBondContact OD1-N 3.13Å; N99-D101 VanDerWaalsContact OD1-N 3.1Å; D101-N103 VanDerWaalsContact C-N 3.3Å; D101-N103 PolarHBondContact O-N 2.78Å
102Y92.8Very high93.1Very high20 Ų2053.9 Ų53.98%0.07827%0.266CS..G310 helixtrans-93.746.1179.2-53.3-63.5000112.6I48 Y93 D95 S96 I97 N99 P100 F106 F107I48-Y102 HydrophobicContact CD1-CD1 4.45Å; I48-Y102 HydrophobicContact CD1-CD2 3.95Å; I48-Y102 HydrophobicContact CD1-CE1 4Å; I48-Y102 HydrophobicContact CD1-CE2 3.44Å; I48-Y102 VanDerWaalsContact CD1-CE2 3.44Å; I48-Y102 HydrophobicContact CD1-CG 4.43Å; I48-Y102 VanDerWaalsContact CD1-CZ 3.47Å; Y93-Y102 HydrophobicContact CD1-CE1 4.21Å; Y93-Y102 HydrophobicContact CE1-CE1 4.49Å; Y93-Y102 HydrophobicContact CG-CE1 4.42Å; D95-Y102 HydrophobicContact CB-CE2 3.98Å; D95-Y102 WeakPolarHBondContact CB-OH 3.4Å; D95-Y102 PolarHBondContact OD2-OH 3.08Å; S96-Y102 VanDerWaalsContact O-CD2 3.32Å; S96-Y102 WeakPolarHBondContact O-CD2 3.22Å; S96-Y102 VanDerWaalsContact O-CE2 3.24Å; S96-Y102 WeakPolarHBondContact O-CE2 3.31Å; I97-Y102 HydrophobicContact CD1-CD2 4.4Å; I97-Y102 HydrophobicContact CD1-CG 4.09Å; N99-Y102 HydrophobicContact CB-CD2 3.79Å; N99-Y102 HydrophobicContact CB-CE2 3.82Å; N99-Y102 WeakPolarHBondContact O-CD2 3.37Å; N99-Y102 PolarHBondContact O-N 2.93Å; P100-Y102 PolarHBondContact O-N 3.42Å; Y102-F106 AromaticContact CD1-CD1 3.86Å; Y102-F106 HydrophobicContact CD1-CD1 3.86Å; Y102-F106 AromaticContact CD1-CD2 3.95Å; Y102-F106 HydrophobicContact CD1-CD2 3.95Å; Y102-F106 AromaticContact CD1-CE1 3.73Å; Y102-F106 HydrophobicContact CD1-CE1 3.73Å; Y102-F106 AromaticContact CD1-CE2 3.85Å; Y102-F106 HydrophobicContact CD1-CE2 3.85Å; Y102-F106 AromaticContact CD1-CG 3.96Å; Y102-F106 HydrophobicContact CD1-CG 3.96Å; Y102-F106 AromaticContact CD1-CZ 3.73Å; Y102-F106 HydrophobicContact CD1-CZ 3.73Å; Y102-F106 HydrophobicContact CE1-CE2 4.2Å; Y102-F106 HydrophobicContact CE1-CZ 4.19Å; Y102-F106 HydrophobicContact CG-CD1 4.32Å; Y102-F106 HydrophobicContact CG-CE1 4.35Å; Y102-F107 WeakPolarHBondContact O-CD2 3.4Å; Y102-F107 VanDerWaalsContact O-CE2 3.26Å; Y102-F107 WeakPolarHBondContact O-CE2 3.31Å
103N89.8Confident93.2Very high66 Ų6653.4 Ų53.435%0.35326%0.262SS..  trans-66.4-177.7179.364.532.6000114.4P100 D101 E105 F106 F107P100-N103 PolarHBondContact O-N 2.86Å; D101-N103 VanDerWaalsContact C-N 3.3Å; D101-N103 PolarHBondContact O-N 2.78Å; N103-E105 PolarHBondContact O-N 2.91Å; N103-E105 VanDerWaalsContact O-N 3.1Å; N103-E105 WeakPolarHBondContact OD1-CB 3.36Å; N103-E105 PolarHBondContact OD1-N 2.91Å; N103-F106 WeakPolarHBondContact O-CA 3.28Å; N103-F106 VanDerWaalsContact O-CB 3.28Å; N103-F106 WeakPolarHBondContact O-CB 3.29Å; N103-F106 PolarHBondContact O-N 2.98Å; N103-F106 PolarHBondContact OD1-N 3.24Å; N103-F106 VanDerWaalsContact OD1-N 3.17Å; N103-F107 PolarHBondContact O-N 3.47Å
104V91.8Very high93.2Very high14 Ų1450.5 Ų50.59%0.08525%0.25CS..Hα-helixtrans-54.1-35.4-178.9-1770000112.2F106 F107 R108 M129 A132 A133V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3Å; V104-F107 PolarHBondContact O-N 2.9Å; V104-F107 VanDerWaalsContact O-N 3.16Å; V104-R108 HydrophobicContact CG1-CG 4.39Å; V104-R108 WeakPolarHBondContact O-CG 3.36Å; V104-R108 PolarHBondContact O-N 2.82Å; V104-M129 HydrophobicContact CB-CE 4.43Å; V104-M129 HydrophobicContact CG2-CE 3.78Å; V104-A132 HydrophobicContact CG1-CB 4.18Å; V104-A132 HydrophobicContact CG2-CB 3.79Å; V104-A133 HydrophobicContact CG1-CB 4.05Å
105E94Very high93.5Very high106 Ų10646 Ų4650%0.49523%0.23SC..Hα-helixtrans-73.5-24.9178.7-49.5-53.6-178.200113.9N103 R108 K109N103-E105 PolarHBondContact O-N 2.91Å; N103-E105 VanDerWaalsContact O-N 3.1Å; N103-E105 WeakPolarHBondContact OD1-CB 3.36Å; N103-E105 PolarHBondContact OD1-N 2.91Å; E105-R108 IonicContact OE1-CZ 3.72Å; E105-R108 IonicContact OE1-NH1 2.66Å; E105-R108 PolarHBondContact OE1-NH1 3.42Å; E105-R108 WeakPolarHBondContact OE2-CD 3.13Å; E105-R108 IonicContact OE2-CZ 3.55Å; E105-R108 IonicContact OE2-NE 2.87Å; E105-R108 IonicContact OE2-NH1 3.04Å; E105-R108 PolarHBondContact OE2-NH1 2.91Å; E105-K109 WeakPolarHBondContact O-CE 3.43Å; E105-K109 WeakPolarHBondContact O-CG 3.49Å
106F96.6Very high93.6Very high10 Ų1044.1 Ų44.14%0.04422%0.221CC..Hα-helixtrans-65-49165.3172.8-98.6000110.5L22 Y93 I97 Y102 N103 V104 R108 K109 F110L22-F106 HydrophobicContact CD1-CE1 4.24Å; L22-F106 HydrophobicContact CD1-CZ 4.09Å; L22-F106 HydrophobicContact CD2-CE1 3.75Å; L22-F106 HydrophobicContact CD2-CZ 4.4Å; Y93-F106 HydrophobicContact CE2-CE2 4.41Å; Y93-F106 HydrophobicContact CE2-CZ 4.45Å; I97-F106 HydrophobicContact CD1-CE1 4.25Å; Y102-F106 AromaticContact CD1-CD1 3.86Å; Y102-F106 HydrophobicContact CD1-CD1 3.86Å; Y102-F106 AromaticContact CD1-CD2 3.95Å; Y102-F106 HydrophobicContact CD1-CD2 3.95Å; Y102-F106 AromaticContact CD1-CE1 3.73Å; Y102-F106 HydrophobicContact CD1-CE1 3.73Å; Y102-F106 AromaticContact CD1-CE2 3.85Å; Y102-F106 HydrophobicContact CD1-CE2 3.85Å; Y102-F106 AromaticContact CD1-CG 3.96Å; Y102-F106 HydrophobicContact CD1-CG 3.96Å; Y102-F106 AromaticContact CD1-CZ 3.73Å; Y102-F106 HydrophobicContact CD1-CZ 3.73Å; Y102-F106 HydrophobicContact CE1-CE2 4.2Å; Y102-F106 HydrophobicContact CE1-CZ 4.19Å; Y102-F106 HydrophobicContact CG-CD1 4.32Å; Y102-F106 HydrophobicContact CG-CE1 4.35Å; N103-F106 WeakPolarHBondContact O-CA 3.28Å; N103-F106 VanDerWaalsContact O-CB 3.28Å; N103-F106 WeakPolarHBondContact O-CB 3.29Å; N103-F106 PolarHBondContact O-N 2.98Å; N103-F106 PolarHBondContact OD1-N 3.24Å; N103-F106 VanDerWaalsContact OD1-N 3.17Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3Å; F106-R108 PolarHBondContact O-N 3.35Å; F106-K109 WeakPolarHBondContact O-CB 3.4Å; F106-K109 WeakPolarHBondContact O-CG 3.33Å; F106-K109 PolarHBondContact O-N 3.24Å; F106-F110 AromaticContact CD1-CE2 3.98Å; F106-F110 HydrophobicContact CD1-CE2 3.98Å; F106-F110 HydrophobicContact CD2-CE2 4.37Å; F106-F110 AromaticContact CE1-CE2 3.61Å; F106-F110 HydrophobicContact CE1-CE2 3.61Å; F106-F110 HydrophobicContact CE1-CZ 4.12Å; F106-F110 HydrophobicContact CE2-CE2 4.02Å; F106-F110 AromaticContact CE2-CZ 3.94Å; F106-F110 HydrophobicContact CE2-CZ 3.94Å; F106-F110 HydrophobicContact CG-CE2 4.34Å; F106-F110 AromaticContact CZ-CE2 3.63Å; F106-F110 HydrophobicContact CZ-CE2 3.63Å; F106-F110 AromaticContact CZ-CZ 3.65Å; F106-F110 HydrophobicContact CZ-CZ 3.65Å; F106-F110 WeakPolarHBondContact O-CD2 3.46Å; F106-F110 VanDerWaalsContact O-CE2 3.23Å; F106-F110 WeakPolarHBondContact O-CE2 3.26Å
107F97.5Very high93.6Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-63.9-37.6-178.5-82.9-96.4000113.5L22 I97 Y102 N103 V104 K109 F110 V113 V126 M129 A133L22-F107 HydrophobicContact CD2-CD1 4.37Å; L22-F107 HydrophobicContact CD2-CE1 3.96Å; L22-F107 HydrophobicContact CD2-CZ 4.33Å; I97-F107 HydrophobicContact CD1-CE2 4.04Å; I97-F107 HydrophobicContact CD1-CZ 3.77Å; I97-F107 HydrophobicContact CG1-CZ 3.98Å; Y102-F107 WeakPolarHBondContact O-CD2 3.4Å; Y102-F107 VanDerWaalsContact O-CE2 3.26Å; Y102-F107 WeakPolarHBondContact O-CE2 3.31Å; N103-F107 PolarHBondContact O-N 3.47Å; V104-F107 PolarHBondContact O-N 2.9Å; V104-F107 VanDerWaalsContact O-N 3.16Å; F107-K109 PolarHBondContact O-N 2.92Å; F107-F110 WeakPolarHBondContact O-CD2 3.27Å; F107-F110 PolarHBondContact O-N 3.23Å; F107-F110 VanDerWaalsContact O-N 3.1Å; F107-V113 HydrophobicContact CD1-CG2 4.04Å; F107-V113 HydrophobicContact CE1-CG1 4.35Å; F107-V113 HydrophobicContact CE1-CG2 4.34Å; F107-V126 HydrophobicContact CE1-CG1 4.13Å; F107-V126 HydrophobicContact CZ-CG2 4.48Å; F107-M129 HydrophobicContact CD1-CB 3.97Å; F107-M129 HydrophobicContact CD2-CB 3.67Å; F107-M129 HydrophobicContact CD2-CE 4.02Å; F107-M129 HydrophobicContact CD2-CG 4.17Å; F107-M129 HydrophobicContact CE1-CB 3.85Å; F107-M129 HydrophobicContact CE2-CB 3.53Å; F107-M129 HydrophobicContact CE2-CE 4.24Å; F107-M129 HydrophobicContact CE2-CG 3.74Å; F107-M129 HydrophobicContact CG-CB 3.88Å; F107-M129 HydrophobicContact CZ-CB 3.62Å; F107-M129 HydrophobicContact CZ-CG 4.06Å; F107-A133 HydrophobicContact CB-CB 3.64Å
108R96.9Very high93.2Very high121 Ų12149.2 Ų49.246%0.45725%0.246SC..THydrogen-bonded Turntrans-61.7-13.6177.7-73.9-173.7-169.9137.91.7114.6V104 E105 F106 F110 A133V104-R108 HydrophobicContact CG1-CG 4.39Å; V104-R108 WeakPolarHBondContact O-CG 3.36Å; V104-R108 PolarHBondContact O-N 2.82Å; E105-R108 IonicContact OE1-CZ 3.72Å; E105-R108 IonicContact OE1-NH1 2.66Å; E105-R108 PolarHBondContact OE1-NH1 3.42Å; E105-R108 WeakPolarHBondContact OE2-CD 3.13Å; E105-R108 IonicContact OE2-CZ 3.55Å; E105-R108 IonicContact OE2-NE 2.87Å; E105-R108 IonicContact OE2-NH1 3.04Å; E105-R108 PolarHBondContact OE2-NH1 2.91Å; F106-R108 PolarHBondContact O-N 3.35Å; R108-F110 PolarHBondContact O-N 3.49Å; R108-A133 HydrophobicContact CG-CB 3.79Å
109K97.4Very high92.8Very high122 Ų12248.4 Ų48.453%0.5324%0.243SC..THydrogen-bonded Turntrans-72.2-16175.8-63.2166.4-171.8165.60113E105 F106 F107E105-K109 WeakPolarHBondContact O-CE 3.43Å; E105-K109 WeakPolarHBondContact O-CG 3.49Å; F106-K109 WeakPolarHBondContact O-CB 3.4Å; F106-K109 WeakPolarHBondContact O-CG 3.33Å; F106-K109 PolarHBondContact O-N 3.24Å; F107-K109 PolarHBondContact O-N 2.92Å
110F98.3Very high92.7Very high4 Ų450 Ų502%0.01825%0.245CC..  trans-105.4145.7-172.2-54.9-73.3000111.5K20 V21 L22 D46 F106 F107 R108 V113 I135K20-F110 HydrophobicContact CB-CD1 4.3Å; K20-F110 HydrophobicContact CD-CD1 3.98Å; K20-F110 HydrophobicContact CD-CE1 3.8Å; K20-F110 HydrophobicContact CG-CD1 3.81Å; K20-F110 HydrophobicContact CG-CE1 3.93Å; K20-F110 CarbonylContact O-C 3.56Å; K20-F110 WeakPolarHBondContact O-CA 3.41Å; V21-F110 VanDerWaalsContact C-CD1 3.47Å; L22-F110 HydrophobicContact CB-CB 4.48Å; L22-F110 HydrophobicContact CB-CD1 3.8Å; L22-F110 HydrophobicContact CB-CD2 3.85Å; L22-F110 HydrophobicContact CB-CE1 3.91Å; L22-F110 HydrophobicContact CB-CE2 3.97Å; L22-F110 HydrophobicContact CB-CG 3.76Å; L22-F110 HydrophobicContact CB-CZ 3.99Å; L22-F110 HydrophobicContact CD1-CE1 4.48Å; L22-F110 HydrophobicContact CD1-CE2 4.33Å; L22-F110 HydrophobicContact CD1-CZ 4.03Å; L22-F110 HydrophobicContact CD2-CD2 4.15Å; L22-F110 HydrophobicContact CD2-CE2 3.94Å; L22-F110 HydrophobicContact CD2-CZ 4.46Å; L22-F110 HydrophobicContact CG-CE2 4.31Å; L22-F110 HydrophobicContact CG-CZ 4.39Å; D46-F110 HydrophobicContact CB-CE1 3.64Å; D46-F110 HydrophobicContact CB-CZ 3.86Å; D46-F110 WeakPolarHBondContact OD2-CE1 3.44Å; D46-F110 WeakPolarHBondContact OD2-CZ 3.43Å; F106-F110 AromaticContact CD1-CE2 3.98Å; F106-F110 HydrophobicContact CD1-CE2 3.98Å; F106-F110 HydrophobicContact CD2-CE2 4.37Å; F106-F110 AromaticContact CE1-CE2 3.61Å; F106-F110 HydrophobicContact CE1-CE2 3.61Å; F106-F110 HydrophobicContact CE1-CZ 4.12Å; F106-F110 HydrophobicContact CE2-CE2 4.02Å; F106-F110 AromaticContact CE2-CZ 3.94Å; F106-F110 HydrophobicContact CE2-CZ 3.94Å; F106-F110 HydrophobicContact CG-CE2 4.34Å; F106-F110 AromaticContact CZ-CE2 3.63Å; F106-F110 HydrophobicContact CZ-CE2 3.63Å; F106-F110 AromaticContact CZ-CZ 3.65Å; F106-F110 HydrophobicContact CZ-CZ 3.65Å; F106-F110 WeakPolarHBondContact O-CD2 3.46Å; F106-F110 VanDerWaalsContact O-CE2 3.23Å; F106-F110 WeakPolarHBondContact O-CE2 3.26Å; F107-F110 WeakPolarHBondContact O-CD2 3.27Å; F107-F110 PolarHBondContact O-N 3.23Å; F107-F110 VanDerWaalsContact O-N 3.1Å; R108-F110 PolarHBondContact O-N 3.49Å; F110-V113 HydrophobicContact CB-CG2 4.47Å; F110-I135 WeakPolarHBondContact O-CD1 3.36Å
111M97.7Very high92.7Very high95 Ų9549.1 Ų49.147%0.46824%0.244SC..SBendtrans-85.7-22171.2-66.9-173.46900112.4C19 K20 L403C19-M111 HydrophobicContact CB-CB 4.4Å; C19-M111 HydrophobicContact CB-CG 4.3Å; C19-M111 HydrophobicContact CB-SD 3.42Å; C19-M111 WeakPolarHBondContact CB-SD 3.42Å; K20-M111 PolarHBondContact O-N 2.73Å; M111-L403 HydrophobicContact CB-CD2 4.4Å; M111-L403 HydrophobicContact CE-CD2 4.1Å
112L98.3Very high92.6Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-154135.5-176.9-176.763.6000109.5V21 L22 M114 P136 I138 I402V21-L112 WeakPolarHBondContact CA-O 3.33Å; V21-L112 HydrophobicContact CG1-CB 4.03Å; L22-L112 PolarHBondContact N-O 3.42Å; L22-L112 VanDerWaalsContact N-O 3.07Å; L112-M114 HydrophobicContact CD2-CE 4.06Å; L112-M114 HydrophobicContact CD2-CG 4.2Å; L112-M114 HydrophobicContact CD2-SD 4.08Å; L112-M114 HydrophobicContact CG-CE 4.37Å; L112-M114 HydrophobicContact CG-CG 4.2Å; L112-P136 HydrophobicContact CD1-CB 4.1Å; L112-P136 WeakPolarHBondContact CD1-O 3.48Å; L112-I138 HydrophobicContact CD1-CD1 4.02Å; L112-I138 HydrophobicContact CD1-CG1 3.85Å; L112-I138 HydrophobicContact CD2-CD1 3.92Å; L112-I138 HydrophobicContact CG-CD1 4.38Å; L112-I402 HydrophobicContact CD1-CD1 3.79Å; L112-I402 HydrophobicContact CD1-CG2 4.38Å
113V98.8Very high92.7Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-111.4139.6170.6-177.20000108.8L22 V24 F107 F110 V126 I135 P136 L137 I138L22-V113 HydrophobicContact CB-CG1 4.37Å; L22-V113 HydrophobicContact CB-CG2 4.24Å; L22-V113 HydrophobicContact CD2-CG1 4.15Å; L22-V113 HydrophobicContact CD2-CG2 4.37Å; L22-V113 HydrophobicContact CG-CG1 4.41Å; V24-V113 HydrophobicContact CG2-CG1 4Å; F107-V113 HydrophobicContact CD1-CG2 4.04Å; F107-V113 HydrophobicContact CE1-CG1 4.35Å; F107-V113 HydrophobicContact CE1-CG2 4.34Å; F110-V113 HydrophobicContact CB-CG2 4.47Å; V113-V126 HydrophobicContact CG1-CG1 3.96Å; V113-I135 HydrophobicContact CG2-CG2 3.95Å; V113-P136 PolarHBondContact N-O 2.72Å; V113-P136 VanDerWaalsContact N-O 3.08Å; V113-L137 HydrophobicContact CB-CD1 4.04Å; V113-L137 HydrophobicContact CG1-CD1 3.82Å; V113-L137 CarbonylContact O-C 3.6Å; V113-L137 WeakPolarHBondContact O-CA 3.19Å; V113-I138 PolarHBondContact O-N 2.94Å
114M98.8Very high92.8Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-129.6116.7-179.5-68.3167.1-8600109.7V21 L22 V23 V24 L33 L37 L112 I138 I395V21-M114 HydrophobicContact CB-CE 3.59Å; V21-M114 HydrophobicContact CG1-CE 4.09Å; V21-M114 HydrophobicContact CG2-CE 3.76Å; L22-M114 PolarHBondContact O-N 3.4Å; V23-M114 HydrophobicContact CG2-CE 4.32Å; V24-M114 PolarHBondContact N-O 2.85Å; L33-M114 HydrophobicContact CD1-SD 4Å; L33-M114 HydrophobicContact CD2-CB 3.8Å; L33-M114 HydrophobicContact CD2-SD 4.17Å; L37-M114 HydrophobicContact CD1-CE 3.85Å; L37-M114 HydrophobicContact CD1-SD 4.35Å; L37-M114 HydrophobicContact CD2-CE 3.91Å; L37-M114 HydrophobicContact CD2-SD 4.07Å; L112-M114 HydrophobicContact CD2-CE 4.06Å; L112-M114 HydrophobicContact CD2-CG 4.2Å; L112-M114 HydrophobicContact CD2-SD 4.08Å; L112-M114 HydrophobicContact CG-CE 4.37Å; L112-M114 HydrophobicContact CG-CG 4.2Å; M114-I138 HydrophobicContact CG-CB 4.18Å; M114-I138 HydrophobicContact CG-CD1 4.21Å; M114-I138 HydrophobicContact CG-CG1 4.42Å; M114-I395 HydrophobicContact CB-CG2 4.14Å; M114-I395 HydrophobicContact CG-CG2 3.75Å; M114-I395 HydrophobicContact SD-CG2 3.67Å
115N98.1Very high92.7Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-81.6130.9176.5-87-6.7000111.1V126 L137 I138 E139 S140N115-V126 VanDerWaalsContact OD1-CG1 3.25Å; N115-V126 WeakPolarHBondContact OD1-CG1 3.4Å; N115-L137 HydrophobicContact CB-CD1 4.33Å; N115-I138 PolarHBondContact N-O 3.45Å; N115-E139 WeakPolarHBondContact CB-OE2 3.48Å; N115-E139 PolarHBondContact ND2-OE2 3.19Å; N115-S140 PolarHBondContact O-OG 2.98Å
116A94.6Very high92.8Very high11 Ų1135.9 Ų35.99%0.09118%0.177CC..  trans-132.535.9170.500000109.9V24 I29V24-A116 CarbonylContact O-C 3.18Å; V24-A116 WeakPolarHBondContact O-CA 3.01Å; V24-A116 PolarHBondContact O-N 2.86Å; I29-A116 HydrophobicContact CB-CB 3.99Å; I29-A116 HydrophobicContact CG2-CB 3.9Å
117L88.7Confident92.8Very high23 Ų2335.4 Ų35.412%0.1218%0.175CC..  trans-83.4167-178-69172000111.5V24 A122 R123 V126V24-L117 HydrophobicContact CB-CG 4.41Å; V24-L117 HydrophobicContact CG1-CD1 4.03Å; V24-L117 HydrophobicContact CG1-CD2 3.79Å; V24-L117 HydrophobicContact CG1-CG 4.02Å; L117-A122 HydrophobicContact CD1-CB 3.75Å; L117-A122 HydrophobicContact CD2-CB 4.16Å; L117-R123 HydrophobicContact CB-CG 3.94Å; L117-R123 HydrophobicContact CD1-CG 3.96Å; L117-R123 PolarHBondContact O-NH2 3.22Å; L117-V126 HydrophobicContact CD1-CG2 4.14Å
118D81.4Confident92.7Very high125 Ų12535.7 Ų35.767%0.66818%0.176SC*.  trans-126-5.417659.4-1.5000113.9
119N79.3Confident92.6Very high56 Ų5630 Ų3030%0.29915%0.154SC..  trans-119.6140.9-178.771.389.1000112.4A122 R123N119-A122 WeakPolarHBondContact OD1-CB 3.3Å; N119-A122 PolarHBondContact OD1-N 3.41Å; N119-R123 WeakPolarHBondContact O-CG 3.42Å; N119-R123 PolarHBondContact O-N 2.99Å
120R84.8Confident92.6Very high79 Ų7924.3 Ų24.330%0.29813%0.13SC..Hα-helixtrans-67-38.1-175.3-177.6172.1133156.6-0.2113.1R123 N124 Y160 K165R120-R123 PolarHBondContact O-N 2.96Å; R120-N124 PolarHBondContact O-N 3.07Å; R120-Y160 HydrophobicContact CG-CE1 4.44Å; R120-K165 PolarHBondContact NH1-O 3.48Å
121A82.9Confident92.4Very high57 Ų5725 Ų2547%0.47113%0.133SC..Hα-helixtrans-60.9-48.4-179.300000112R123 N124 H125A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 3.19Å; A121-N124 PolarHBondContact O-N 3.1Å; A121-H125 PolarHBondContact O-N 3.47Å
122A87.1Confident92.2Very high5 Ų521 Ų214%0.04112%0.116CC..Hα-helixtrans-66.5-35.7176.400000112.1I97 M98 L117 N119 H125 V126I97-A122 HydrophobicContact CG2-CB 4.23Å; M98-A122 HydrophobicContact SD-CB 4.4Å; L117-A122 HydrophobicContact CD1-CB 3.75Å; L117-A122 HydrophobicContact CD2-CB 4.16Å; N119-A122 WeakPolarHBondContact OD1-CB 3.3Å; N119-A122 PolarHBondContact OD1-N 3.41Å; A122-H125 PolarHBondContact O-N 3.44Å; A122-V126 WeakPolarHBondContact O-CG2 3.32Å; A122-V126 PolarHBondContact O-N 2.97Å
123R93.6Very high92.1Very high21 Ų2121.4 Ų21.48%0.07912%0.119CC..Hα-helixtrans-63.5-44.8174.3-72.3-177.4-173.2110.5-0.7112.1L117 N119 R120 A121 H125 V126 N127 E139 Y160 D586L117-R123 HydrophobicContact CB-CG 3.94Å; L117-R123 HydrophobicContact CD1-CG 3.96Å; L117-R123 PolarHBondContact O-NH2 3.22Å; N119-R123 WeakPolarHBondContact O-CG 3.42Å; N119-R123 PolarHBondContact O-N 2.99Å; R120-R123 PolarHBondContact O-N 2.96Å; A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 3.19Å; R123-H125 VanDerWaalsContact C-N 3.34Å; R123-H125 PolarHBondContact O-N 3.14Å; R123-V126 PolarHBondContact O-N 3.21Å; R123-N127 WeakPolarHBondContact O-CB 3.15Å; R123-N127 PolarHBondContact O-N 3.43Å; R123-E139 IonicContact NE-OE1 3.82Å; R123-E139 PolarHBondContact NE-OE1 2.77Å; R123-Y160 HydrophobicContact CB-CD1 4.06Å; R123-Y160 HydrophobicContact CB-CE1 3.52Å; R123-Y160 HydrophobicContact CB-CE2 4.4Å; R123-Y160 VanDerWaalsContact CD-OH 3.28Å; R123-Y160 WeakPolarHBondContact CD-OH 3.47Å; R123-D586 IonicContact CZ-OD2 2.79Å; R123-D586 IonicContact NH1-OD2 3.85Å; R123-D586 PolarHBondContact NH1-OD2 2.87Å
124N91.4Very high92Very high13 Ų1325.1 Ų25.17%0.0714%0.139CC..Hα-helixtrans-58-46.5173.3-72.7-6.4000111.1R120 A121 N127 R128 Y160 E161R120-N124 PolarHBondContact O-N 3.07Å; A121-N124 PolarHBondContact O-N 3.1Å; N124-N127 WeakPolarHBondContact O-CB 3.42Å; N124-N127 PolarHBondContact O-N 3.04Å; N124-R128 VanDerWaalsContact O-CG 3.32Å; N124-R128 WeakPolarHBondContact O-CG 3.23Å; N124-R128 PolarHBondContact O-N 3.23Å; N124-Y160 VanDerWaalsContact OD1-CD1 3.23Å; N124-Y160 WeakPolarHBondContact OD1-CD1 3.4Å; N124-Y160 WeakPolarHBondContact OD1-CE1 3.44Å; N124-E161 VanDerWaalsContact OD1-CG 3.3Å; N124-E161 WeakPolarHBondContact OD1-CG 3.29Å
125H91.2Very high92Very high11 Ų1126.3 Ų26.35%0.05115%0.145CC..Hα-helixtrans-59.1-54.1177.2-177.987.1000111.1I97 M98 A121 A122 R123 N127 R128 M129I97-H125 PolarHBondContact O-NE2 2.95Å; M98-H125 HydrophobicContact CG-CB 4.15Å; A121-H125 PolarHBondContact O-N 3.47Å; A122-H125 PolarHBondContact O-N 3.44Å; R123-H125 VanDerWaalsContact C-N 3.34Å; R123-H125 PolarHBondContact O-N 3.14Å; H125-N127 VanDerWaalsContact C-N 3.31Å; H125-N127 PolarHBondContact O-N 3.17Å; H125-R128 PolarHBondContact O-N 2.89Å; H125-R128 VanDerWaalsContact O-N 3.14Å; H125-M129 WeakPolarHBondContact NE2-CG 3.2Å; H125-M129 VanDerWaalsContact O-CG 3.29Å; H125-M129 WeakPolarHBondContact O-CG 3.29Å; H125-M129 PolarHBondContact O-N 3.47Å
126V95.9Very high92Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-61.3-38.9179.6175.60000112.1V24 I97 F107 V113 N115 L117 A122 R123 R128 M129 C130 L137V24-V126 HydrophobicContact CG1-CG2 4.11Å; V24-V126 HydrophobicContact CG2-CG1 4.5Å; V24-V126 HydrophobicContact CG2-CG2 4.3Å; I97-V126 HydrophobicContact CG1-CG2 3.84Å; I97-V126 HydrophobicContact CG2-CG2 3.96Å; F107-V126 HydrophobicContact CE1-CG1 4.13Å; F107-V126 HydrophobicContact CZ-CG2 4.48Å; V113-V126 HydrophobicContact CG1-CG1 3.96Å; N115-V126 VanDerWaalsContact OD1-CG1 3.25Å; N115-V126 WeakPolarHBondContact OD1-CG1 3.4Å; L117-V126 HydrophobicContact CD1-CG2 4.14Å; A122-V126 WeakPolarHBondContact O-CG2 3.32Å; A122-V126 PolarHBondContact O-N 2.97Å; R123-V126 PolarHBondContact O-N 3.21Å; V126-R128 PolarHBondContact O-N 3.38Å; V126-M129 PolarHBondContact O-N 3.43Å; V126-C130 WeakPolarHBondContact O-CB 3.22Å; V126-C130 PolarHBondContact O-N 3.48Å; V126-C130 PolarHBondContact O-SG 2.97Å; V126-L137 HydrophobicContact CG1-CD1 3.98Å; V126-L137 HydrophobicContact CG1-CD2 4.27Å
127N96.6Very high92.2Very high0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-54-51.8173.617161.1000110.8R123 N124 H125 C130 L131 L137 C159 Y160 E161R123-N127 WeakPolarHBondContact O-CB 3.15Å; R123-N127 PolarHBondContact O-N 3.43Å; N124-N127 WeakPolarHBondContact O-CB 3.42Å; N124-N127 PolarHBondContact O-N 3.04Å; H125-N127 VanDerWaalsContact C-N 3.31Å; H125-N127 PolarHBondContact O-N 3.17Å; N127-C130 PolarHBondContact O-N 3.49Å; N127-L131 VanDerWaalsContact O-CG 3.29Å; N127-L131 WeakPolarHBondContact O-CG 3.41Å; N127-L131 PolarHBondContact O-N 2.78Å; N127-L137 HydrophobicContact CB-CD2 4.45Å; N127-C159 WeakPolarHBondContact OD1-CB 3.46Å; N127-Y160 PolarHBondContact OD1-N 2.85Å; N127-Y160 VanDerWaalsContact OD1-N 3.13Å; N127-E161 PolarHBondContact ND2-OE2 3.08Å
128R93.9Very high92.6Very high5 Ų525.4 Ų25.42%0.01914%0.14CC..Hα-helixtrans-65.1-44.5179.5-66.7168.3-166.7-167.30.5112.3N124 H125 V126 C130 L131 A132 E161 V440 F470 G471 Q521N124-R128 VanDerWaalsContact O-CG 3.32Å; N124-R128 WeakPolarHBondContact O-CG 3.23Å; N124-R128 PolarHBondContact O-N 3.23Å; H125-R128 PolarHBondContact O-N 2.89Å; H125-R128 VanDerWaalsContact O-N 3.14Å; V126-R128 PolarHBondContact O-N 3.38Å; R128-C130 VanDerWaalsContact C-N 3.29Å; R128-C130 PolarHBondContact O-N 3.12Å; R128-L131 WeakPolarHBondContact O-CB 3.25Å; R128-L131 PolarHBondContact O-N 2.81Å; R128-L131 VanDerWaalsContact O-N 3.13Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 2.82Å; R128-E161 IonicContact CZ-OE1 3.81Å; R128-E161 IonicContact CZ-OE2 3.59Å; R128-E161 IonicContact NE-OE1 2.63Å; R128-E161 IonicContact NE-OE2 3.98Å; R128-E161 PolarHBondContact NE-OE2 3.23Å; R128-E161 IonicContact NH2-OE1 3.98Å; R128-E161 PolarHBondContact NH2-OE1 2.85Å; R128-E161 IonicContact NH2-OE2 2.83Å; R128-V440 HydrophobicContact CG-CG1 3.8Å; R128-F470 PolarHBondContact NH1-O 2.78Å; R128-F470 PolarHBondContact NH2-O 3.02Å; R128-G471 PolarHBondContact NH1-O 2.8Å; R128-Q521 VanDerWaalsContact NH1-OE1 3.11Å
129M94.9Very high93.5Very high1 Ų120 Ų201%0.00511%0.11CC..Hα-helixtrans-60.8-38.2177.4-62.5-48.5-74.100112.2V104 F107 H125 V126 A132 A133 Q521V104-M129 HydrophobicContact CB-CE 4.43Å; V104-M129 HydrophobicContact CG2-CE 3.78Å; F107-M129 HydrophobicContact CD1-CB 3.97Å; F107-M129 HydrophobicContact CD2-CB 3.67Å; F107-M129 HydrophobicContact CD2-CE 4.02Å; F107-M129 HydrophobicContact CD2-CG 4.17Å; F107-M129 HydrophobicContact CE1-CB 3.85Å; F107-M129 HydrophobicContact CE2-CB 3.53Å; F107-M129 HydrophobicContact CE2-CE 4.24Å; F107-M129 HydrophobicContact CE2-CG 3.74Å; F107-M129 HydrophobicContact CG-CB 3.88Å; F107-M129 HydrophobicContact CZ-CB 3.62Å; F107-M129 HydrophobicContact CZ-CG 4.06Å; H125-M129 WeakPolarHBondContact NE2-CG 3.2Å; H125-M129 VanDerWaalsContact O-CG 3.29Å; H125-M129 WeakPolarHBondContact O-CG 3.29Å; H125-M129 PolarHBondContact O-N 3.47Å; V126-M129 PolarHBondContact O-N 3.43Å; M129-A132 PolarHBondContact O-N 3.09Å; M129-A133 WeakPolarHBondContact O-CB 3.28Å; M129-A133 PolarHBondContact O-N 2.98Å; M129-Q521 HydrophobicContact SD-CG 4.42Å
130C97.4Very high94.3Very high3 Ų317.4 Ų17.42%0.0210%0.097CC..Hα-helixtrans-69.9-37.4175.8-670000112.3V126 N127 R128 D134 I135 L137V126-C130 WeakPolarHBondContact O-CB 3.22Å; V126-C130 PolarHBondContact O-N 3.48Å; V126-C130 PolarHBondContact O-SG 2.97Å; N127-C130 PolarHBondContact O-N 3.49Å; R128-C130 VanDerWaalsContact C-N 3.29Å; R128-C130 PolarHBondContact O-N 3.12Å; C130-D134 WeakPolarHBondContact O-CA 3.45Å; C130-D134 PolarHBondContact O-N 3.27Å; C130-I135 PolarHBondContact O-N 2.98Å; C130-L137 HydrophobicContact CB-CB 3.98Å; C130-L137 HydrophobicContact CB-CD2 4.46Å
131L95.7Very high94.5Very high18 Ų1813.9 Ų13.99%0.0949%0.085CC..Hα-helixtrans-65.1-42.1172.2-67.9171.2000111.7N127 R128 D134 K154 C159 V440 C441N127-L131 VanDerWaalsContact O-CG 3.29Å; N127-L131 WeakPolarHBondContact O-CG 3.41Å; N127-L131 PolarHBondContact O-N 2.78Å; R128-L131 WeakPolarHBondContact O-CB 3.25Å; R128-L131 PolarHBondContact O-N 2.81Å; R128-L131 VanDerWaalsContact O-N 3.13Å; L131-D134 PolarHBondContact O-N 2.94Å; L131-K154 HydrophobicContact CD2-CB 3.8Å; L131-K154 HydrophobicContact CD2-CG 4.21Å; L131-K154 WeakPolarHBondContact O-CD 3.38Å; L131-K154 PolarHBondContact O-NZ 3.4Å; L131-C159 HydrophobicContact CD1-CB 3.9Å; L131-C159 HydrophobicContact CD2-CB 4.42Å; L131-V440 HydrophobicContact CD1-CG1 3.98Å; L131-C441 HydrophobicContact CD1-CB 3.89Å; L131-C441 HydrophobicContact CD2-CB 4.4Å
132A93.1Very high94.7Very high12 Ų1212.7 Ų12.710%0.0997%0.072CC..Hα-helixtrans-65.4-43.2176.700000112V104 R128 M129 D134 Q521 D522V104-A132 HydrophobicContact CG1-CB 4.18Å; V104-A132 HydrophobicContact CG2-CB 3.79Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 2.82Å; M129-A132 PolarHBondContact O-N 3.09Å; A132-D134 VanDerWaalsContact C-N 3.28Å; A132-D134 PolarHBondContact O-N 3.41Å; A132-Q521 WeakPolarHBondContact CB-O 3.46Å; A132-D522 HydrophobicContact CB-CB 3.85Å
133A96.1Very high94.5Very high8 Ų812.9 Ų12.97%0.0667%0.074CC..Hα-helixtrans-79.6-7.9178.900000114V104 F107 R108 M129 I135V104-A133 HydrophobicContact CG1-CB 4.05Å; F107-A133 HydrophobicContact CB-CB 3.64Å; R108-A133 HydrophobicContact CG-CB 3.79Å; M129-A133 WeakPolarHBondContact O-CB 3.28Å; M129-A133 PolarHBondContact O-N 2.98Å; A133-I135 HydrophobicContact CB-CG1 3.83Å; A133-I135 PolarHBondContact O-N 3.38Å
134D96.4Very high94.1Very high78 Ų7812.5 Ų12.542%0.4178%0.076SC..THydrogen-bonded Turntrans55.233.9-172.3-164.938.1000114.6C130 L131 A132 K153 K154C130-D134 WeakPolarHBondContact O-CA 3.45Å; C130-D134 PolarHBondContact O-N 3.27Å; L131-D134 PolarHBondContact O-N 2.94Å; A132-D134 VanDerWaalsContact C-N 3.28Å; A132-D134 PolarHBondContact O-N 3.41Å; D134-K153 PolarHBondContact O-NZ 3.14Å; D134-K153 IonicContact OD1-NZ 3.64Å; D134-K153 PolarHBondContact OD1-NZ 3.16Å; D134-K153 IonicContact OD2-NZ 2.9Å; D134-K153 PolarHBondContact OD2-NZ 3.33Å; D134-K154 WeakPolarHBondContact OD1-CB 3.28Å
135I97.9Very high93.9Very high26 Ų2618.3 Ų18.313%0.13310%0.098CC..  trans-98.7135.1-179.7-57.3-51.6000110.2F110 V113 C130 A133 L137F110-I135 WeakPolarHBondContact O-CD1 3.36Å; V113-I135 HydrophobicContact CG2-CG2 3.95Å; C130-I135 PolarHBondContact O-N 2.98Å; A133-I135 HydrophobicContact CB-CG1 3.83Å; A133-I135 PolarHBondContact O-N 3.38Å; I135-L137 PolarHBondContact O-N 2.72Å
136P98.3Very high93.9Very high15 Ų1519.7 Ų19.710%0.09711%0.105CC..  trans-61.4132.8172.7-15.626.9000111.5L112 V113 K153 I402L112-P136 HydrophobicContact CD1-CB 4.1Å; L112-P136 WeakPolarHBondContact CD1-O 3.48Å; V113-P136 PolarHBondContact N-O 2.72Å; V113-P136 VanDerWaalsContact N-O 3.08Å; P136-K153 HydrophobicContact CG-CD 4.16Å; P136-I402 HydrophobicContact CB-CD1 4.37Å; P136-I402 HydrophobicContact CB-CG2 4.05Å; P136-I402 HydrophobicContact CG-CG2 3.95Å
137L98.8Very high93.7Very high0 Ų019.7 Ų19.70%011%0.106CC..EExtended strand (participates in β ladder)trans-110.7132.2176170.263.3000109.4V113 N115 V126 N127 C130 I135 I152V113-L137 HydrophobicContact CB-CD1 4.04Å; V113-L137 HydrophobicContact CG1-CD1 3.82Å; V113-L137 CarbonylContact O-C 3.6Å; V113-L137 WeakPolarHBondContact O-CA 3.19Å; N115-L137 HydrophobicContact CB-CD1 4.33Å; V126-L137 HydrophobicContact CG1-CD1 3.98Å; V126-L137 HydrophobicContact CG1-CD2 4.27Å; N127-L137 HydrophobicContact CB-CD2 4.45Å; C130-L137 HydrophobicContact CB-CB 3.98Å; C130-L137 HydrophobicContact CB-CD2 4.46Å; I135-L137 PolarHBondContact O-N 2.72Å; L137-I152 HydrophobicContact CB-CB 4.18Å; L137-I152 HydrophobicContact CD2-CD1 3.99Å; L137-I152 HydrophobicContact CG-CD1 4.46Å; L137-I152 PolarHBondContact N-O 3.47Å; L137-I152 PolarHBondContact O-N 2.92Å
138I98.8Very high93.7Very high0 Ų020.8 Ų20.80%011%0.111CC..EExtended strand (participates in β ladder)trans-100.3115.8165.2-53.9-180000107.9L112 V113 M114 N115 V149 T150 V151 I395 E398 I402L112-I138 HydrophobicContact CD1-CD1 4.02Å; L112-I138 HydrophobicContact CD1-CG1 3.85Å; L112-I138 HydrophobicContact CD2-CD1 3.92Å; L112-I138 HydrophobicContact CG-CD1 4.38Å; V113-I138 PolarHBondContact O-N 2.94Å; M114-I138 HydrophobicContact CG-CB 4.18Å; M114-I138 HydrophobicContact CG-CD1 4.21Å; M114-I138 HydrophobicContact CG-CG1 4.42Å; N115-I138 PolarHBondContact N-O 3.45Å; I138-V149 HydrophobicContact CG2-CG1 3.59Å; I138-T150 WeakPolarHBondContact CA-O 3.31Å; I138-V151 HydrophobicContact CG1-CG2 4.42Å; I138-I395 HydrophobicContact CB-CG2 4.35Å; I138-I395 HydrophobicContact CD1-CG2 4.24Å; I138-I395 WeakPolarHBondContact CD1-O 3.24Å; I138-I395 HydrophobicContact CG2-CB 4.33Å; I138-I395 HydrophobicContact CG2-CG1 4.17Å; I138-I395 HydrophobicContact CG2-CG2 3.95Å; I138-E398 HydrophobicContact CD1-CB 4.15Å; I138-I402 HydrophobicContact CD1-CD1 3.98Å; I138-I402 HydrophobicContact CG1-CD1 3.91Å
139E98.4Very high93.9Very high11 Ų1120.6 Ų20.65%0.05111%0.11CC..EExtended strand (participates in β ladder)trans-97.6145176.7-179.257.2-110.100110.2N115 R123 V149 T150 I152 Y160N115-E139 WeakPolarHBondContact CB-OE2 3.48Å; N115-E139 PolarHBondContact ND2-OE2 3.19Å; R123-E139 IonicContact NE-OE1 3.82Å; R123-E139 PolarHBondContact NE-OE1 2.77Å; E139-V149 WeakPolarHBondContact O-CA 3.34Å; E139-T150 HydrophobicContact CB-CG2 3.89Å; E139-T150 HydrophobicContact CG-CG2 4.49Å; E139-T150 PolarHBondContact N-O 2.92Å; E139-T150 PolarHBondContact O-N 3.35Å; E139-I152 HydrophobicContact CB-CD1 4Å; E139-Y160 HydrophobicContact CG-CD2 3.93Å; E139-Y160 HydrophobicContact CG-CE2 4.26Å
140S96.2Very high94.1Very high2 Ų221.8 Ų21.81%0.01412%0.118CC..EExtended strand (participates in β ladder)trans-152.9153.1-178.472.10000113.5N115 Q148 I395N115-S140 PolarHBondContact O-OG 2.98Å; S140-Q148 VanDerWaalsContact CA-O 3.24Å; S140-Q148 WeakPolarHBondContact CA-O 3.18Å; S140-Q148 WeakPolarHBondContact CB-O 3.35Å; S140-I395 VanDerWaalsContact OG-CD1 3.27Å; S140-I395 WeakPolarHBondContact OG-CD1 3.38Å
141G90.6Very high94.1Very high5 Ų521.7 Ų21.75%0.05212%0.117CC..EExtended strand (participates in β ladder)trans-148.2156179.400000112.2G147 Q148G141-G147 CarbonylContact O-C 3.55Å; G141-G147 WeakPolarHBondContact O-CA 3.11Å; G141-Q148 PolarHBondContact N-O 3.03Å; G141-Q148 PolarHBondContact O-N 2.92Å; G141-Q148 PolarHBondContact O-OE1 3.38Å
142T86.5Confident94.3Very high32 Ų3221.1 Ų21.120%0.19611%0.114CC..EExtended strand (participates in β ladder)trans-145.6135.8176.853.10000111.1I29 L146 T387 N388 I391 I587I29-T142 HydrophobicContact CD1-CG2 3.87Å; I29-T142 HydrophobicContact CG1-CG2 4.13Å; T142-L146 WeakPolarHBondContact CA-O 3.44Å; T142-T387 HydrophobicContact CG2-CG2 3.9Å; T142-N388 PolarHBondContact OG1-OD1 3.43Å; T142-I391 HydrophobicContact CG2-CB 3.96Å; T142-I391 HydrophobicContact CG2-CG1 3.53Å; T142-I391 HydrophobicContact CG2-CG2 4.25Å; T142-I587 VanDerWaalsContact C-CD1 3.41Å
143A83.4Confident94.5Very high10 Ų1022.1 Ų22.18%0.08312%0.116CC..EExtended strand (participates in β ladder)trans-144.7111.4172.500000108.9Y145 L146 I381 D585 I587A143-Y145 PolarHBondContact O-N 2.7Å; A143-L146 PolarHBondContact N-O 3.04Å; A143-L146 WeakPolarHBondContact O-CA 3.27Å; A143-L146 WeakPolarHBondContact O-CB 3.32Å; A143-L146 PolarHBondContact O-N 3.16Å; A143-I381 HydrophobicContact CB-CG2 3.53Å; A143-D585 WeakPolarHBondContact CB-OD2 3.33Å; A143-I587 HydrophobicContact CB-CD1 3.44Å; A143-I587 VanDerWaalsContact CB-CD1 3.44Å; A143-I587 HydrophobicContact CB-CG1 4.31Å
144G84.6Confident94.5Very high13 Ų1326.6 Ų26.613%0.13413%0.134CC..BIsolated β-bridgetrans56.2-110.7-174.900000112.4P382 I384 T387G144-P382 WeakPolarHBondContact CA-O 3.39Å; G144-P382 PolarHBondContact N-O 2.68Å; G144-I384 WeakPolarHBondContact O-CD1 3.35Å; G144-T387 WeakPolarHBondContact O-CB 3.43Å; G144-T387 WeakPolarHBondContact O-CG2 3.4Å; G144-T387 PolarHBondContact O-OG1 2.75Å
145Y87.5Confident94.3Very high135 Ų13526.3 Ų26.353%0.52915%0.149SC..THydrogen-bonded Turntrans-94.8-5178.2-64.2-72.4000113.8A143 I384 K417A143-Y145 PolarHBondContact O-N 2.7Å; Y145-I384 HydrophobicContact CD1-CD1 3.67Å; Y145-I384 HydrophobicContact CD2-CD1 4.2Å; Y145-I384 HydrophobicContact CE1-CD1 3.4Å; Y145-I384 VanDerWaalsContact CE1-CD1 3.4Å; Y145-I384 HydrophobicContact CE2-CD1 3.97Å; Y145-I384 HydrophobicContact CG-CD1 4.06Å; Y145-K417 HydrophobicContact CD2-CD 4.16Å; Y145-K417 HydrophobicContact CD2-CG 4.23Å; Y145-K417 HydrophobicContact CG-CG 4.22Å
146L90.8Very high94.2Very high39 Ų3928.2 Ų28.220%0.20416%0.159CC..EExtended strand (participates in β ladder)trans-98153.4-178.1-53.4176.5000110.3T142 A143 T387 L415 K417 I587 I589T142-L146 WeakPolarHBondContact CA-O 3.44Å; A143-L146 PolarHBondContact N-O 3.04Å; A143-L146 WeakPolarHBondContact O-CA 3.27Å; A143-L146 WeakPolarHBondContact O-CB 3.32Å; A143-L146 PolarHBondContact O-N 3.16Å; L146-T387 VanDerWaalsContact O-CG2 3.32Å; L146-T387 WeakPolarHBondContact O-CG2 3.43Å; L146-L415 WeakPolarHBondContact CA-O 3.42Å; L146-K417 HydrophobicContact CD2-CB 4.09Å; L146-I587 HydrophobicContact CB-CD1 4.35Å; L146-I587 HydrophobicContact CB-CG2 4.07Å; L146-I589 HydrophobicContact CD1-CD1 3.85Å; L146-I589 HydrophobicContact CD1-CG1 3.99Å
147G91.9Very high94.2Very high1 Ų127.8 Ų27.81%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-172.2167.9173.500000112.2G141 L415G141-G147 CarbonylContact O-C 3.55Å; G141-G147 WeakPolarHBondContact O-CA 3.11Å; G147-L415 PolarHBondContact N-O 3.48Å; G147-L415 PolarHBondContact O-N 3.16Å
148Q96.6Very high94.1Very high23 Ų2329.4 Ų29.411%0.10716%0.163CC..EExtended strand (participates in β ladder)trans-150.8153.2179.474.4-76.111.200111.6S140 G141 I413 F414 D586S140-Q148 VanDerWaalsContact CA-O 3.24Å; S140-Q148 WeakPolarHBondContact CA-O 3.18Å; S140-Q148 WeakPolarHBondContact CB-O 3.35Å; G141-Q148 PolarHBondContact N-O 3.03Å; G141-Q148 PolarHBondContact O-N 2.92Å; G141-Q148 PolarHBondContact O-OE1 3.38Å; Q148-I413 CarbonylContact C-O 3.5Å; Q148-I413 WeakPolarHBondContact CA-O 3.29Å; Q148-F414 HydrophobicContact CB-CD1 3.84Å; Q148-F414 HydrophobicContact CB-CE1 4.07Å; Q148-D586 PolarHBondContact NE2-O 3.42Å
149V98.5Very high94Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-130.3136.2169.1177.30000108I138 E139 I391 L394 I395 E398 T412 I413I138-V149 HydrophobicContact CG2-CG1 3.59Å; E139-V149 WeakPolarHBondContact O-CA 3.34Å; V149-I391 HydrophobicContact CG2-CD1 4.38Å; V149-I391 HydrophobicContact CG2-CG2 3.72Å; V149-L394 HydrophobicContact CB-CB 4.35Å; V149-L394 HydrophobicContact CG2-CB 3.75Å; V149-I395 HydrophobicContact CG1-CG1 4.15Å; V149-I395 HydrophobicContact CG2-CG1 3.85Å; V149-E398 HydrophobicContact CG1-CG 4.15Å; V149-T412 CarbonylContact O-C 3.54Å; V149-T412 VanDerWaalsContact O-CA 3.28Å; V149-T412 WeakPolarHBondContact O-CA 3.19Å; V149-I413 PolarHBondContact N-O 3.04Å; V149-I413 PolarHBondContact O-N 3.33Å
150T98.2Very high93.8Very high27 Ų2730 Ų3017%0.16617%0.165CC..EExtended strand (participates in β ladder)trans-141.3159.7173.6-163.10000110.9I138 E139 T412I138-T150 WeakPolarHBondContact CA-O 3.31Å; E139-T150 HydrophobicContact CB-CG2 3.89Å; E139-T150 HydrophobicContact CG-CG2 4.49Å; E139-T150 PolarHBondContact N-O 2.92Å; E139-T150 PolarHBondContact O-N 3.35Å; T150-T412 PolarHBondContact OG1-OG1 3.39Å
151V98.4Very high93.7Very high1 Ų130.3 Ų30.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-113129.5179.5178.80000109I138 T157 E398 I402 L407 C410 L431I138-V151 HydrophobicContact CG1-CG2 4.42Å; V151-T157 PolarHBondContact O-OG1 3.18Å; V151-E398 HydrophobicContact CG2-CB 4.01Å; V151-E398 HydrophobicContact CG2-CG 4.37Å; V151-I402 HydrophobicContact CG1-CD1 3.71Å; V151-I402 HydrophobicContact CG1-CG1 4.37Å; V151-I402 HydrophobicContact CG2-CD1 4.11Å; V151-L407 HydrophobicContact CG1-CD2 4.32Å; V151-C410 HydrophobicContact CB-CB 4.23Å; V151-C410 HydrophobicContact CG2-CB 3.89Å; V151-L431 HydrophobicContact CB-CD1 4.17Å; V151-L431 HydrophobicContact CB-CD2 4.34Å
152I98.4Very high93.8Very high5 Ų530.7 Ų30.73%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-111.2121.2176.9-63.4165.3000108.4L137 E139 T157 C159L137-I152 HydrophobicContact CB-CB 4.18Å; L137-I152 HydrophobicContact CD2-CD1 3.99Å; L137-I152 HydrophobicContact CG-CD1 4.46Å; L137-I152 PolarHBondContact N-O 3.47Å; L137-I152 PolarHBondContact O-N 2.92Å; E139-I152 HydrophobicContact CB-CD1 4Å; I152-T157 WeakPolarHBondContact CA-OG1 3.46Å; I152-C159 HydrophobicContact CG2-CB 4.31Å
153K97.6Very high93.8Very high34 Ų3431.9 Ų31.915%0.14817%0.172CC..  trans-138122.6172.9178.554.1175.5156.30110.2D134 P136 G155 M156 T157 L407D134-K153 PolarHBondContact O-NZ 3.14Å; D134-K153 IonicContact OD1-NZ 3.64Å; D134-K153 PolarHBondContact OD1-NZ 3.16Å; D134-K153 IonicContact OD2-NZ 2.9Å; D134-K153 PolarHBondContact OD2-NZ 3.33Å; P136-K153 HydrophobicContact CG-CD 4.16Å; K153-G155 PolarHBondContact O-N 3.03Å; K153-M156 HydrophobicContact CB-CB 4.25Å; K153-M156 HydrophobicContact CG-CB 4.15Å; K153-M156 PolarHBondContact O-N 3.25Å; K153-T157 PolarHBondContact N-OG1 2.96Å; K153-T157 PolarHBondContact O-N 3.44Å; K153-T157 PolarHBondContact O-OG1 2.88Å; K153-L407 HydrophobicContact CB-CD2 4.49Å
154K95.8Very high93.6Very high102 Ų10236 Ų3644%0.44320%0.198SC..THydrogen-bonded Turntrans-47.6131.3178.9-177.4170.4-173.8170.90112L131 D134 M156L131-K154 HydrophobicContact CD2-CB 3.8Å; L131-K154 HydrophobicContact CD2-CG 4.21Å; L131-K154 WeakPolarHBondContact O-CD 3.38Å; L131-K154 PolarHBondContact O-NZ 3.4Å; D134-K154 WeakPolarHBondContact OD1-CB 3.28Å; K154-M156 PolarHBondContact O-N 3.1Å; K154-M156 VanDerWaalsContact O-N 3.1Å
155G93.8Very high93.5Very high71 Ų7137.3 Ų37.373%0.73220%0.2SC*.THydrogen-bonded Turntrans71.1-6178.500000115.4K153K153-G155 PolarHBondContact O-N 3.03Å
156M95.3Very high92.9Very high67 Ų6734.8 Ų34.833%0.3320%0.2SC..THydrogen-bonded Turntrans-111.5-44.7-178.6-171-175.8112.800112.2K153 K154 L407 L431K153-M156 HydrophobicContact CB-CB 4.25Å; K153-M156 HydrophobicContact CG-CB 4.15Å; K153-M156 PolarHBondContact O-N 3.25Å; K154-M156 PolarHBondContact O-N 3.1Å; K154-M156 VanDerWaalsContact O-N 3.1Å; M156-L407 HydrophobicContact CE-CB 3.97Å; M156-L407 HydrophobicContact CE-CD2 4.2Å; M156-L407 HydrophobicContact SD-CB 4.05Å; M156-L431 HydrophobicContact CE-CD1 4.35Å
157T97.3Very high91.8Very high6 Ų636.4 Ų36.44%0.03722%0.219CC..SBendtrans-123.3164.6-176.570.40000111.1V151 I152 K153 L431 D432 P434V151-T157 PolarHBondContact O-OG1 3.18Å; I152-T157 WeakPolarHBondContact CA-OG1 3.46Å; K153-T157 PolarHBondContact N-OG1 2.96Å; K153-T157 PolarHBondContact O-N 3.44Å; K153-T157 PolarHBondContact O-OG1 2.88Å; T157-L431 HydrophobicContact CG2-CB 3.99Å; T157-L431 HydrophobicContact CG2-CD1 3.87Å; T157-L431 HydrophobicContact CG2-CG 4.44Å; T157-D432 CarbonylContact C-O 3.19Å; T157-D432 WeakPolarHBondContact CA-O 3.42Å; T157-P434 VanDerWaalsContact O-CG 3.3Å; T157-P434 WeakPolarHBondContact O-CG 2.97Å
158E96.6Very high90.5Very high33 Ų3342 Ų4215%0.15425%0.245CC..  trans-55.8147163.468.4169.8-154.400111.8C162 Q163 D432E158-C162 HydrophobicContact CB-CB 3.7Å; E158-Q163 PolarHBondContact OE1-NE2 2.87Å; E158-Q163 PolarHBondContact OE2-NE2 2.87Å; E158-D432 HydrophobicContact CG-CB 4.09Å; E158-D432 PolarHBondContact N-O 2.84Å
159C96.8Very high89.2Confident2 Ų246.8 Ų46.81%0.01427%0.265CS..  trans-88.8170.2169.982.50000110.1N127 L131 I152 E161 C162 C438 C441N127-C159 WeakPolarHBondContact OD1-CB 3.46Å; L131-C159 HydrophobicContact CD1-CB 3.9Å; L131-C159 HydrophobicContact CD2-CB 4.42Å; I152-C159 HydrophobicContact CG2-CB 4.31Å; C159-E161 PolarHBondContact O-N 2.66Å; C159-E161 VanDerWaalsContact O-N 3.1Å; C159-E161 PolarHBondContact SG-N 2.71Å; C159-C162 PolarHBondContact N-SG 2.9Å; C159-C162 WeakPolarHBondContact O-CB 3.48Å; C159-C162 PolarHBondContact O-N 3.48Å; C159-C162 VanDerWaalsContact O-N 3.12Å; C159-C438 VanDerWaalsContact SG-SG 3.63Å; C159-C441 HydrophobicContact CB-CB 3.91Å; C159-C441 VanDerWaalsContact SG-SG 3.64Å
160Y95.8Very high87.7Confident21 Ų2153 Ų538%0.08230%0.304CS..THydrogen-bonded Turntrans-57.3-30.2-178.2179.2-110.4000113.2R120 R123 N124 N127 E139 D586R120-Y160 HydrophobicContact CG-CE1 4.44Å; R123-Y160 HydrophobicContact CB-CD1 4.06Å; R123-Y160 HydrophobicContact CB-CE1 3.52Å; R123-Y160 HydrophobicContact CB-CE2 4.4Å; R123-Y160 VanDerWaalsContact CD-OH 3.28Å; R123-Y160 WeakPolarHBondContact CD-OH 3.47Å; N124-Y160 VanDerWaalsContact OD1-CD1 3.23Å; N124-Y160 WeakPolarHBondContact OD1-CD1 3.4Å; N124-Y160 WeakPolarHBondContact OD1-CE1 3.44Å; N127-Y160 PolarHBondContact OD1-N 2.85Å; N127-Y160 VanDerWaalsContact OD1-N 3.13Å; E139-Y160 HydrophobicContact CG-CD2 3.93Å; E139-Y160 HydrophobicContact CG-CE2 4.26Å; Y160-D586 PolarHBondContact OH-OD2 3.49Å
161E93.4Very high86.5Confident9 Ų954.2 Ų54.24%0.04231%0.306CS..THydrogen-bonded Turntrans-99.710.6-175.8-63173.48400113.5N124 N127 R128 C159 Y439 V440N124-E161 VanDerWaalsContact OD1-CG 3.3Å; N124-E161 WeakPolarHBondContact OD1-CG 3.29Å; N127-E161 PolarHBondContact ND2-OE2 3.08Å; R128-E161 IonicContact CZ-OE1 3.81Å; R128-E161 IonicContact CZ-OE2 3.59Å; R128-E161 IonicContact NE-OE1 2.63Å; R128-E161 IonicContact NE-OE2 3.98Å; R128-E161 PolarHBondContact NE-OE2 3.23Å; R128-E161 IonicContact NH2-OE1 3.98Å; R128-E161 PolarHBondContact NH2-OE1 2.85Å; R128-E161 IonicContact NH2-OE2 2.83Å; C159-E161 PolarHBondContact O-N 2.66Å; C159-E161 VanDerWaalsContact O-N 3.1Å; C159-E161 PolarHBondContact SG-N 2.71Å; E161-Y439 PolarHBondContact OE1-OH 2.9Å; E161-V440 HydrophobicContact CB-CB 4.38Å; E161-V440 HydrophobicContact CB-CG2 3.8Å; E161-V440 HydrophobicContact CG-CG2 4.34Å
162C92.3Very high85.1Confident14 Ų1457.3 Ų57.310%0.09533%0.327CS..SBendtrans-68.7-35.7175.7-86.50000113.1E158 C159 C438 C441E158-C162 HydrophobicContact CB-CB 3.7Å; C159-C162 PolarHBondContact N-SG 2.9Å; C159-C162 WeakPolarHBondContact O-CB 3.48Å; C159-C162 PolarHBondContact O-N 3.48Å; C159-C162 VanDerWaalsContact O-N 3.12Å; C162-C438 VanDerWaalsContact SG-SG 3.69Å; C162-C441 PolarHBondContact SG-SG 2.86Å
163Q86.6Confident83.5Confident56 Ų5657.9 Ų57.926%0.26233%0.334SS..SBendtrans-110.1125.1178.5-61.7-178.26.800108.5E158 K165E158-Q163 PolarHBondContact OE1-NE2 2.87Å; E158-Q163 PolarHBondContact OE2-NE2 2.87Å; Q163-K165 PolarHBondContact O-N 3.07Å; Q163-K165 VanDerWaalsContact O-N 3.16Å
164P80.3Confident82.2Confident97 Ų9757.4 Ų57.463%0.6333%0.334SS*.  trans-60.512317925-32.2000109.2
165K80.6Confident81.3Confident41 Ų4153.9 Ų53.918%0.17832%0.322CS..  trans-82.4142.5171.9-54.7-58176.7-171.50108.9R120 Q163 A167 D586R120-K165 PolarHBondContact NH1-O 3.48Å; Q163-K165 PolarHBondContact O-N 3.07Å; Q163-K165 VanDerWaalsContact O-N 3.16Å; K165-A167 PolarHBondContact O-N 3.38Å; K165-D586 WeakPolarHBondContact CB-OD1 3.46Å; K165-D586 WeakPolarHBondContact CG-OD1 3.48Å
166P74.8Confident80.6Confident81 Ų8150.6 Ų50.653%0.52629%0.287SS..  trans-45.3126.5175.1-27.734.6000110.5
167A67.7Low79.9Confident74 Ų7449.4 Ų49.461%0.61228%0.279SS*.  trans-71146.617300000108.7K165 K169K165-A167 PolarHBondContact O-N 3.38Å; A167-K169 PolarHBondContact O-N 2.8Å
168Q65.7Low78.9Confident119 Ų11949.1 Ų49.156%0.55628%0.277SS*.  trans-56.6135.5171.7-173.2-179.5-11.500109T170 N379Q168-T170 PolarHBondContact O-N 3.3Å; Q168-N379 PolarHBondContact NE2-ND2 3.29Å
169K69.2Low78.1Confident122 Ų12247.9 Ų47.953%0.5327%0.272SS..  trans-58115.7-179.5-67.6177.1-173.7164.70110.6A167 F171 A582A167-K169 PolarHBondContact O-N 2.8Å; K169-F171 HydrophobicContact CB-CE2 4.44Å; K169-F171 HydrophobicContact CB-CZ 4.28Å; K169-A582 PolarHBondContact NZ-O 3.47Å
170T67.3Low77.6Confident132 Ų13248.2 Ų48.281%0.8127%0.274SS*.  trans-96.2148.6169.255.90000109.4Q168Q168-T170 PolarHBondContact O-N 3.3Å
171F72Confident77.1Confident51 Ų5151 Ų5122%0.22430%0.296CS..  trans-122.6136.2-179-61.4-80.6000109.1K169 I176 I184 H185 V188K169-F171 HydrophobicContact CB-CE2 4.44Å; K169-F171 HydrophobicContact CB-CZ 4.28Å; F171-I176 HydrophobicContact CB-CD1 3.61Å; F171-I176 HydrophobicContact CB-CG1 3.88Å; F171-I176 HydrophobicContact CG-CD1 4.18Å; F171-I184 HydrophobicContact CE1-CG2 4.04Å; F171-I184 HydrophobicContact CE2-CG1 3.86Å; F171-I184 HydrophobicContact CE2-CG2 4.4Å; F171-I184 HydrophobicContact CZ-CB 4.43Å; F171-I184 HydrophobicContact CZ-CG1 3.81Å; F171-I184 HydrophobicContact CZ-CG2 3.68Å; F171-H185 AromaticContact CD1-CD2 3.38Å; F171-H185 WeakPolarHBondContact CD1-CD2 3.28Å; F171-H185 AromaticContact CD1-NE2 3.25Å; F171-H185 VanDerWaalsContact CD1-NE2 3.25Å; F171-H185 WeakPolarHBondContact CD1-NE2 3.46Å; F171-H185 AromaticContact CE1-CD2 3.6Å; F171-H185 AromaticContact CE1-NE2 3.41Å; F171-H185 WeakPolarHBondContact CE1-NE2 3.26Å; F171-H185 AromaticContact CG-CD2 3.86Å; F171-V188 HydrophobicContact CD2-CG2 4.02Å; F171-V188 HydrophobicContact CE2-CG2 4.12Å
172P69.3Low76.8Confident66 Ų6655.6 Ų55.643%0.42932%0.318SS..  trans-57.7142.4178.6-25.533.9000112.4C174 T175 I176P172-C174 VanDerWaalsContact C-N 3.28Å; P172-C174 PolarHBondContact O-N 3.26Å; P172-T175 WeakPolarHBondContact O-CB 3.33Å; P172-T175 PolarHBondContact O-N 3.01Å; P172-I176 PolarHBondContact O-N 3.07Å; P172-I176 VanDerWaalsContact O-N 3.14Å
173G65Low76.7Confident17 Ų1756.5 Ų56.518%0.17532%0.324CS..Hα-helixtrans-59.3-38.9-17700000112.3T175 I176 R177 D538G173-T175 VanDerWaalsContact C-N 3.32Å; G173-T175 PolarHBondContact O-N 3.22Å; G173-I176 PolarHBondContact O-N 3.34Å; G173-R177 VanDerWaalsContact O-CB 3.25Å; G173-R177 WeakPolarHBondContact O-CB 3.39Å; G173-R177 WeakPolarHBondContact O-CG 3.37Å; G173-R177 PolarHBondContact O-N 3.42Å; G173-D538 WeakPolarHBondContact CA-OD2 3.4Å; G173-D538 PolarHBondContact N-OD2 3.36Å
174C70.7Confident76.7Confident24 Ų2455.5 Ų55.516%0.16232%0.32CS..Hα-helixtrans-61.2-37.4174.861.50000112.9P172 N178 T179P172-C174 VanDerWaalsContact C-N 3.28Å; P172-C174 PolarHBondContact O-N 3.26Å; C174-N178 WeakPolarHBondContact O-CA 3.47Å; C174-N178 WeakPolarHBondContact O-CB 3.38Å; C174-N178 PolarHBondContact O-N 3.25Å; C174-T179 PolarHBondContact O-N 2.89Å
175T76.9Confident77.1Confident29 Ų2951.4 Ų51.418%0.17829%0.292CS..Hα-helixtrans-66.1-42.8176.2-61.80000110.8P172 G173 T179 P180 H185P172-T175 WeakPolarHBondContact O-CB 3.33Å; P172-T175 PolarHBondContact O-N 3.01Å; G173-T175 VanDerWaalsContact C-N 3.32Å; G173-T175 PolarHBondContact O-N 3.22Å; T175-T179 CarbonylContact O-C 3.59Å; T175-P180 WeakPolarHBondContact O-CA 3.29Å; T175-H185 VanDerWaalsContact CG2-CE1 3.48Å; T175-H185 WeakPolarHBondContact CG2-CE1 3.41Å
176I79.8Confident77.7Confident1 Ų149.5 Ų49.51%0.00528%0.284CS..Hα-helixtrans-70.3-43.9179.2-60.8-52.5000111.4F171 P172 G173 H185 V188 W189 Y192 R359F171-I176 HydrophobicContact CB-CD1 3.61Å; F171-I176 HydrophobicContact CB-CG1 3.88Å; F171-I176 HydrophobicContact CG-CD1 4.18Å; P172-I176 PolarHBondContact O-N 3.07Å; P172-I176 VanDerWaalsContact O-N 3.14Å; G173-I176 PolarHBondContact O-N 3.34Å; I176-H185 HydrophobicContact CD1-CB 3.77Å; I176-V188 HydrophobicContact CD1-CB 4.02Å; I176-V188 HydrophobicContact CD1-CG1 3.95Å; I176-V188 HydrophobicContact CG1-CG1 4.17Å; I176-V188 HydrophobicContact CG2-CG1 4.39Å; I176-W189 HydrophobicContact CG2-CB 3.78Å; I176-W189 HydrophobicContact CG2-CG 4.45Å; I176-Y192 HydrophobicContact CG2-CD2 4Å; I176-Y192 HydrophobicContact CG2-CE2 4.13Å; I176-R359 PolarHBondContact O-NH2 2.88Å
177R79.1Confident78.6Confident43 Ų4345.7 Ų45.716%0.16226%0.259CS..Hα-helixtrans-82.7-42.7-171.7-66.8169.667.9-171.82.6113.7G173 E206 S208 D210 R359G173-R177 VanDerWaalsContact O-CB 3.25Å; G173-R177 WeakPolarHBondContact O-CB 3.39Å; G173-R177 WeakPolarHBondContact O-CG 3.37Å; G173-R177 PolarHBondContact O-N 3.42Å; R177-E206 WeakPolarHBondContact CD-O 3.5Å; R177-E206 WeakPolarHBondContact CG-O 3.47Å; R177-S208 PolarHBondContact NE-O 3.33Å; R177-S208 PolarHBondContact NH2-O 3.08Å; R177-D210 HydrophobicContact CB-CB 4.39Å; R177-D210 VanDerWaalsContact CZ-CB 3.48Å; R177-D210 IonicContact NH1-OD1 3.04Å; R177-D210 IonicContact NH1-OD2 2.72Å; R177-R359 PolarHBondContact O-NH2 3.1Å
178N76.6Confident79.6Confident0 Ų043.2 Ų43.20%024%0.236CC..THydrogen-bonded Turntrans-108-51.3-171.2-66.4-11.8000112.9C174 P180 P209 D210 D213 L267 L273 F363C174-N178 WeakPolarHBondContact O-CA 3.47Å; C174-N178 WeakPolarHBondContact O-CB 3.38Å; C174-N178 PolarHBondContact O-N 3.25Å; N178-P180 VanDerWaalsContact C-CD 3.46Å; N178-P180 WeakPolarHBondContact O-CD 3.47Å; N178-P209 WeakPolarHBondContact OD1-CA 3.35Å; N178-D210 PolarHBondContact ND2-O 3.2Å; N178-D210 PolarHBondContact OD1-N 3.32Å; N178-D213 VanDerWaalsContact ND2-CB 3.32Å; N178-D213 WeakPolarHBondContact ND2-CB 3.5Å; N178-D213 PolarHBondContact ND2-OD2 2.96Å; N178-L267 HydrophobicContact CB-CD1 3.95Å; N178-L267 WeakPolarHBondContact O-CD2 3.36Å; N178-L273 HydrophobicContact CB-CD1 4.12Å; N178-F363 WeakPolarHBondContact O-CE1 3.28Å
179T80.3Confident80.9Confident7 Ų737.6 Ų37.64%0.04321%0.21CC..  trans-128.462.7-166.966.20000114.6C174 T175 S181 L273 W274 R277C174-T179 PolarHBondContact O-N 2.89Å; T175-T179 CarbonylContact O-C 3.59Å; T179-S181 PolarHBondContact O-N 3.34Å; T179-L273 HydrophobicContact CG2-CB 4.28Å; T179-L273 HydrophobicContact CG2-CD1 4.04Å; T179-L273 HydrophobicContact CG2-CD2 4.06Å; T179-L273 HydrophobicContact CG2-CG 4.37Å; T179-W274 HydrophobicContact CG2-CH2 4.09Å; T179-W274 HydrophobicContact CG2-CZ3 4.48Å; T179-R277 PolarHBondContact OG1-NH1 2.96Å
180P85.9Confident82.2Confident8 Ų831.8 Ų31.85%0.05219%0.185CC..  trans-66.3122.2176.428.8-36.1000110.6T175 N178 H185 F363 M365T175-P180 WeakPolarHBondContact O-CA 3.29Å; N178-P180 VanDerWaalsContact C-CD 3.46Å; N178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-H185 HydrophobicContact CB-CB 3.68Å; P180-F363 HydrophobicContact CG-CB 4.49Å; P180-F363 HydrophobicContact CG-CD1 3.8Å; P180-F363 HydrophobicContact CG-CD2 3.57Å; P180-F363 HydrophobicContact CG-CE1 3.81Å; P180-F363 HydrophobicContact CG-CE2 3.58Å; P180-F363 HydrophobicContact CG-CG 3.69Å; P180-F363 HydrophobicContact CG-CZ 3.7Å; P180-M365 HydrophobicContact CB-CE 4.16Å; P180-M365 HydrophobicContact CG-CE 4.42Å; P180-M365 WeakPolarHBondContact O-CE 3.49Å
181S85.4Confident83.3Confident79 Ų7928 Ų2855%0.55216%0.157SC*.  trans-103.4-16.7176.853.70000115T179 H185T179-S181 PolarHBondContact O-N 3.34Å; S181-H185 PolarHBondContact N-ND1 3.25Å; S181-H185 PolarHBondContact OG-CE1 3.06Å; S181-H185 VanDerWaalsContact OG-CE1 3.3Å
182E86.8Confident84.2Confident106 Ų10628.4 Ų28.450%0.49516%0.158SC..SBendtrans-127.5151-176.7-63.6-171.5178.600111.4I184 H185E182-I184 HydrophobicContact CB-CG2 3.96Å; E182-I184 PolarHBondContact O-N 3.35Å; E182-I184 VanDerWaalsContact O-N 3.15Å; E182-H185 PolarHBondContact N-ND1 2.94Å; E182-H185 WeakPolarHBondContact O-CB 3.07Å; E182-H185 PolarHBondContact O-N 3.21Å
183P90.3Very high85.3Confident34 Ų3425.3 Ų25.322%0.22114%0.137CC..Hα-helixtrans-54.7-33.9177.7-29.837.5000114.1H185 C186 I187 M360 K368P183-H185 VanDerWaalsContact C-N 3.29Å; P183-H185 PolarHBondContact O-N 3.41Å; P183-C186 PolarHBondContact O-N 3Å; P183-I187 WeakPolarHBondContact O-CG1 3.37Å; P183-I187 PolarHBondContact O-N 2.92Å; P183-I187 VanDerWaalsContact O-N 3.15Å; P183-M360 HydrophobicContact CB-CE 4.3Å; P183-M360 HydrophobicContact CB-SD 3.86Å; P183-M360 HydrophobicContact CG-SD 4.5Å; P183-K368 HydrophobicContact CB-CD 3.85Å; P183-K368 HydrophobicContact CG-CD 4.42Å; P183-K368 VanDerWaalsContact CG-CE 3.42Å
184I88Confident86.7Confident35 Ų3524.6 Ų24.618%0.17913%0.129CC..Hα-helixtrans-62-36.1177.9-172.261.7000111.8F171 E182 C186 I187 V188 M376F171-I184 HydrophobicContact CE1-CG2 4.04Å; F171-I184 HydrophobicContact CE2-CG1 3.86Å; F171-I184 HydrophobicContact CE2-CG2 4.4Å; F171-I184 HydrophobicContact CZ-CB 4.43Å; F171-I184 HydrophobicContact CZ-CG1 3.81Å; F171-I184 HydrophobicContact CZ-CG2 3.68Å; E182-I184 HydrophobicContact CB-CG2 3.96Å; E182-I184 PolarHBondContact O-N 3.35Å; E182-I184 VanDerWaalsContact O-N 3.15Å; I184-C186 VanDerWaalsContact C-N 3.3Å; I184-C186 PolarHBondContact O-N 2.75Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.11Å; I184-V188 HydrophobicContact CD1-CG2 4.49Å; I184-V188 HydrophobicContact CG1-CG2 4.38Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 3.05Å; I184-M376 HydrophobicContact CD1-CB 3.95Å; I184-M376 HydrophobicContact CD1-CG 4.29Å
185H87.4Confident87.6Confident11 Ų1125.1 Ų25.15%0.05113%0.131CC..Hα-helixtrans-62.7-38.2176.7-55.1158.3000111.7F171 T175 I176 P180 S181 E182 P183 I187 W189F171-H185 AromaticContact CD1-CD2 3.38Å; F171-H185 WeakPolarHBondContact CD1-CD2 3.28Å; F171-H185 AromaticContact CD1-NE2 3.25Å; F171-H185 VanDerWaalsContact CD1-NE2 3.25Å; F171-H185 WeakPolarHBondContact CD1-NE2 3.46Å; F171-H185 AromaticContact CE1-CD2 3.6Å; F171-H185 AromaticContact CE1-NE2 3.41Å; F171-H185 WeakPolarHBondContact CE1-NE2 3.26Å; F171-H185 AromaticContact CG-CD2 3.86Å; T175-H185 VanDerWaalsContact CG2-CE1 3.48Å; T175-H185 WeakPolarHBondContact CG2-CE1 3.41Å; I176-H185 HydrophobicContact CD1-CB 3.77Å; P180-H185 HydrophobicContact CB-CB 3.68Å; S181-H185 PolarHBondContact N-ND1 3.25Å; S181-H185 PolarHBondContact OG-CE1 3.06Å; S181-H185 VanDerWaalsContact OG-CE1 3.3Å; E182-H185 PolarHBondContact N-ND1 2.94Å; E182-H185 WeakPolarHBondContact O-CB 3.07Å; E182-H185 PolarHBondContact O-N 3.21Å; P183-H185 VanDerWaalsContact C-N 3.29Å; P183-H185 PolarHBondContact O-N 3.41Å; H185-I187 VanDerWaalsContact C-N 3.35Å; H185-W189 WeakPolarHBondContact O-CB 3.42Å; H185-W189 PolarHBondContact O-N 3.25Å
186C94.1Very high88.1Confident0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-69.3-33.2175.4-63.80000112.6P183 I184 A190 A356 R359 M360 M365P183-C186 PolarHBondContact O-N 3Å; I184-C186 VanDerWaalsContact C-N 3.3Å; I184-C186 PolarHBondContact O-N 2.75Å; C186-A190 WeakPolarHBondContact O-CB 3.42Å; C186-A190 PolarHBondContact O-N 3.48Å; C186-A356 HydrophobicContact CB-CB 4.44Å; C186-R359 HydrophobicContact CB-CB 4.24Å; C186-R359 HydrophobicContact CB-CG 4.38Å; C186-M360 HydrophobicContact CB-CE 4.28Å; C186-M360 HydrophobicContact CB-CG 3.71Å; C186-M365 WeakPolarHBondContact SG-CE 3.5Å
187I93.3Very high88.6Confident1 Ų123.8 Ų23.81%0.00512%0.122CC..Hα-helixtrans-71-44.7177-65169.4000110.4P183 I184 H185 A190 K191 V352 A356 M360 V373 M376 A377P183-I187 WeakPolarHBondContact O-CG1 3.37Å; P183-I187 PolarHBondContact O-N 2.92Å; P183-I187 VanDerWaalsContact O-N 3.15Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.11Å; H185-I187 VanDerWaalsContact C-N 3.35Å; I187-A190 PolarHBondContact O-N 2.98Å; I187-A190 VanDerWaalsContact O-N 3.17Å; I187-K191 PolarHBondContact O-N 3.48Å; I187-V352 HydrophobicContact CG2-CG1 4.37Å; I187-A356 HydrophobicContact CB-CB 4.48Å; I187-A356 HydrophobicContact CG1-CB 3.89Å; I187-M360 HydrophobicContact CD1-CE 4.37Å; I187-M360 HydrophobicContact CG1-CE 4Å; I187-V373 HydrophobicContact CD1-CB 4.4Å; I187-V373 HydrophobicContact CD1-CG1 4.17Å; I187-V373 HydrophobicContact CD1-CG2 4.19Å; I187-V373 HydrophobicContact CG1-CG1 4.06Å; I187-V373 HydrophobicContact CG1-CG2 4.45Å; I187-V373 HydrophobicContact CG2-CG1 4.37Å; I187-M376 HydrophobicContact CD1-CB 3.71Å; I187-M376 HydrophobicContact CD1-CE 3.59Å; I187-M376 HydrophobicContact CD1-CG 4.35Å; I187-M376 HydrophobicContact CD1-SD 3.72Å; I187-A377 HydrophobicContact CG2-CB 3.62Å
188V88.1Confident89.2Confident22 Ų2221.8 Ų21.813%0.13312%0.115CC..Hα-helixtrans-59.7-46.6173.8173.10000110.3F171 I176 I184 A190 K191 Y192F171-V188 HydrophobicContact CD2-CG2 4.02Å; F171-V188 HydrophobicContact CE2-CG2 4.12Å; I176-V188 HydrophobicContact CD1-CB 4.02Å; I176-V188 HydrophobicContact CD1-CG1 3.95Å; I176-V188 HydrophobicContact CG1-CG1 4.17Å; I176-V188 HydrophobicContact CG2-CG1 4.39Å; I184-V188 HydrophobicContact CD1-CG2 4.49Å; I184-V188 HydrophobicContact CG1-CG2 4.38Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 3.05Å; V188-A190 VanDerWaalsContact C-N 3.28Å; V188-A190 PolarHBondContact O-N 3.27Å; V188-K191 PolarHBondContact O-N 3.47Å; V188-K191 VanDerWaalsContact O-N 3.13Å; V188-Y192 HydrophobicContact CG1-CD1 4.41Å; V188-Y192 HydrophobicContact CG1-CD2 4.28Å; V188-Y192 HydrophobicContact CG1-CE1 3.96Å; V188-Y192 HydrophobicContact CG1-CE2 3.79Å; V188-Y192 PolarHBondContact O-N 3.33Å
189W93.6Very high89.7Confident1 Ų121.8 Ų21.80%0.00412%0.115CC..Hα-helixtrans-57-40.6174.217985.3000112.8I176 H185 Y192 L193 V207 L259 F260 A355 R359I176-W189 HydrophobicContact CG2-CB 3.78Å; I176-W189 HydrophobicContact CG2-CG 4.45Å; H185-W189 WeakPolarHBondContact O-CB 3.42Å; H185-W189 PolarHBondContact O-N 3.25Å; W189-Y192 PolarHBondContact O-N 3.04Å; W189-L193 HydrophobicContact CH2-CD2 3.67Å; W189-L193 HydrophobicContact CZ2-CD2 4.25Å; W189-L193 HydrophobicContact CZ3-CD2 3.83Å; W189-L193 WeakPolarHBondContact O-CB 3.47Å; W189-L193 PolarHBondContact O-N 2.98Å; W189-V207 PolarHBondContact NE1-O 3.28Å; W189-V207 VanDerWaalsContact NE1-O 3.16Å; W189-L259 HydrophobicContact CH2-CB 4.44Å; W189-L259 HydrophobicContact CZ2-CD2 4.39Å; W189-F260 AromaticContact CH2-CE1 3.75Å; W189-F260 HydrophobicContact CH2-CE1 3.75Å; W189-F260 HydrophobicContact CH2-CZ 4.07Å; W189-F260 AromaticContact CZ3-CE1 3.87Å; W189-F260 HydrophobicContact CZ3-CE1 3.87Å; W189-F260 HydrophobicContact CZ3-CZ 4.16Å; W189-A355 HydrophobicContact CZ3-CB 4.19Å; W189-R359 HydrophobicContact CE3-CB 4.31Å; W189-R359 HydrophobicContact CE3-CG 4.4Å; W189-R359 VanDerWaalsContact CG-CZ 3.42Å; W189-R359 VanDerWaalsContact CG-NE 3.34Å; W189-R359 VanDerWaalsContact CZ2-NH1 3.26Å; W189-R359 HydrophobicContact CZ3-CB 4.29Å; W189-R359 VanDerWaalsContact NE1-CZ 3.34Å
190A95.4Very high89.8Confident0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-69.4-32.4179.200000112.8C186 I187 V188 F194 V352 A355 A356C186-A190 WeakPolarHBondContact O-CB 3.42Å; C186-A190 PolarHBondContact O-N 3.48Å; I187-A190 PolarHBondContact O-N 2.98Å; I187-A190 VanDerWaalsContact O-N 3.17Å; V188-A190 VanDerWaalsContact C-N 3.28Å; V188-A190 PolarHBondContact O-N 3.27Å; A190-F194 PolarHBondContact O-N 3.15Å; A190-V352 HydrophobicContact CB-CB 4.49Å; A190-V352 HydrophobicContact CB-CG1 4.06Å; A190-A355 HydrophobicContact CB-CB 3.92Å; A190-A356 HydrophobicContact CB-CB 3.84Å
191K92.1Very high89.3Confident54 Ų5432.4 Ų32.424%0.23516%0.164CC..Hα-helixtrans-67.6-45.1171.1-70.2-179.468.6176.60111.5I187 V188 L193 F194 N195 V352 A377I187-K191 PolarHBondContact O-N 3.48Å; V188-K191 PolarHBondContact O-N 3.47Å; V188-K191 VanDerWaalsContact O-N 3.13Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.02Å; K191-F194 WeakPolarHBondContact O-CB 3.23Å; K191-F194 PolarHBondContact O-N 3.03Å; K191-F194 VanDerWaalsContact O-N 3.11Å; K191-N195 PolarHBondContact O-N 2.99Å; K191-N195 VanDerWaalsContact O-N 3.09Å; K191-V352 HydrophobicContact CG-CG1 4.27Å; K191-V352 HydrophobicContact CG-CG2 4.3Å; K191-A377 HydrophobicContact CD-CB 4.21Å; K191-A377 PolarHBondContact NZ-O 3.5Å
192Y90.3Very high88.7Confident59 Ų5931.2 Ų31.223%0.23115%0.151CC..Hα-helixtrans-59-42.7174.1-71.2-2.4000111.3I176 V188 W189 F194 N195 Q196 Q205I176-Y192 HydrophobicContact CG2-CD2 4Å; I176-Y192 HydrophobicContact CG2-CE2 4.13Å; V188-Y192 HydrophobicContact CG1-CD1 4.41Å; V188-Y192 HydrophobicContact CG1-CD2 4.28Å; V188-Y192 HydrophobicContact CG1-CE1 3.96Å; V188-Y192 HydrophobicContact CG1-CE2 3.79Å; V188-Y192 PolarHBondContact O-N 3.33Å; W189-Y192 PolarHBondContact O-N 3.04Å; Y192-F194 VanDerWaalsContact C-N 3.31Å; Y192-F194 PolarHBondContact O-N 3.13Å; Y192-N195 PolarHBondContact O-N 3.24Å; Y192-Q196 WeakPolarHBondContact O-CB 3.46Å; Y192-Q196 VanDerWaalsContact O-CG 3.25Å; Y192-Q196 WeakPolarHBondContact O-CG 3.48Å; Y192-Q196 PolarHBondContact O-N 2.64Å; Y192-Q205 WeakPolarHBondContact CB-O 3.28Å; Y192-Q205 HydrophobicContact CD1-CB 3.68Å; Y192-Q205 HydrophobicContact CD1-CG 3.53Å; Y192-Q205 HydrophobicContact CD2-CB 4.06Å; Y192-Q205 HydrophobicContact CD2-CG 4.41Å; Y192-Q205 HydrophobicContact CE1-CB 4.16Å; Y192-Q205 HydrophobicContact CE1-CG 3.55Å; Y192-Q205 HydrophobicContact CE2-CG 4.43Å; Y192-Q205 HydrophobicContact CG-CB 3.63Å; Y192-Q205 HydrophobicContact CG-CG 3.99Å
193L93.2Very high88Confident0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-61.6-38.7175.1-17767.5000112.3W189 K191 L197 V207 L259 F351 A355W189-L193 HydrophobicContact CH2-CD2 3.67Å; W189-L193 HydrophobicContact CZ2-CD2 4.25Å; W189-L193 HydrophobicContact CZ3-CD2 3.83Å; W189-L193 WeakPolarHBondContact O-CB 3.47Å; W189-L193 PolarHBondContact O-N 2.98Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.02Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.89Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.25Å; L193-V207 HydrophobicContact CB-CG1 3.98Å; L193-V207 HydrophobicContact CD1-CB 4.45Å; L193-V207 HydrophobicContact CD1-CG1 4.43Å; L193-V207 HydrophobicContact CD1-CG2 3.89Å; L193-L259 HydrophobicContact CD1-CD1 3.8Å; L193-L259 HydrophobicContact CD1-CD2 3.82Å; L193-L259 HydrophobicContact CD1-CG 4.49Å; L193-L259 HydrophobicContact CD2-CD1 3.76Å; L193-L259 HydrophobicContact CG-CD1 4.39Å; L193-F351 HydrophobicContact CB-CE1 4.43Å; L193-F351 HydrophobicContact CD2-CE1 4.17Å; L193-F351 HydrophobicContact CD2-CZ 3.64Å; L193-F351 HydrophobicContact CG-CE1 4.19Å; L193-F351 HydrophobicContact CG-CZ 3.82Å; L193-A355 HydrophobicContact CD2-CB 4.18Å
194F94.4Very high86.9Confident2 Ų232.8 Ų32.81%0.00917%0.172CC..Hα-helixtrans-60.9-48175.6178.7-82.6000110.9A190 K191 Y192 L197 F198 G199 L326 L339 W341 A348 F351A190-F194 PolarHBondContact O-N 3.15Å; K191-F194 WeakPolarHBondContact O-CB 3.23Å; K191-F194 PolarHBondContact O-N 3.03Å; K191-F194 VanDerWaalsContact O-N 3.11Å; Y192-F194 VanDerWaalsContact C-N 3.31Å; Y192-F194 PolarHBondContact O-N 3.13Å; F194-L197 PolarHBondContact O-N 3.42Å; F194-F198 AromaticContact CD2-CD2 3.92Å; F194-F198 HydrophobicContact CD2-CD2 3.92Å; F194-F198 HydrophobicContact CE1-CB 4.49Å; F194-F198 HydrophobicContact CE2-CD2 4.14Å; F194-F198 HydrophobicContact CG-CD2 4.37Å; F194-F198 HydrophobicContact CZ-CB 4.38Å; F194-F198 PolarHBondContact O-N 2.9Å; F194-G199 PolarHBondContact O-N 3.02Å; F194-L326 HydrophobicContact CD2-CD1 4.09Å; F194-L326 HydrophobicContact CE2-CD1 3.73Å; F194-L326 HydrophobicContact CE2-CD2 3.8Å; F194-L326 HydrophobicContact CE2-CG 4.42Å; F194-L326 HydrophobicContact CZ-CD2 4.35Å; F194-L339 HydrophobicContact CE1-CB 4.35Å; F194-L339 HydrophobicContact CZ-CB 4.11Å; F194-W341 HydrophobicContact CD1-CB 3.66Å; F194-W341 AromaticContact CD1-CD1 3.9Å; F194-W341 HydrophobicContact CD1-CG 4.18Å; F194-W341 HydrophobicContact CE1-CB 3.61Å; F194-W341 HydrophobicContact CE1-CG 4.33Å; F194-W341 HydrophobicContact CG-CB 4.47Å; F194-W341 AromaticContact CG-CD1 3.86Å; F194-W341 HydrophobicContact CZ-CB 4.36Å; F194-A348 HydrophobicContact CD2-CB 4.4Å; F194-A348 HydrophobicContact CE2-CB 3.62Å; F194-A348 HydrophobicContact CZ-CB 3.99Å; F194-F351 HydrophobicContact CB-CD1 3.93Å; F194-F351 HydrophobicContact CB-CE1 3.81Å; F194-F351 AromaticContact CD2-CD1 3.8Å; F194-F351 HydrophobicContact CD2-CD1 3.8Å; F194-F351 HydrophobicContact CD2-CE1 4.35Å; F194-F351 HydrophobicContact CD2-CG 4.39Å; F194-F351 HydrophobicContact CG-CD1 4.37Å
195N89Confident86.4Confident35 Ų3532.9 Ų32.919%0.18717%0.172CC..Hα-helixtrans-63.7-46178.9-71.1-15.1000111.3K191 Y192 L197 G199 Q205K191-N195 PolarHBondContact O-N 2.99Å; K191-N195 VanDerWaalsContact O-N 3.09Å; Y192-N195 PolarHBondContact O-N 3.24Å; N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 3.32Å; N195-G199 CarbonylContact O-C 3.16Å; N195-G199 VanDerWaalsContact O-CA 3.28Å; N195-G199 WeakPolarHBondContact O-CA 3.44Å; N195-G199 PolarHBondContact O-N 3.08Å; N195-G199 VanDerWaalsContact O-O 3.11Å; N195-Q205 PolarHBondContact ND2-OE1 3.48Å
196Q87.2Confident86Confident2 Ų234.9 Ų34.91%0.00918%0.181CC..Hα-helixtrans-60-31.8176.6-72.8-67.4-31.900113.8Y192 D202 Q205 V207 K242Y192-Q196 WeakPolarHBondContact O-CB 3.46Å; Y192-Q196 VanDerWaalsContact O-CG 3.25Å; Y192-Q196 WeakPolarHBondContact O-CG 3.48Å; Y192-Q196 PolarHBondContact O-N 2.64Å; Q196-D202 PolarHBondContact NE2-O 2.8Å; Q196-Q205 VanDerWaalsContact CG-O 3.32Å; Q196-Q205 WeakPolarHBondContact CG-O 3.21Å; Q196-V207 HydrophobicContact CG-CG1 4.42Å; Q196-V207 HydrophobicContact CG-CG2 4.46Å; Q196-K242 WeakPolarHBondContact O-CB 3.23Å; Q196-K242 WeakPolarHBondContact O-CG 3.3Å
197L89.9Confident85.3Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-91.2-42.4179.9-69.2178.4000113.1L193 F194 N195 T241 A245 Y250 L255 F351L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.89Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.25Å; F194-L197 PolarHBondContact O-N 3.42Å; N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 3.32Å; L197-T241 HydrophobicContact CD2-CG2 3.98Å; L197-A245 HydrophobicContact CD2-CB 3.53Å; L197-Y250 HydrophobicContact CB-CE1 4.4Å; L197-Y250 VanDerWaalsContact O-CE1 3.26Å; L197-Y250 WeakPolarHBondContact O-CE1 3.38Å; L197-Y250 PolarHBondContact O-OH 3.05Å; L197-L255 HydrophobicContact CD1-CD2 4.3Å; L197-L255 HydrophobicContact CD2-CD2 3.83Å; L197-F351 HydrophobicContact CD1-CE2 4.25Å; L197-F351 HydrophobicContact CD1-CZ 3.83Å
198F91.3Very high84.7Confident1 Ų135.4 Ų35.40%0.00419%0.185CC..Hα-helixtrans-123.6-21.7-167-52.7-71.2000113.9F194 Y250 V323 L326 L330 L339 F351F194-F198 AromaticContact CD2-CD2 3.92Å; F194-F198 HydrophobicContact CD2-CD2 3.92Å; F194-F198 HydrophobicContact CE1-CB 4.49Å; F194-F198 HydrophobicContact CE2-CD2 4.14Å; F194-F198 HydrophobicContact CG-CD2 4.37Å; F194-F198 HydrophobicContact CZ-CB 4.38Å; F194-F198 PolarHBondContact O-N 2.9Å; F198-Y250 HydrophobicContact CD1-CE1 4.31Å; F198-Y250 AromaticContact CE1-CD1 3.93Å; F198-Y250 HydrophobicContact CE1-CD1 3.93Å; F198-Y250 HydrophobicContact CE1-CE1 4.1Å; F198-V323 HydrophobicContact CZ-CG1 4.44Å; F198-L326 HydrophobicContact CD1-CB 4Å; F198-L326 HydrophobicContact CD2-CB 4.41Å; F198-L326 HydrophobicContact CD2-CD1 3.93Å; F198-L326 HydrophobicContact CE1-CB 3.74Å; F198-L326 HydrophobicContact CE2-CB 4.17Å; F198-L326 HydrophobicContact CE2-CD1 3.63Å; F198-L326 HydrophobicContact CG-CB 4.33Å; F198-L326 HydrophobicContact CZ-CB 3.83Å; F198-L326 HydrophobicContact CZ-CD1 4.05Å; F198-L330 HydrophobicContact CD1-CD2 4.42Å; F198-L339 HydrophobicContact CB-CB 4.15Å; F198-L339 HydrophobicContact CB-CD1 4.05Å; F198-L339 HydrophobicContact CB-CG 4.26Å; F198-L339 PolarHBondContact O-N 2.93Å; F198-F351 HydrophobicContact CE2-CD2 4.14Å; F198-F351 AromaticContact CE2-CE2 3.91Å; F198-F351 HydrophobicContact CE2-CE2 3.91Å; F198-F351 HydrophobicContact CE2-CZ 4.11Å
199G88.3Confident84.2Confident1 Ų134.6 Ų34.61%0.0118%0.18CC..SBendtrans-105.6-159.1-176.800000113.7F194 N195 K242 L339F194-G199 PolarHBondContact O-N 3.02Å; N195-G199 CarbonylContact O-C 3.16Å; N195-G199 VanDerWaalsContact O-CA 3.28Å; N195-G199 WeakPolarHBondContact O-CA 3.44Å; N195-G199 PolarHBondContact O-N 3.08Å; N195-G199 VanDerWaalsContact O-O 3.11Å; G199-K242 PolarHBondContact O-NZ 3.32Å; G199-L339 WeakPolarHBondContact CA-O 3.38Å
200E82.5Confident83.1Confident145 Ų14535.1 Ų35.168%0.67818%0.183SC*.  trans-67.8134.7175.5-169.9171-17100110.4D202 E338E200-D202 PolarHBondContact O-N 2.98Å; E200-E338 WeakPolarHBondContact CA-OE2 3.36Å; E200-E338 WeakPolarHBondContact CB-OE2 3.48Å
201E75.4Confident81.9Confident92 Ų9238.3 Ų38.343%0.4320%0.203SC..  trans-74.9121.8175.4-73-172.6-174.100109.8K242E201-K242 HydrophobicContact CG-CB 4.44Å; E201-K242 HydrophobicContact CG-CD 3.53Å; E201-K242 WeakPolarHBondContact OE1-CB 3.48Å; E201-K242 WeakPolarHBondContact OE1-CD 3.08Å
202D72.8Confident80.5Confident54 Ų5438.9 Ų38.929%0.28922%0.217SC..  trans-122.7120.6175.1-179.6-7.9000108.8Q196 E200 D204 Q205Q196-D202 PolarHBondContact NE2-O 2.8Å; E200-D202 PolarHBondContact O-N 2.98Å; D202-D204 PolarHBondContact O-N 3.27Å; D202-D204 WeakPolarHBondContact OD1-CB 3.49Å; D202-D204 PolarHBondContact OD1-N 2.91Å; D202-Q205 HydrophobicContact CB-CB 4.05Å; D202-Q205 HydrophobicContact CB-CG 3.84Å; D202-Q205 WeakPolarHBondContact O-CA 3.3Å; D202-Q205 PolarHBondContact O-N 2.86Å; D202-Q205 WeakPolarHBondContact OD2-CG 3.43Å; D202-Q205 PolarHBondContact OD2-NE2 3.17Å
203A70.8Confident79.1Confident81 Ų8136.2 Ų36.267%0.66921%0.207SC*.G310 helixtrans-61.1-28.2-178.700000112.6Q205 E206A203-Q205 PolarHBondContact O-N 3.11Å; A203-E206 WeakPolarHBondContact O-CG 3.37Å
204D68.1Low77.7Confident92 Ų9240.4 Ų40.449%0.49223%0.234SC..G310 helixtrans-77.5-14.9178-61.5-29.1000111.9D202 K464D202-D204 PolarHBondContact O-N 3.27Å; D202-D204 WeakPolarHBondContact OD1-CB 3.49Å; D202-D204 PolarHBondContact OD1-N 2.91Å; D204-K464 IonicContact OD1-NZ 3.43Å; D204-K464 IonicContact OD2-NZ 2.63Å; D204-K464 PolarHBondContact OD2-NZ 3.04Å
205Q77.6Confident76.2Confident37 Ų3745.5 Ų45.517%0.17326%0.258CS..G310 helixtrans-102.626.6178.3-57.2-175.229.500112.2Y192 N195 Q196 D202 A203Y192-Q205 WeakPolarHBondContact CB-O 3.28Å; Y192-Q205 HydrophobicContact CD1-CB 3.68Å; Y192-Q205 HydrophobicContact CD1-CG 3.53Å; Y192-Q205 HydrophobicContact CD2-CB 4.06Å; Y192-Q205 HydrophobicContact CD2-CG 4.41Å; Y192-Q205 HydrophobicContact CE1-CB 4.16Å; Y192-Q205 HydrophobicContact CE1-CG 3.55Å; Y192-Q205 HydrophobicContact CE2-CG 4.43Å; Y192-Q205 HydrophobicContact CG-CB 3.63Å; Y192-Q205 HydrophobicContact CG-CG 3.99Å; N195-Q205 PolarHBondContact ND2-OE1 3.48Å; Q196-Q205 VanDerWaalsContact CG-O 3.32Å; Q196-Q205 WeakPolarHBondContact CG-O 3.21Å; D202-Q205 HydrophobicContact CB-CB 4.05Å; D202-Q205 HydrophobicContact CB-CG 3.84Å; D202-Q205 WeakPolarHBondContact O-CA 3.3Å; D202-Q205 PolarHBondContact O-N 2.86Å; D202-Q205 WeakPolarHBondContact OD2-CG 3.43Å; D202-Q205 PolarHBondContact OD2-NE2 3.17Å; A203-Q205 PolarHBondContact O-N 3.11Å
206E77.9Confident74.8Confident53 Ų5344 Ų4425%0.24825%0.251CS..  trans-65137.1176.7-89.1-68.4178.800112.3R177 A203R177-E206 WeakPolarHBondContact CD-O 3.5Å; R177-E206 WeakPolarHBondContact CG-O 3.47Å; A203-E206 WeakPolarHBondContact O-CG 3.37Å
207V81Confident73.4Confident2 Ų246.1 Ų46.11%0.01227%0.269CS..  trans-107.7-19.3-171.8-70.10000113.9W189 L193 Q196 T241W189-V207 PolarHBondContact NE1-O 3.28Å; W189-V207 VanDerWaalsContact NE1-O 3.16Å; L193-V207 HydrophobicContact CB-CG1 3.98Å; L193-V207 HydrophobicContact CD1-CB 4.45Å; L193-V207 HydrophobicContact CD1-CG1 4.43Å; L193-V207 HydrophobicContact CD1-CG2 3.89Å; Q196-V207 HydrophobicContact CG-CG1 4.42Å; Q196-V207 HydrophobicContact CG-CG2 4.46Å; V207-T241 HydrophobicContact CG2-CG2 4.13Å
208S80.4Confident71.7Confident10 Ų1049.6 Ų49.67%0.0728%0.282CS..SBendtrans-71.7148.6-179.3-67.30000110.6R177 D210 K258R177-S208 PolarHBondContact NE-O 3.33Å; R177-S208 PolarHBondContact NH2-O 3.08Å; S208-D210 PolarHBondContact O-N 2.91Å; S208-K258 PolarHBondContact OG-NZ 3.44Å
209P77.3Confident69.7Low5 Ų553.4 Ų53.43%0.03230%0.302CS..  trans-49.1133.3-179.9-3035.6000113.7N178 T211 R238 D263 Y266 L267 M270N178-P209 WeakPolarHBondContact OD1-CA 3.35Å; P209-T211 PolarHBondContact O-N 3.47Å; P209-R238 PolarHBondContact O-NH2 3.37Å; P209-D263 HydrophobicContact CG-CB 4.11Å; P209-D263 WeakPolarHBondContact CG-O 3.29Å; P209-Y266 HydrophobicContact CB-CD1 3.93Å; P209-Y266 HydrophobicContact CB-CE1 4.3Å; P209-Y266 HydrophobicContact CG-CD1 4.14Å; P209-L267 HydrophobicContact CB-CD1 4.39Å; P209-L267 HydrophobicContact CG-CB 4.26Å; P209-M270 HydrophobicContact CB-CE 4.38Å
210D71.1Confident67.8Low13 Ų1358.7 Ų58.77%0.0734%0.336CS..  trans-84107.2-179.5-172.73.4000110.5R177 N178 S208 A212 D213 R537R177-D210 HydrophobicContact CB-CB 4.39Å; R177-D210 VanDerWaalsContact CZ-CB 3.48Å; R177-D210 IonicContact NH1-OD1 3.04Å; R177-D210 IonicContact NH1-OD2 2.72Å; N178-D210 PolarHBondContact ND2-O 3.2Å; N178-D210 PolarHBondContact OD1-N 3.32Å; S208-D210 PolarHBondContact O-N 2.91Å; D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 WeakPolarHBondContact OD1-CB 3.22Å; D210-A212 PolarHBondContact OD1-N 2.65Å; D210-D213 WeakPolarHBondContact O-CB 3.48Å; D210-R537 IonicContact OD1-NH2 2.77Å; D210-R537 IonicContact OD2-CZ 2.72Å; D210-R537 IonicContact OD2-NH2 3.91Å; D210-R537 PolarHBondContact OD2-NH2 3.15Å
211T69.3Low66.1Low67 Ų6759.7 Ų59.741%0.41134%0.341SS..THydrogen-bonded Turntrans-77.3-17.4178.650.10000113.1P209 D213 Y266 M270P209-T211 PolarHBondContact O-N 3.47Å; T211-D213 VanDerWaalsContact C-N 3.26Å; T211-Y266 HydrophobicContact CG2-CE1 3.72Å; T211-Y266 WeakPolarHBondContact CG2-OH 3.39Å; T211-M270 HydrophobicContact CG2-CE 3.88Å
212A63.3Low65Low65 Ų6559.4 Ų59.454%0.53734%0.343SS..THydrogen-bonded Turntrans-82.8-6.7179.700000111.8D210 R537D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 WeakPolarHBondContact OD1-CB 3.22Å; D210-A212 PolarHBondContact OD1-N 2.65Å; A212-R537 VanDerWaalsContact CB-NH2 3.3Å; A212-R537 PolarHBondContact O-NH1 3.08Å; A212-R537 PolarHBondContact O-NH2 3.04Å; A212-R537 VanDerWaalsContact O-NH2 3.1Å
213D60.9Low63.9Low4 Ų460.2 Ų60.22%0.02135%0.349CS..  trans-53.7126.6-175.9-179.8-18.9000111.7N178 D210 T211 E215 A216 A217N178-D213 VanDerWaalsContact ND2-CB 3.32Å; N178-D213 WeakPolarHBondContact ND2-CB 3.5Å; N178-D213 PolarHBondContact ND2-OD2 2.96Å; D210-D213 WeakPolarHBondContact O-CB 3.48Å; T211-D213 VanDerWaalsContact C-N 3.26Å; D213-E215 VanDerWaalsContact C-N 3.29Å; D213-E215 PolarHBondContact O-N 3.2Å; D213-E215 WeakPolarHBondContact OD1-CB 3.47Å; D213-E215 PolarHBondContact OD1-N 3.08Å; D213-A216 HydrophobicContact CB-CB 3.8Å; D213-A216 CarbonylContact O-C 3.59Å; D213-A216 WeakPolarHBondContact O-CB 3.17Å; D213-A216 PolarHBondContact O-N 2.94Å; D213-A216 VanDerWaalsContact O-N 3.1Å; D213-A217 PolarHBondContact O-N 2.67Å
214P62.9Low62.5Low87 Ų8759.1 Ų59.157%0.56534%0.34SS*.THydrogen-bonded Turntrans-69.5-28.9-174.6-5.424.1000111.9A216 A217P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A217 WeakPolarHBondContact O-CB 3.24Å; P214-A217 PolarHBondContact O-N 2.97Å
215E63.7Low61.4Low109 Ų10957.5 Ų57.551%0.50934%0.34SS..THydrogen-bonded Turntrans-72.5-25.4175-64.7-165.8175.300111.5D213 K272 L273 R277D213-E215 VanDerWaalsContact C-N 3.29Å; D213-E215 PolarHBondContact O-N 3.2Å; D213-E215 WeakPolarHBondContact OD1-CB 3.47Å; D213-E215 PolarHBondContact OD1-N 3.08Å; E215-K272 WeakPolarHBondContact O-CB 3.39Å; E215-L273 HydrophobicContact CB-CD2 3.53Å; E215-R277 IonicContact OE1-NH2 3.85Å; E215-R277 IonicContact OE2-CZ 2.75Å; E215-R277 IonicContact OE2-NH2 3.71Å; E215-R277 PolarHBondContact OE2-NH2 2.79Å
216A58.4Low60.1Low4 Ų461.3 Ų61.33%0.03335%0.353CS..THydrogen-bonded Turntrans-87.4-14.3175.400000113.4D213 P214 W218 M270 L273D213-A216 HydrophobicContact CB-CB 3.8Å; D213-A216 CarbonylContact O-C 3.59Å; D213-A216 WeakPolarHBondContact O-CB 3.17Å; D213-A216 PolarHBondContact O-N 2.94Å; D213-A216 VanDerWaalsContact O-N 3.1Å; P214-A216 VanDerWaalsContact C-N 3.27Å; A216-W218 PolarHBondContact O-N 3.3Å; A216-M270 HydrophobicContact CB-CB 4.14Å; A216-M270 HydrophobicContact CB-CG 4.14Å; A216-M270 HydrophobicContact CB-SD 3.71Å; A216-L273 HydrophobicContact CB-CD1 4.05Å; A216-L273 HydrophobicContact CB-CD2 4.21Å; A216-L273 HydrophobicContact CB-CG 4.1Å
217A57.8Low58.3Low47 Ų4761.5 Ų61.539%0.38836%0.363SS..PPolyproline II helixtrans-53.2121.9-172.900000111.7D213 P214 K272D213-A217 PolarHBondContact O-N 2.67Å; P214-A217 WeakPolarHBondContact O-CB 3.24Å; P214-A217 PolarHBondContact O-N 2.97Å; A217-K272 WeakPolarHBondContact O-CD 3.35Å; A217-K272 WeakPolarHBondContact O-CE 3.5Å; A217-K272 PolarHBondContact O-NZ 3.11Å
218W54.5Low56.3Low73 Ų7365.5 Ų65.528%0.27739%0.388SS..PPolyproline II helixtrans-67.9159.6177.5-59.3-34.2000111.5A216 D222A216-W218 PolarHBondContact O-N 3.3Å; W218-D222 HydrophobicContact CB-CB 4.15Å
219N50.9Low54.5Low80 Ų8067.7 Ų67.743%0.42841%0.407SS..PPolyproline II helixtrans-65.5148.5172.7-69.8-13.1000109.2E221 D222 T223 K272N219-E221 PolarHBondContact O-N 3.08Å; N219-D222 PolarHBondContact O-N 3.49Å; N219-T223 PolarHBondContact O-N 3.08Å; N219-T223 VanDerWaalsContact O-N 3.12Å; N219-T223 PolarHBondContact O-OG1 3.02Å; N219-T223 VanDerWaalsContact O-OG1 3.11Å; N219-K272 PolarHBondContact OD1-NZ 3.25Å
220P47.8Very low52.7Low113 Ų11371.3 Ų71.373%0.73443%0.432SS*.Hα-helixtrans-52-32.2-177.7-26.833.4000114.5A224P220-A224 PolarHBondContact O-N 2.99Å
221E47.2Very low51Low165 Ų16578.8 Ų78.877%0.77147%0.466SS*.Hα-helixtrans-70.4-36.4177.7-66.9175.8159.600113.2N219 A225N219-E221 PolarHBondContact O-N 3.08Å; E221-A225 PolarHBondContact O-N 2.92Å
222D52.6Low49.4Very low87 Ų8784.1 Ų84.147%0.46549%0.486SS..Hα-helixtrans-76.1-32.9176.9-67.8-44.2000111.7W218 N219 A225 R226W218-D222 HydrophobicContact CB-CB 4.15Å; N219-D222 PolarHBondContact O-N 3.49Å; D222-A225 PolarHBondContact O-N 3.1Å; D222-R226 PolarHBondContact O-N 3.3Å; D222-R226 VanDerWaalsContact O-N 3.11Å
223T48.5Very low48Very low70 Ų7086.4 Ų86.443%0.42949%0.49SS..Hα-helixtrans-65.2-40.8174.5-46.10000111.1N219 A227N219-T223 PolarHBondContact O-N 3.08Å; N219-T223 VanDerWaalsContact O-N 3.12Å; N219-T223 PolarHBondContact O-OG1 3.02Å; N219-T223 VanDerWaalsContact O-OG1 3.11Å; T223-A227 WeakPolarHBondContact O-CB 3.44Å; T223-A227 PolarHBondContact O-N 3.42Å
224A41.5Very low46.5Very low58 Ų5889.1 Ų89.148%0.47952%0.519SS..Hα-helixtrans-67.7-41.8176.100000112.6P220 R226 A227 T228P220-A224 PolarHBondContact O-N 2.99Å; A224-R226 VanDerWaalsContact C-N 3.31Å; A224-R226 PolarHBondContact O-N 3.11Å; A224-A227 PolarHBondContact O-N 3.17Å; A224-T228 PolarHBondContact O-N 3Å; A224-T228 PolarHBondContact O-OG1 3.21Å
225A44.3Very low45Very low58 Ų5891.6 Ų91.648%0.47953%0.528SS..Hα-helixtrans-65.1-32.7177.700000113E221 D222 T228 A229E221-A225 PolarHBondContact O-N 2.92Å; D222-A225 PolarHBondContact O-N 3.1Å; A225-T228 VanDerWaalsContact C-OG1 3.3Å; A225-T228 WeakPolarHBondContact CA-OG1 3.49Å; A225-T228 PolarHBondContact O-OG1 3.35Å; A225-A229 PolarHBondContact O-N 3.48Å
226R50.5Low43.8Very low118 Ų11892.6 Ų92.645%0.44554%0.535SS..Hα-helixtrans-83.4-30.2175.6-78.3-175.1165.2-177.4-3.3113.8D222 A224 T228 A229 S230D222-R226 PolarHBondContact O-N 3.3Å; D222-R226 VanDerWaalsContact O-N 3.11Å; A224-R226 VanDerWaalsContact C-N 3.31Å; A224-R226 PolarHBondContact O-N 3.11Å; R226-T228 PolarHBondContact O-N 2.97Å; R226-A229 PolarHBondContact O-N 3.47Å; R226-S230 WeakPolarHBondContact O-CB 3.39Å; R226-S230 PolarHBondContact O-N 3.4Å
227A41.8Very low42.9Very low57 Ų57102.3 Ų102.347%0.47157%0.571SS.*Hα-helixtrans-57.8-40.8168.900000111T223 A224 A229 S230 E231T223-A227 WeakPolarHBondContact O-CB 3.44Å; T223-A227 PolarHBondContact O-N 3.42Å; A224-A227 PolarHBondContact O-N 3.17Å; A227-A229 VanDerWaalsContact C-N 3.34Å; A227-A229 PolarHBondContact O-N 3.36Å; A227-S230 WeakPolarHBondContact O-CB 3.36Å; A227-S230 PolarHBondContact O-N 3.37Å; A227-E231 PolarHBondContact O-N 3.01Å
228T38.9Very low42.7Very low86 Ų86106.8 Ų106.853%0.52858%0.578SS.*Hα-helixtrans-69.3-25.3173.140.90000114.6A224 A225 R226A224-T228 PolarHBondContact O-N 3Å; A224-T228 PolarHBondContact O-OG1 3.21Å; A225-T228 VanDerWaalsContact C-OG1 3.3Å; A225-T228 WeakPolarHBondContact CA-OG1 3.49Å; A225-T228 PolarHBondContact O-OG1 3.35Å; R226-T228 PolarHBondContact O-N 2.97Å
229A40.9Very low43.2Very low56 Ų56107.2 Ų107.246%0.46359%0.588SS.*Hα-helixtrans-78.6-33173.700000112A225 R226 A227 E231 Q232 D233A225-A229 PolarHBondContact O-N 3.48Å; R226-A229 PolarHBondContact O-N 3.47Å; A227-A229 VanDerWaalsContact C-N 3.34Å; A227-A229 PolarHBondContact O-N 3.36Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.06Å; A229-Q232 PolarHBondContact O-N 3.25Å; A229-D233 PolarHBondContact O-N 2.88Å
230S40.8Very low44.3Very low81 Ų81104.5 Ų104.557%0.56658%0.575SS**Hα-helixtrans-67-21.7174.7173.40000113.6R226 A227 Q232R226-S230 WeakPolarHBondContact O-CB 3.39Å; R226-S230 PolarHBondContact O-N 3.4Å; A227-S230 WeakPolarHBondContact O-CB 3.36Å; A227-S230 PolarHBondContact O-N 3.37Å; S230-Q232 VanDerWaalsContact C-N 3.32Å
231E34.2Very low45.9Very low170 Ų17099.3 Ų99.379%0.79454%0.541SS*.THydrogen-bonded Turntrans-78.9-15.4174.4-73-175.6166.600113A227 A229A227-E231 PolarHBondContact O-N 3.01Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.06Å
232Q35.8Very low47.6Very low178 Ų17891.8 Ų91.883%0.83251%0.506SS*.THydrogen-bonded Turntrans-94.4-26.7176.2-71.7-174.5-500113.4A229 S230A229-Q232 PolarHBondContact O-N 3.25Å; S230-Q232 VanDerWaalsContact C-N 3.32Å
233D34.1Very low49.1Very low113 Ų11392.8 Ų92.860%0.60451%0.508SS*.SBendtrans-99.389174.5-127.80.6000107.9A229 D235A229-D233 PolarHBondContact O-N 2.88Å; D233-D235 PolarHBondContact O-N 3.27Å; D233-D235 VanDerWaalsContact O-N 3.12Å
234G29.2Very low50.9Low62 Ų6292.8 Ų92.864%0.63950%0.5SS*.THydrogen-bonded Turntrans-47.1118.4-168.800000113.5I236G234-I236 VanDerWaalsContact C-N 3.33Å; G234-I236 PolarHBondContact O-N 3.38Å
235D31.8Very low53.1Low139 Ų13990 Ų9074%0.74348%0.477SS*.THydrogen-bonded Turntrans24.962.2159.6-152.322000114.7D233 R237D233-D235 PolarHBondContact O-N 3.27Å; D233-D235 VanDerWaalsContact O-N 3.12Å; D235-R237 VanDerWaalsContact C-N 3.27Å; D235-R237 PolarHBondContact O-N 2.87Å
236I37.8Very low55.1Low130 Ų13093.2 Ų93.267%0.66748%0.477SS*.  trans-71.789.1174.1-56.4172.3000106.8G234 R238G234-I236 VanDerWaalsContact C-N 3.33Å; G234-I236 PolarHBondContact O-N 3.38Å; I236-R238 PolarHBondContact O-N 2.7Å; I236-R238 VanDerWaalsContact O-N 3.13Å
237R40Very low56.9Low207 Ų20792.1 Ų92.178%0.78149%0.487SS*.  trans-54.4119.5167.7-78.3-176.2173.9-172-4.2108.4D235 V239D235-R237 VanDerWaalsContact C-N 3.27Å; D235-R237 PolarHBondContact O-N 2.87Å; R237-V239 PolarHBondContact O-N 2.66Å
238R53.6Low59.3Low142 Ų14290.6 Ų90.654%0.53647%0.472SS..  trans-62.4102.8174.5-163.3176.3-172168.73.8107.8P209 I236P209-R238 PolarHBondContact O-NH2 3.37Å; I236-R238 PolarHBondContact O-N 2.7Å; I236-R238 VanDerWaalsContact O-N 3.13Å
239V64.4Low61.6Low82 Ų8288.3 Ų88.350%0.49747%0.465SS..  trans-67.5138.2177.4-179.40000108.5R237 E243 W244R237-V239 PolarHBondContact O-N 2.66Å; V239-E243 HydrophobicContact CG1-CB 3.49Å; V239-E243 VanDerWaalsContact CG1-CB 3.49Å; V239-W244 HydrophobicContact CG1-CB 4.12Å
240S75.1Confident64Low22 Ų2286.4 Ų86.415%0.15445%0.446CS..  trans-61.3153.8179.492.80000110.7K242 E243 W244S240-K242 PolarHBondContact O-N 2.81Å; S240-K242 PolarHBondContact OG-N 2.99Å; S240-E243 PolarHBondContact N-OE2 3.31Å; S240-E243 PolarHBondContact O-N 2.88Å; S240-E243 WeakPolarHBondContact OG-CB 3.49Å; S240-E243 WeakPolarHBondContact OG-CG 3.38Å; S240-E243 PolarHBondContact OG-N 2.82Å; S240-W244 WeakPolarHBondContact O-CB 2.95Å; S240-W244 PolarHBondContact O-N 2.73Å
241T80.4Confident66.6Low4 Ų485.2 Ų85.23%0.02543%0.434CS..Hα-helixtrans-58.3-38.5-179.9-560000111.1L197 V207 A245L197-T241 HydrophobicContact CD2-CG2 3.98Å; V207-T241 HydrophobicContact CG2-CG2 4.13Å; T241-A245 VanDerWaalsContact O-CB 3.32Å; T241-A245 WeakPolarHBondContact O-CB 3.41Å; T241-A245 PolarHBondContact O-N 2.9Å
242K83.1Confident69.5Low7 Ų777.5 Ų77.53%0.0340%0.399CS..Hα-helixtrans-68.4-46177.4-156174-172170.20112.3Q196 G199 E201 S240 W244 A245 R246 E338Q196-K242 WeakPolarHBondContact O-CB 3.23Å; Q196-K242 WeakPolarHBondContact O-CG 3.3Å; G199-K242 PolarHBondContact O-NZ 3.32Å; E201-K242 HydrophobicContact CG-CB 4.44Å; E201-K242 HydrophobicContact CG-CD 3.53Å; E201-K242 WeakPolarHBondContact OE1-CB 3.48Å; E201-K242 WeakPolarHBondContact OE1-CD 3.08Å; S240-K242 PolarHBondContact O-N 2.81Å; S240-K242 PolarHBondContact OG-N 2.99Å; K242-W244 VanDerWaalsContact C-N 3.32Å; K242-W244 PolarHBondContact O-N 3.03Å; K242-A245 PolarHBondContact O-N 2.97Å; K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 WeakPolarHBondContact O-CG 3.39Å; K242-R246 PolarHBondContact O-N 3.07Å; K242-E338 IonicContact NZ-OE1 3.6Å; K242-E338 PolarHBondContact NZ-OE1 3.05Å
243E84Confident72.3Confident108 Ų10871 Ų7151%0.50537%0.371SS..Hα-helixtrans-60.9-43.7177.9-75.7178.3160.200111.2V239 S240 R246 S247V239-E243 HydrophobicContact CG1-CB 3.49Å; V239-E243 VanDerWaalsContact CG1-CB 3.49Å; S240-E243 PolarHBondContact N-OE2 3.31Å; S240-E243 PolarHBondContact O-N 2.88Å; S240-E243 WeakPolarHBondContact OG-CB 3.49Å; S240-E243 WeakPolarHBondContact OG-CG 3.38Å; S240-E243 PolarHBondContact OG-N 2.82Å; E243-R246 PolarHBondContact O-N 2.79Å; E243-S247 WeakPolarHBondContact O-CB 3.24Å; E243-S247 PolarHBondContact O-N 3.35Å
244W86.4Confident75.1Confident70 Ų7071 Ų7127%0.26537%0.366SS..Hα-helixtrans-64.4-44175.9-177.187.6000111.6V239 S240 K242 R246 S247 T248 K254 L255 K258V239-W244 HydrophobicContact CG1-CB 4.12Å; S240-W244 WeakPolarHBondContact O-CB 2.95Å; S240-W244 PolarHBondContact O-N 2.73Å; K242-W244 VanDerWaalsContact C-N 3.32Å; K242-W244 PolarHBondContact O-N 3.03Å; W244-R246 PolarHBondContact O-N 2.85Å; W244-S247 PolarHBondContact O-N 3.19Å; W244-S247 PolarHBondContact O-OG 2.92Å; W244-T248 HydrophobicContact CD2-CG2 4.42Å; W244-T248 HydrophobicContact CH2-CG2 4.32Å; W244-T248 HydrophobicContact CZ2-CG2 4.03Å; W244-T248 PolarHBondContact O-N 2.84Å; W244-T248 VanDerWaalsContact O-N 3.16Å; W244-T248 PolarHBondContact O-OG1 3.48Å; W244-K254 HydrophobicContact CH2-CB 4.16Å; W244-K254 WeakPolarHBondContact CH2-O 3.49Å; W244-L255 HydrophobicContact CE3-CD2 4.26Å; W244-L255 HydrophobicContact CZ3-CD2 3.7Å; W244-L255 HydrophobicContact CZ3-CG 4.18Å; W244-K258 HydrophobicContact CD2-CG 4.43Å; W244-K258 HydrophobicContact CE3-CD 4.47Å; W244-K258 HydrophobicContact CE3-CG 4.25Å; W244-K258 HydrophobicContact CH2-CB 3.29Å; W244-K258 HydrophobicContact CH2-CG 3.74Å; W244-K258 HydrophobicContact CZ2-CB 3.76Å; W244-K258 HydrophobicContact CZ2-CG 3.9Å; W244-K258 HydrophobicContact CZ3-CB 3.77Å; W244-K258 HydrophobicContact CZ3-CD 4.31Å; W244-K258 HydrophobicContact CZ3-CG 3.92Å
245A87.3Confident78.1Confident0 Ų068 Ų680%034%0.335CS..Hα-helixtrans-60.2-42.5175.100000112.3L197 T241 K242 T248 G249 Y250 L255L197-A245 HydrophobicContact CD2-CB 3.53Å; T241-A245 VanDerWaalsContact O-CB 3.32Å; T241-A245 WeakPolarHBondContact O-CB 3.41Å; T241-A245 PolarHBondContact O-N 2.9Å; K242-A245 PolarHBondContact O-N 2.97Å; A245-T248 PolarHBondContact O-N 3.18Å; A245-T248 PolarHBondContact O-OG1 2.84Å; A245-G249 PolarHBondContact O-N 3.39Å; A245-Y250 HydrophobicContact CB-CD1 3.88Å; A245-Y250 HydrophobicContact CB-CE1 3.7Å; A245-Y250 PolarHBondContact O-N 2.9Å; A245-L255 HydrophobicContact CB-CD2 3.96Å
246R87.2Confident81.2Confident126 Ų12661.4 Ų61.448%0.47530%0.3SS..Hα-helixtrans-61.6-44.8174.5-74.9175.5177.7172.7-1.8112K242 E243 W244 T248 G249 Y250K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 WeakPolarHBondContact O-CG 3.39Å; K242-R246 PolarHBondContact O-N 3.07Å; E243-R246 PolarHBondContact O-N 2.79Å; W244-R246 PolarHBondContact O-N 2.85Å; R246-T248 PolarHBondContact O-N 3.41Å; R246-G249 PolarHBondContact O-N 3.42Å; R246-Y250 HydrophobicContact CG-CE2 3.89Å
247S89.1Confident83.8Confident94 Ų9456.9 Ų56.966%0.65728%0.277SS*.Hα-helixtrans-61-28.1179800000113.3E243 W244E243-S247 WeakPolarHBondContact O-CB 3.24Å; E243-S247 PolarHBondContact O-N 3.35Å; W244-S247 PolarHBondContact O-N 3.19Å; W244-S247 PolarHBondContact O-OG 2.92Å
248T90.4Very high86.2Confident26 Ų2648.2 Ų48.216%0.1625%0.245CC..THydrogen-bonded Turntrans-93.9-0.7178.158.50000113.2W244 A245 R246 Y250 D251 K254W244-T248 HydrophobicContact CD2-CG2 4.42Å; W244-T248 HydrophobicContact CH2-CG2 4.32Å; W244-T248 HydrophobicContact CZ2-CG2 4.03Å; W244-T248 PolarHBondContact O-N 2.84Å; W244-T248 VanDerWaalsContact O-N 3.16Å; W244-T248 PolarHBondContact O-OG1 3.48Å; A245-T248 PolarHBondContact O-N 3.18Å; A245-T248 PolarHBondContact O-OG1 2.84Å; R246-T248 PolarHBondContact O-N 3.41Å; T248-Y250 VanDerWaalsContact C-N 3.32Å; T248-D251 PolarHBondContact O-N 3.05Å; T248-K254 HydrophobicContact CG2-CD 3.94Å
249G89Confident88.1Confident37 Ų3741.5 Ų41.538%0.38122%0.22SC..THydrogen-bonded Turntrans69.827.1-177.600000113.7A245 R246 D251 R327A245-G249 PolarHBondContact O-N 3.39Å; R246-G249 PolarHBondContact O-N 3.42Å; G249-D251 PolarHBondContact O-N 3.46Å; G249-R327 WeakPolarHBondContact O-CD 3.48Å; G249-R327 PolarHBondContact O-NH1 3.48Å; G249-R327 VanDerWaalsContact O-NH1 3.08Å
250Y91.2Very high89.5Confident16 Ų1637.7 Ų37.76%0.06320%0.196CC..SBendtrans51.342.7-171.4-64.8-94.1000112.5L197 F198 A245 R246 T248 P252 L255 R327 L330L197-Y250 HydrophobicContact CB-CE1 4.4Å; L197-Y250 VanDerWaalsContact O-CE1 3.26Å; L197-Y250 WeakPolarHBondContact O-CE1 3.38Å; L197-Y250 PolarHBondContact O-OH 3.05Å; F198-Y250 HydrophobicContact CD1-CE1 4.31Å; F198-Y250 AromaticContact CE1-CD1 3.93Å; F198-Y250 HydrophobicContact CE1-CD1 3.93Å; F198-Y250 HydrophobicContact CE1-CE1 4.1Å; A245-Y250 HydrophobicContact CB-CD1 3.88Å; A245-Y250 HydrophobicContact CB-CE1 3.7Å; A245-Y250 PolarHBondContact O-N 2.9Å; R246-Y250 HydrophobicContact CG-CE2 3.89Å; T248-Y250 VanDerWaalsContact C-N 3.32Å; Y250-P252 WeakPolarHBondContact O-CD 3.35Å; Y250-L255 HydrophobicContact CD1-CD1 4.43Å; Y250-R327 HydrophobicContact CD2-CG 4.27Å; Y250-R327 HydrophobicContact CG-CG 4.32Å; Y250-L330 HydrophobicContact CE2-CD2 4.24Å
251D95.1Very high90.3Very high57 Ų5739.6 Ų39.631%0.30520%0.202SC..  trans-64.4120.1175.6-179.9-90.8000110.4T248 G249 V253 K254 L255T248-D251 PolarHBondContact O-N 3.05Å; G249-D251 PolarHBondContact O-N 3.46Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 3.35Å; D251-V253 PolarHBondContact OD1-N 3.04Å; D251-V253 VanDerWaalsContact OD1-N 3.16Å; D251-K254 HydrophobicContact CB-CB 4.1Å; D251-K254 HydrophobicContact CB-CD 3.98Å; D251-K254 HydrophobicContact CB-CG 4.15Å; D251-K254 PolarHBondContact O-N 3.33Å; D251-K254 WeakPolarHBondContact OD1-CG 3.34Å; D251-K254 PolarHBondContact OD1-N 3.05Å; D251-L255 WeakPolarHBondContact O-CB 3.49Å; D251-L255 WeakPolarHBondContact O-CG 3.49Å; D251-L255 PolarHBondContact O-N 2.7Å
252P93.9Very high90.8Very high8 Ų843.6 Ų43.65%0.05222%0.223CC..Hα-helixtrans-64.6-33.4-172.4-2130.3000114Y250 F256 R320 V323 E324Y250-P252 WeakPolarHBondContact O-CD 3.35Å; P252-F256 VanDerWaalsContact O-CB 3.29Å; P252-F256 WeakPolarHBondContact O-CB 3.33Å; P252-F256 PolarHBondContact O-N 3.2Å; P252-R320 HydrophobicContact CB-CB 4.11Å; P252-R320 HydrophobicContact CB-CG 3.94Å; P252-R320 HydrophobicContact CG-CG 4.09Å; P252-V323 HydrophobicContact CB-CB 4.28Å; P252-V323 HydrophobicContact CB-CG1 4.22Å; P252-V323 HydrophobicContact CG-CB 4.23Å; P252-V323 HydrophobicContact CG-CG1 3.96Å; P252-E324 HydrophobicContact CG-CG 3.76Å
253V94.2Very high91Very high42 Ų4244.3 Ų44.326%0.25523%0.227SC..Hα-helixtrans-75.5-39.6-177.5179.40000110.5D251 F256 N257 W285D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 3.35Å; D251-V253 PolarHBondContact OD1-N 3.04Å; D251-V253 VanDerWaalsContact OD1-N 3.16Å; V253-F256 PolarHBondContact O-N 3.19Å; V253-N257 PolarHBondContact O-N 3.41Å; V253-N257 PolarHBondContact O-ND2 3.23Å; V253-N257 VanDerWaalsContact O-ND2 3.09Å; V253-W285 HydrophobicContact CG1-CB 4.14Å; V253-W285 HydrophobicContact CG1-CD2 4.14Å; V253-W285 HydrophobicContact CG1-CG 3.78Å; V253-W285 HydrophobicContact CG2-CD2 4.12Å; V253-W285 HydrophobicContact CG2-CZ2 4.12Å
254K93.4Very high91.2Very high112 Ų11239.4 Ų39.449%0.48720%0.204SC..Hα-helixtrans-63-49.1172.1-70.6179.3-175.2175.80110.9W244 T248 D251 F256 N257 K258W244-K254 HydrophobicContact CH2-CB 4.16Å; W244-K254 WeakPolarHBondContact CH2-O 3.49Å; T248-K254 HydrophobicContact CG2-CD 3.94Å; D251-K254 HydrophobicContact CB-CB 4.1Å; D251-K254 HydrophobicContact CB-CD 3.98Å; D251-K254 HydrophobicContact CB-CG 4.15Å; D251-K254 PolarHBondContact O-N 3.33Å; D251-K254 WeakPolarHBondContact OD1-CG 3.34Å; D251-K254 PolarHBondContact OD1-N 3.05Å; K254-F256 VanDerWaalsContact C-N 3.28Å; K254-F256 PolarHBondContact O-N 3.15Å; K254-N257 PolarHBondContact O-N 3.18Å; K254-K258 PolarHBondContact O-N 3.37Å
255L93.3Very high91.3Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-54.8-46.5175.9-80163.7000111.3L197 W244 A245 Y250 D251 K258 L259 F319 V323L197-L255 HydrophobicContact CD1-CD2 4.3Å; L197-L255 HydrophobicContact CD2-CD2 3.83Å; W244-L255 HydrophobicContact CE3-CD2 4.26Å; W244-L255 HydrophobicContact CZ3-CD2 3.7Å; W244-L255 HydrophobicContact CZ3-CG 4.18Å; A245-L255 HydrophobicContact CB-CD2 3.96Å; Y250-L255 HydrophobicContact CD1-CD1 4.43Å; D251-L255 WeakPolarHBondContact O-CB 3.49Å; D251-L255 WeakPolarHBondContact O-CG 3.49Å; D251-L255 PolarHBondContact O-N 2.7Å; L255-K258 PolarHBondContact O-N 3.33Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 WeakPolarHBondContact O-CD1 3.32Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.24Å; L255-L259 PolarHBondContact O-N 3Å; L255-F319 HydrophobicContact CB-CE1 4.43Å; L255-F319 HydrophobicContact CB-CZ 4.42Å; L255-V323 HydrophobicContact CD1-CG1 3.84Å
256F95.6Very high91.1Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-57.3-53.1177.2179.9-82.6000111.8P252 V253 K254 K258 L259 F260 L283 W285 L288 C316 F319 L358P252-F256 VanDerWaalsContact O-CB 3.29Å; P252-F256 WeakPolarHBondContact O-CB 3.33Å; P252-F256 PolarHBondContact O-N 3.2Å; V253-F256 PolarHBondContact O-N 3.19Å; K254-F256 VanDerWaalsContact C-N 3.28Å; K254-F256 PolarHBondContact O-N 3.15Å; F256-K258 PolarHBondContact O-N 2.96Å; F256-L259 PolarHBondContact O-N 3.14Å; F256-F260 HydrophobicContact CB-CD2 4.32Å; F256-F260 HydrophobicContact CD1-CD2 4.46Å; F256-F260 AromaticContact CD2-CD2 3.43Å; F256-F260 HydrophobicContact CD2-CD2 3.43Å; F256-F260 VanDerWaalsContact CD2-CD2 3.43Å; F256-F260 AromaticContact CD2-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CG 4.4Å; F256-F260 HydrophobicContact CE1-CB 4.31Å; F256-F260 HydrophobicContact CE2-CB 4.46Å; F256-F260 AromaticContact CE2-CD2 3.75Å; F256-F260 HydrophobicContact CE2-CD2 3.75Å; F256-F260 HydrophobicContact CE2-CE2 4.39Å; F256-F260 HydrophobicContact CE2-CG 4.35Å; F256-F260 AromaticContact CG-CD2 3.83Å; F256-F260 HydrophobicContact CG-CD2 3.83Å; F256-F260 HydrophobicContact CZ-CB 4.27Å; F256-F260 HydrophobicContact CZ-CD2 4.37Å; F256-F260 WeakPolarHBondContact O-CB 3.41Å; F256-F260 WeakPolarHBondContact O-CD2 3.47Å; F256-F260 PolarHBondContact O-N 2.64Å; F256-L283 HydrophobicContact CE1-CB 4.15Å; F256-L283 HydrophobicContact CZ-CB 3.87Å; F256-L283 HydrophobicContact CZ-CD1 4.42Å; F256-W285 HydrophobicContact CB-CE3 3.9Å; F256-W285 HydrophobicContact CB-CZ3 4.31Å; F256-W285 HydrophobicContact CD1-CB 3.92Å; F256-W285 AromaticContact CD1-CE3 3.8Å; F256-W285 HydrophobicContact CD1-CE3 3.8Å; F256-W285 AromaticContact CD2-CE3 3.75Å; F256-W285 HydrophobicContact CD2-CE3 3.75Å; F256-W285 AromaticContact CD2-CZ3 3.94Å; F256-W285 HydrophobicContact CD2-CZ3 3.94Å; F256-W285 HydrophobicContact CE1-CB 4.13Å; F256-W285 HydrophobicContact CE1-CE3 4.27Å; F256-W285 HydrophobicContact CE2-CE3 4.2Å; F256-W285 HydrophobicContact CE2-CZ3 4.47Å; F256-W285 AromaticContact CG-CE3 3.53Å; F256-W285 HydrophobicContact CG-CE3 3.53Å; F256-W285 HydrophobicContact CG-CZ3 4.09Å; F256-W285 HydrophobicContact CZ-CE3 4.45Å; F256-L288 HydrophobicContact CZ-CD1 3.93Å; F256-C316 HydrophobicContact CE2-CB 4.49Å; F256-C316 VanDerWaalsContact CE2-SG 3.51Å; F256-F319 HydrophobicContact CB-CD1 4.39Å; F256-F319 HydrophobicContact CB-CE1 4.03Å; F256-F319 HydrophobicContact CD2-CD1 4.27Å; F256-L358 HydrophobicContact CD2-CD1 4.16Å; F256-L358 HydrophobicContact CE2-CD1 3.78Å; F256-L358 HydrophobicContact CE2-CD2 4.13Å
257N92.9Very high90.8Very high34 Ų3439.1 Ų39.118%0.18221%0.209CC..Hα-helixtrans-64.7-40.3-177.2-72.5-45.4000111.5V253 K254 L259 K261 D262 W285V253-N257 PolarHBondContact O-N 3.41Å; V253-N257 PolarHBondContact O-ND2 3.23Å; V253-N257 VanDerWaalsContact O-ND2 3.09Å; K254-N257 PolarHBondContact O-N 3.18Å; N257-L259 PolarHBondContact O-N 2.85Å; N257-K261 CarbonylContact O-C 3.53Å; N257-K261 VanDerWaalsContact O-CA 3.31Å; N257-K261 WeakPolarHBondContact O-CA 3.41Å; N257-K261 WeakPolarHBondContact O-CB 3.48Å; N257-K261 PolarHBondContact O-N 3.42Å; N257-D262 PolarHBondContact O-N 3.09Å; N257-W285 PolarHBondContact OD1-N 2.99Å
258K91.4Very high90.6Very high26 Ų2637.3 Ų37.311%0.11319%0.192CC..Iπ-helixtrans-58.7-50.1175.9-177.9-87.1-170.5-116.70111.6S208 W244 K254 L255 F256 D262 D263S208-K258 PolarHBondContact OG-NZ 3.44Å; W244-K258 HydrophobicContact CD2-CG 4.43Å; W244-K258 HydrophobicContact CE3-CD 4.47Å; W244-K258 HydrophobicContact CE3-CG 4.25Å; W244-K258 HydrophobicContact CH2-CB 3.29Å; W244-K258 HydrophobicContact CH2-CG 3.74Å; W244-K258 HydrophobicContact CZ2-CB 3.76Å; W244-K258 HydrophobicContact CZ2-CG 3.9Å; W244-K258 HydrophobicContact CZ3-CB 3.77Å; W244-K258 HydrophobicContact CZ3-CD 4.31Å; W244-K258 HydrophobicContact CZ3-CG 3.92Å; K254-K258 PolarHBondContact O-N 3.37Å; L255-K258 PolarHBondContact O-N 3.33Å; F256-K258 PolarHBondContact O-N 2.96Å; K258-D262 PolarHBondContact O-N 2.72Å; K258-D263 IonicContact NZ-OD1 2.72Å; K258-D263 PolarHBondContact NZ-OD1 3.44Å; K258-D263 IonicContact NZ-OD2 2.78Å; K258-D263 PolarHBondContact NZ-OD2 3.21Å; K258-D263 WeakPolarHBondContact O-CB 3.24Å; K258-D263 PolarHBondContact O-N 3.21Å
259L92Very high90.1Very high1 Ų138.7 Ų38.71%0.00520%0.2CC..Iπ-helixtrans-79.9-38.4-171.1-64.2167000113.8W189 L193 L255 F256 N257 F319W189-L259 HydrophobicContact CH2-CB 4.44Å; W189-L259 HydrophobicContact CZ2-CD2 4.39Å; L193-L259 HydrophobicContact CD1-CD1 3.8Å; L193-L259 HydrophobicContact CD1-CD2 3.82Å; L193-L259 HydrophobicContact CD1-CG 4.49Å; L193-L259 HydrophobicContact CD2-CD1 3.76Å; L193-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 WeakPolarHBondContact O-CD1 3.32Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.24Å; L255-L259 PolarHBondContact O-N 3Å; F256-L259 PolarHBondContact O-N 3.14Å; N257-L259 PolarHBondContact O-N 2.85Å; L259-F319 HydrophobicContact CD1-CZ 4.5Å
260F95.1Very high89.7Confident1 Ų137 Ų370%0.00418%0.183CC..Iπ-helixtrans-105.7-9.5-171.4-58.5-62.5000113.5W189 F256 I264 L283 F319 A355 L358 I362W189-F260 AromaticContact CH2-CE1 3.75Å; W189-F260 HydrophobicContact CH2-CE1 3.75Å; W189-F260 HydrophobicContact CH2-CZ 4.07Å; W189-F260 AromaticContact CZ3-CE1 3.87Å; W189-F260 HydrophobicContact CZ3-CE1 3.87Å; W189-F260 HydrophobicContact CZ3-CZ 4.16Å; F256-F260 HydrophobicContact CB-CD2 4.32Å; F256-F260 HydrophobicContact CD1-CD2 4.46Å; F256-F260 AromaticContact CD2-CD2 3.43Å; F256-F260 HydrophobicContact CD2-CD2 3.43Å; F256-F260 VanDerWaalsContact CD2-CD2 3.43Å; F256-F260 AromaticContact CD2-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CG 4.4Å; F256-F260 HydrophobicContact CE1-CB 4.31Å; F256-F260 HydrophobicContact CE2-CB 4.46Å; F256-F260 AromaticContact CE2-CD2 3.75Å; F256-F260 HydrophobicContact CE2-CD2 3.75Å; F256-F260 HydrophobicContact CE2-CE2 4.39Å; F256-F260 HydrophobicContact CE2-CG 4.35Å; F256-F260 AromaticContact CG-CD2 3.83Å; F256-F260 HydrophobicContact CG-CD2 3.83Å; F256-F260 HydrophobicContact CZ-CB 4.27Å; F256-F260 HydrophobicContact CZ-CD2 4.37Å; F256-F260 WeakPolarHBondContact O-CB 3.41Å; F256-F260 WeakPolarHBondContact O-CD2 3.47Å; F256-F260 PolarHBondContact O-N 2.64Å; F260-I264 WeakPolarHBondContact O-CG1 3.36Å; F260-L283 HydrophobicContact CB-CB 4.35Å; F260-L283 PolarHBondContact O-N 2.99Å; F260-F319 HydrophobicContact CE2-CD2 4.35Å; F260-F319 HydrophobicContact CE2-CE1 4.4Å; F260-F319 HydrophobicContact CE2-CE2 4.01Å; F260-F319 HydrophobicContact CE2-CZ 4.04Å; F260-F319 HydrophobicContact CZ-CE2 4.37Å; F260-A355 HydrophobicContact CZ-CB 4.28Å; F260-L358 HydrophobicContact CD1-CB 4.05Å; F260-L358 HydrophobicContact CD2-CD1 4.25Å; F260-L358 HydrophobicContact CE1-CB 3.7Å; F260-L358 HydrophobicContact CE1-CD1 4.5Å; F260-L358 HydrophobicContact CE2-CB 4.42Å; F260-L358 HydrophobicContact CE2-CD1 3.76Å; F260-L358 HydrophobicContact CZ-CB 3.92Å; F260-L358 HydrophobicContact CZ-CD1 3.9Å; F260-I362 HydrophobicContact CB-CD1 3.85Å; F260-I362 HydrophobicContact CD1-CD1 3.52Å; F260-I362 HydrophobicContact CG-CD1 4.12Å
261K92.2Very high89.1Confident62 Ų6240.4 Ų40.427%0.2720%0.202SC..Iπ-helixtrans-118.3-65.9174.9-161.6-175.3171.8-178.10111.7N257 I264 M265 P282 L283 D284N257-K261 CarbonylContact O-C 3.53Å; N257-K261 VanDerWaalsContact O-CA 3.31Å; N257-K261 WeakPolarHBondContact O-CA 3.41Å; N257-K261 WeakPolarHBondContact O-CB 3.48Å; N257-K261 PolarHBondContact O-N 3.42Å; K261-I264 PolarHBondContact O-N 2.86Å; K261-M265 WeakPolarHBondContact O-CB 3.41Å; K261-M265 VanDerWaalsContact O-CG 3.23Å; K261-M265 WeakPolarHBondContact O-CG 3.25Å; K261-M265 PolarHBondContact O-N 3.14Å; K261-P282 HydrophobicContact CG-CB 4.39Å; K261-L283 VanDerWaalsContact CB-O 3.24Å; K261-L283 WeakPolarHBondContact CB-O 3.34Å; K261-D284 HydrophobicContact CD-CB 4.27Å; K261-D284 WeakPolarHBondContact CE-OD2 3.03Å; K261-D284 IonicContact NZ-OD2 3.03Å; K261-D284 PolarHBondContact NZ-OD2 2.92Å
262D89.6Confident88.3Confident88 Ų8840.7 Ų40.747%0.47120%0.2SC..Iπ-helixtrans-69.2-45.1-167.2-58.6-24.6000111.3N257 K258 I264 M265 Y266N257-D262 PolarHBondContact O-N 3.09Å; K258-D262 PolarHBondContact O-N 2.72Å; D262-I264 VanDerWaalsContact C-N 3.29Å; D262-I264 PolarHBondContact O-N 3.11Å; D262-M265 PolarHBondContact O-N 3.49Å; D262-Y266 WeakPolarHBondContact O-CB 3.38Å; D262-Y266 PolarHBondContact O-N 2.81Å
263D86.9Confident87.4Confident23 Ų2340.5 Ų40.512%0.12320%0.199CC..Hα-helixtrans-62.4-36.3174.2-75.1-15000112P209 K258 Y266 L267P209-D263 HydrophobicContact CG-CB 4.11Å; P209-D263 WeakPolarHBondContact CG-O 3.29Å; K258-D263 IonicContact NZ-OD1 2.72Å; K258-D263 PolarHBondContact NZ-OD1 3.44Å; K258-D263 IonicContact NZ-OD2 2.78Å; K258-D263 PolarHBondContact NZ-OD2 3.21Å; K258-D263 WeakPolarHBondContact O-CB 3.24Å; K258-D263 PolarHBondContact O-N 3.21Å; D263-Y266 PolarHBondContact O-N 2.87Å; D263-L267 VanDerWaalsContact O-CB 3.23Å; D263-L267 WeakPolarHBondContact O-CB 3.44Å; D263-L267 PolarHBondContact O-N 3.39Å
264I89.1Confident86.9Confident4 Ų440 Ų402%0.02119%0.193CC..Hα-helixtrans-71.8-40.9177.6-58.1-55.7000110.9F260 K261 D262 Y266 L267 L268 P280 P282 I362 F363F260-I264 WeakPolarHBondContact O-CG1 3.36Å; K261-I264 PolarHBondContact O-N 2.86Å; D262-I264 VanDerWaalsContact C-N 3.29Å; D262-I264 PolarHBondContact O-N 3.11Å; I264-Y266 VanDerWaalsContact C-N 3.29Å; I264-Y266 PolarHBondContact O-N 2.79Å; I264-L267 HydrophobicContact CD1-CD2 4.45Å; I264-L267 WeakPolarHBondContact O-CB 3.36Å; I264-L267 PolarHBondContact O-N 3.01Å; I264-L268 WeakPolarHBondContact O-CG 3.42Å; I264-L268 PolarHBondContact O-N 3.38Å; I264-P280 HydrophobicContact CG2-CB 3.89Å; I264-P280 HydrophobicContact CG2-CG 4.04Å; I264-P282 HydrophobicContact CB-CB 4.07Å; I264-P282 HydrophobicContact CG2-CB 3.87Å; I264-P282 HydrophobicContact CG2-CG 4.48Å; I264-I362 HydrophobicContact CD1-CD1 4.42Å; I264-I362 HydrophobicContact CD1-CG2 3.79Å; I264-I362 HydrophobicContact CG1-CD1 4.13Å; I264-I362 HydrophobicContact CG1-CG2 3.99Å; I264-I362 HydrophobicContact CG2-CG2 4.01Å; I264-F363 HydrophobicContact CD1-CE2 4.32Å
265M88.6Confident86.4Confident95 Ų9542 Ų4247%0.46820%0.201SC..Hα-helixtrans-61.5-40.2172.9-71.9-68.3-169.500111.1K261 D262 L268 P282K261-M265 WeakPolarHBondContact O-CB 3.41Å; K261-M265 VanDerWaalsContact O-CG 3.23Å; K261-M265 WeakPolarHBondContact O-CG 3.25Å; K261-M265 PolarHBondContact O-N 3.14Å; D262-M265 PolarHBondContact O-N 3.49Å; M265-L268 PolarHBondContact O-N 2.73Å; M265-L268 HydrophobicContact SD-CD1 4.34Å; M265-P282 HydrophobicContact CE-CB 3.97Å; M265-P282 HydrophobicContact CE-CG 3.37Å; M265-P282 HydrophobicContact CG-CB 4.26Å; M265-P282 HydrophobicContact CG-CG 4.35Å; M265-P282 HydrophobicContact SD-CB 4.34Å; M265-P282 HydrophobicContact SD-CG 3.78Å
266Y82.4Confident85.7Confident93 Ų9352.1 Ų52.137%0.36525%0.245SC..Hα-helixtrans-63.6-45.5173.6-176.3-98.1000111.7P209 T211 D262 D263 I264 L268 T269 M270P209-Y266 HydrophobicContact CB-CD1 3.93Å; P209-Y266 HydrophobicContact CB-CE1 4.3Å; P209-Y266 HydrophobicContact CG-CD1 4.14Å; T211-Y266 HydrophobicContact CG2-CE1 3.72Å; T211-Y266 WeakPolarHBondContact CG2-OH 3.39Å; D262-Y266 WeakPolarHBondContact O-CB 3.38Å; D262-Y266 PolarHBondContact O-N 2.81Å; D263-Y266 PolarHBondContact O-N 2.87Å; I264-Y266 VanDerWaalsContact C-N 3.29Å; I264-Y266 PolarHBondContact O-N 2.79Å; Y266-L268 VanDerWaalsContact C-N 3.27Å; Y266-L268 PolarHBondContact O-N 2.7Å; Y266-T269 VanDerWaalsContact O-CB 3.26Å; Y266-T269 WeakPolarHBondContact O-CB 3.38Å; Y266-T269 WeakPolarHBondContact O-CG2 3.23Å; Y266-T269 PolarHBondContact O-N 3.1Å; Y266-T269 PolarHBondContact O-OG1 2.67Å; Y266-M270 HydrophobicContact CD1-CE 4.32Å; Y266-M270 HydrophobicContact CE1-CE 3.75Å
267L80.4Confident85.1Confident2 Ų256.7 Ų56.71%0.0126%0.262CS..Hα-helixtrans-62.1-32.9177.4179.963.9000112.5N178 P209 D263 I264 T269 M270 L273 W274 P280 F363N178-L267 HydrophobicContact CB-CD1 3.95Å; N178-L267 WeakPolarHBondContact O-CD2 3.36Å; P209-L267 HydrophobicContact CB-CD1 4.39Å; P209-L267 HydrophobicContact CG-CB 4.26Å; D263-L267 VanDerWaalsContact O-CB 3.23Å; D263-L267 WeakPolarHBondContact O-CB 3.44Å; D263-L267 PolarHBondContact O-N 3.39Å; I264-L267 HydrophobicContact CD1-CD2 4.45Å; I264-L267 WeakPolarHBondContact O-CB 3.36Å; I264-L267 PolarHBondContact O-N 3.01Å; L267-T269 PolarHBondContact O-N 3.1Å; L267-M270 HydrophobicContact CD1-SD 3.99Å; L267-M270 WeakPolarHBondContact O-CB 3.39Å; L267-M270 PolarHBondContact O-N 2.73Å; L267-M270 VanDerWaalsContact O-N 3.1Å; L267-L273 HydrophobicContact CD1-CD1 4.17Å; L267-W274 HydrophobicContact CD1-CZ2 3.9Å; L267-W274 HydrophobicContact CD2-CH2 4.22Å; L267-W274 HydrophobicContact CD2-CZ2 3.97Å; L267-W274 HydrophobicContact CG-CH2 4.33Å; L267-W274 HydrophobicContact CG-CZ2 3.6Å; L267-W274 PolarHBondContact O-NE1 3.41Å; L267-W274 VanDerWaalsContact O-NE1 3.13Å; L267-P280 HydrophobicContact CD2-CG 4.25Å; L267-F363 HydrophobicContact CD2-CE1 4.27Å; L267-F363 HydrophobicContact CD2-CZ 3.76Å
268L85.6Confident84.8Confident56 Ų5662.5 Ų62.529%0.29329%0.286SS..Hα-helixtrans-65.6-19.1172.4-74171.8000113.4I264 M265 Y266 M270 A279 P280 P282I264-L268 WeakPolarHBondContact O-CG 3.42Å; I264-L268 PolarHBondContact O-N 3.38Å; M265-L268 PolarHBondContact O-N 2.73Å; M265-L268 HydrophobicContact SD-CD1 4.34Å; Y266-L268 VanDerWaalsContact C-N 3.27Å; Y266-L268 PolarHBondContact O-N 2.7Å; L268-M270 PolarHBondContact O-N 2.63Å; L268-A279 HydrophobicContact CD2-CB 3.85Å; L268-P280 HydrophobicContact CD2-CG 3.93Å; L268-P280 HydrophobicContact CG-CG 4.3Å; L268-P282 HydrophobicContact CD1-CG 4.42Å
269T80.6Confident84.8Confident55 Ų5563.4 Ų63.434%0.33730%0.299SS..THydrogen-bonded Turntrans-70.3-15.2172.775.80000112.9Y266 L267 D271Y266-T269 VanDerWaalsContact O-CB 3.26Å; Y266-T269 WeakPolarHBondContact O-CB 3.38Å; Y266-T269 WeakPolarHBondContact O-CG2 3.23Å; Y266-T269 PolarHBondContact O-N 3.1Å; Y266-T269 PolarHBondContact O-OG1 2.67Å; L267-T269 PolarHBondContact O-N 3.1Å; T269-D271 VanDerWaalsContact C-N 3.32Å; T269-D271 PolarHBondContact O-N 2.98Å
270M81Confident84.8Confident2 Ų263.6 Ų63.61%0.0130%0.3CS..  trans-8867.1174.2-56.3176-175.900110.1P209 T211 A216 Y266 L267 L268 K272 L273 W274P209-M270 HydrophobicContact CB-CE 4.38Å; T211-M270 HydrophobicContact CG2-CE 3.88Å; A216-M270 HydrophobicContact CB-CB 4.14Å; A216-M270 HydrophobicContact CB-CG 4.14Å; A216-M270 HydrophobicContact CB-SD 3.71Å; Y266-M270 HydrophobicContact CD1-CE 4.32Å; Y266-M270 HydrophobicContact CE1-CE 3.75Å; L267-M270 HydrophobicContact CD1-SD 3.99Å; L267-M270 WeakPolarHBondContact O-CB 3.39Å; L267-M270 PolarHBondContact O-N 2.73Å; L267-M270 VanDerWaalsContact O-N 3.1Å; L268-M270 PolarHBondContact O-N 2.63Å; M270-K272 PolarHBondContact O-N 3.28Å; M270-K272 VanDerWaalsContact O-N 3.1Å; M270-L273 HydrophobicContact CB-CD1 3.89Å; M270-L273 HydrophobicContact CB-CG 4.25Å; M270-L273 PolarHBondContact O-N 3.19Å; M270-L273 HydrophobicContact SD-CD1 4.07Å; M270-W274 VanDerWaalsContact O-CD1 3.27Å; M270-W274 PolarHBondContact O-NE1 2.94Å
271D77.8Confident84.8Confident88 Ų8865.9 Ų65.947%0.47132%0.319SS..G310 helixtrans-55.8-30.6-17172.1-62.1000114.4T269 L273 W274T269-D271 VanDerWaalsContact C-N 3.32Å; T269-D271 PolarHBondContact O-N 2.98Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 3.1Å; D271-W274 PolarHBondContact O-N 2.89Å
272K77.3Confident84.9Confident62 Ų6264.9 Ų64.927%0.2732%0.319SS..G310 helixtrans-59.6-37.6180-68.9-175.6179.6-175.80113E215 A217 N219 M270 W274 K275E215-K272 WeakPolarHBondContact O-CB 3.39Å; A217-K272 WeakPolarHBondContact O-CD 3.35Å; A217-K272 WeakPolarHBondContact O-CE 3.5Å; A217-K272 PolarHBondContact O-NZ 3.11Å; N219-K272 PolarHBondContact OD1-NZ 3.25Å; M270-K272 PolarHBondContact O-N 3.28Å; M270-K272 VanDerWaalsContact O-N 3.1Å; K272-W274 PolarHBondContact O-N 2.89Å; K272-K275 PolarHBondContact O-N 3.03Å
273L75.1Confident85.1Confident5 Ų561.4 Ų61.43%0.02630%0.3CS..G310 helixtrans-62.8-29.2179.8-63.8179000112.2N178 T179 E215 A216 L267 M270 D271N178-L273 HydrophobicContact CB-CD1 4.12Å; T179-L273 HydrophobicContact CG2-CB 4.28Å; T179-L273 HydrophobicContact CG2-CD1 4.04Å; T179-L273 HydrophobicContact CG2-CD2 4.06Å; T179-L273 HydrophobicContact CG2-CG 4.37Å; E215-L273 HydrophobicContact CB-CD2 3.53Å; A216-L273 HydrophobicContact CB-CD1 4.05Å; A216-L273 HydrophobicContact CB-CD2 4.21Å; A216-L273 HydrophobicContact CB-CG 4.1Å; L267-L273 HydrophobicContact CD1-CD1 4.17Å; M270-L273 HydrophobicContact CB-CD1 3.89Å; M270-L273 HydrophobicContact CB-CG 4.25Å; M270-L273 PolarHBondContact O-N 3.19Å; M270-L273 HydrophobicContact SD-CD1 4.07Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 3.1Å
274W84.8Confident85.4Confident32 Ų3261.3 Ų61.312%0.12130%0.3CS..G310 helixtrans-98.64.9-171.2-45.1116.3000113.9T179 L267 M270 D271 K272 K276 R277 A279 P280 F363T179-W274 HydrophobicContact CG2-CH2 4.09Å; T179-W274 HydrophobicContact CG2-CZ3 4.48Å; L267-W274 HydrophobicContact CD1-CZ2 3.9Å; L267-W274 HydrophobicContact CD2-CH2 4.22Å; L267-W274 HydrophobicContact CD2-CZ2 3.97Å; L267-W274 HydrophobicContact CG-CH2 4.33Å; L267-W274 HydrophobicContact CG-CZ2 3.6Å; L267-W274 PolarHBondContact O-NE1 3.41Å; L267-W274 VanDerWaalsContact O-NE1 3.13Å; M270-W274 VanDerWaalsContact O-CD1 3.27Å; M270-W274 PolarHBondContact O-NE1 2.94Å; D271-W274 PolarHBondContact O-N 2.89Å; K272-W274 PolarHBondContact O-N 2.89Å; W274-K276 VanDerWaalsContact C-N 3.34Å; W274-K276 PolarHBondContact O-N 3.27Å; W274-R277 CarbonylContact C-O 3.57Å; W274-R277 HydrophobicContact CE3-CB 4.27Å; W274-A279 HydrophobicContact CB-CB 4.12Å; W274-A279 HydrophobicContact CD2-CB 4.41Å; W274-A279 HydrophobicContact CG-CB 4.15Å; W274-P280 HydrophobicContact CH2-CG 4.04Å; W274-P280 HydrophobicContact CZ2-CG 4.05Å; W274-P280 HydrophobicContact CZ3-CG 4.34Å; W274-F363 AromaticContact CH2-CE1 3.94Å; W274-F363 HydrophobicContact CH2-CE1 3.94Å; W274-F363 HydrophobicContact CZ3-CE1 4.32Å
275K83.1Confident85.5Confident152 Ų15261.5 Ų61.566%0.66130%0.3SS*.SBendtrans-66.7-34.8178.6-71.4-178.1179.1174.50113.2K272K272-K275 PolarHBondContact O-N 3.03Å
276K78.3Confident85.6Confident214 Ų21463.2 Ų63.293%0.9331%0.307SS*.SBendtrans-113.7-14.7-178.3-62.9-179.3-177.9175.10113W274W274-K276 VanDerWaalsContact C-N 3.34Å; W274-K276 PolarHBondContact O-N 3.27Å
277R82.8Confident86Confident95 Ų9565.3 Ų65.336%0.35832%0.32SS..SBendtrans-110.8151.6-175.6-52.2-177.6-163.3-147.612.3109.2T179 E215 W274 A279T179-R277 PolarHBondContact OG1-NH1 2.96Å; E215-R277 IonicContact OE1-NH2 3.85Å; E215-R277 IonicContact OE2-CZ 2.75Å; E215-R277 IonicContact OE2-NH2 3.71Å; E215-R277 PolarHBondContact OE2-NH2 2.79Å; W274-R277 CarbonylContact C-O 3.57Å; W274-R277 HydrophobicContact CE3-CB 4.27Å; R277-A279 PolarHBondContact O-N 3.44Å
278K87.1Confident86.4Confident156 Ų15666.6 Ų66.668%0.67833%0.327SS*.PPolyproline II helixtrans-67.3127.2171.8-170.7179.3178.1-165.80109S364K278-S364 WeakPolarHBondContact CD-OG 3.35Å; K278-S364 VanDerWaalsContact CE-OG 3.26Å; K278-S364 WeakPolarHBondContact CE-OG 3.45Å; K278-S364 PolarHBondContact NZ-OG 2.89Å
279A89.9Confident86.6Confident46 Ų4668.2 Ų68.238%0.3833%0.333SS..PPolyproline II helixtrans-64.5141.417900000111.3L268 W274 R277L268-A279 HydrophobicContact CD2-CB 3.85Å; W274-A279 HydrophobicContact CB-CB 4.12Å; W274-A279 HydrophobicContact CD2-CB 4.41Å; W274-A279 HydrophobicContact CG-CB 4.15Å; R277-A279 PolarHBondContact O-N 3.44Å
280P93.1Very high86.9Confident4 Ų472.1 Ų72.13%0.02635%0.352CS..PPolyproline II helixtrans-67.3143.3178.327.1-34.5000111.4I264 L267 L268 W274 I362 F363I264-P280 HydrophobicContact CG2-CB 3.89Å; I264-P280 HydrophobicContact CG2-CG 4.04Å; L267-P280 HydrophobicContact CD2-CG 4.25Å; L268-P280 HydrophobicContact CD2-CG 3.93Å; L268-P280 HydrophobicContact CG-CG 4.3Å; W274-P280 HydrophobicContact CH2-CG 4.04Å; W274-P280 HydrophobicContact CZ2-CG 4.05Å; W274-P280 HydrophobicContact CZ3-CG 4.34Å; P280-I362 CarbonylContact C-O 3.59Å; P280-I362 VanDerWaalsContact CA-O 3.31Å; P280-I362 WeakPolarHBondContact CA-O 3.37Å; P280-I362 HydrophobicContact CB-CG2 3.55Å; P280-F363 HydrophobicContact CB-CD1 4.05Å; P280-F363 HydrophobicContact CB-CE1 3.86Å; P280-F363 HydrophobicContact CB-CG 4.46Å; P280-F363 HydrophobicContact CB-CZ 4.13Å; P280-F363 HydrophobicContact CG-CE1 4.15Å; P280-F363 HydrophobicContact CG-CZ 4.49Å
281A94.4Very high86.9Confident50 Ų5075.6 Ų75.641%0.41338%0.376SS..  trans-99.9112.117800000110.1I362A281-I362 PolarHBondContact N-O 2.98Å; A281-I362 WeakPolarHBondContact O-CG1 3.3Å
282P94.7Very high86.8Confident41 Ų4173 Ų7327%0.26637%0.367SS..  trans-65.4144.4179.925.4-32.1000111.1K261 I264 M265 L268K261-P282 HydrophobicContact CG-CB 4.39Å; I264-P282 HydrophobicContact CB-CB 4.07Å; I264-P282 HydrophobicContact CG2-CB 3.87Å; I264-P282 HydrophobicContact CG2-CG 4.48Å; M265-P282 HydrophobicContact CE-CB 3.97Å; M265-P282 HydrophobicContact CE-CG 3.37Å; M265-P282 HydrophobicContact CG-CB 4.26Å; M265-P282 HydrophobicContact CG-CG 4.35Å; M265-P282 HydrophobicContact SD-CB 4.34Å; M265-P282 HydrophobicContact SD-CG 3.78Å; L268-P282 HydrophobicContact CD1-CG 4.42Å
283L93.8Very high86.1Confident15 Ų1578.1 Ų78.18%0.07939%0.391CS..  trans-104135.6179-62.6179.7000110.6F256 F260 K261 L288 V312 L358 I362F256-L283 HydrophobicContact CE1-CB 4.15Å; F256-L283 HydrophobicContact CZ-CB 3.87Å; F256-L283 HydrophobicContact CZ-CD1 4.42Å; F260-L283 HydrophobicContact CB-CB 4.35Å; F260-L283 PolarHBondContact O-N 2.99Å; K261-L283 VanDerWaalsContact CB-O 3.24Å; K261-L283 WeakPolarHBondContact CB-O 3.34Å; L283-L288 HydrophobicContact CB-CD1 4.08Å; L283-L288 HydrophobicContact CD2-CD1 4.38Å; L283-V312 HydrophobicContact CD1-CG1 4.35Å; L283-L358 HydrophobicContact CD1-CD2 4.11Å; L283-I362 HydrophobicContact CD1-CD1 4.06Å; L283-I362 HydrophobicContact CD1-CG1 3.79Å; L283-I362 HydrophobicContact CG-CD1 4.2Å; L283-I362 HydrophobicContact CG-CG1 3.71Å
284D93.3Very high85.2Confident20 Ų2083.5 Ų83.511%0.10743%0.426CS..  trans-113.7127.6175.6179.9-82.5000110.5K261 Q286 Q287 L288K261-D284 HydrophobicContact CD-CB 4.27Å; K261-D284 WeakPolarHBondContact CE-OD2 3.03Å; K261-D284 IonicContact NZ-OD2 3.03Å; K261-D284 PolarHBondContact NZ-OD2 2.92Å; D284-Q286 PolarHBondContact O-N 3.3Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.42Å; D284-Q286 PolarHBondContact OD1-N 3.12Å; D284-Q287 HydrophobicContact CB-CB 4.07Å; D284-Q287 HydrophobicContact CB-CG 3.99Å; D284-Q287 PolarHBondContact O-N 3.14Å; D284-Q287 WeakPolarHBondContact OD1-CG 3.43Å; D284-Q287 PolarHBondContact OD1-N 3.47Å; D284-L288 WeakPolarHBondContact O-CG 3.37Å; D284-L288 PolarHBondContact O-N 3Å
285W91.8Very high83.5Confident9 Ų989.4 Ų89.43%0.03446%0.455CS..Hα-helixtrans-58.8-47.2-176.4-176.8-81.1000112.6V253 F256 N257 L288 E289 W313 C316 R320V253-W285 HydrophobicContact CG1-CB 4.14Å; V253-W285 HydrophobicContact CG1-CD2 4.14Å; V253-W285 HydrophobicContact CG1-CG 3.78Å; V253-W285 HydrophobicContact CG2-CD2 4.12Å; V253-W285 HydrophobicContact CG2-CZ2 4.12Å; F256-W285 HydrophobicContact CB-CE3 3.9Å; F256-W285 HydrophobicContact CB-CZ3 4.31Å; F256-W285 HydrophobicContact CD1-CB 3.92Å; F256-W285 AromaticContact CD1-CE3 3.8Å; F256-W285 HydrophobicContact CD1-CE3 3.8Å; F256-W285 AromaticContact CD2-CE3 3.75Å; F256-W285 HydrophobicContact CD2-CE3 3.75Å; F256-W285 AromaticContact CD2-CZ3 3.94Å; F256-W285 HydrophobicContact CD2-CZ3 3.94Å; F256-W285 HydrophobicContact CE1-CB 4.13Å; F256-W285 HydrophobicContact CE1-CE3 4.27Å; F256-W285 HydrophobicContact CE2-CE3 4.2Å; F256-W285 HydrophobicContact CE2-CZ3 4.47Å; F256-W285 AromaticContact CG-CE3 3.53Å; F256-W285 HydrophobicContact CG-CE3 3.53Å; F256-W285 HydrophobicContact CG-CZ3 4.09Å; F256-W285 HydrophobicContact CZ-CE3 4.45Å; N257-W285 PolarHBondContact OD1-N 2.99Å; W285-L288 PolarHBondContact O-N 2.7Å; W285-E289 WeakPolarHBondContact O-CB 2.89Å; W285-E289 PolarHBondContact O-N 2.83Å; W285-W313 HydrophobicContact CZ2-CH2 4Å; W285-W313 HydrophobicContact CZ2-CZ3 4.35Å; W285-C316 HydrophobicContact CE3-CB 4.48Å; W285-C316 HydrophobicContact CH2-CB 4.18Å; W285-C316 WeakPolarHBondContact CH2-O 3.44Å; W285-C316 HydrophobicContact CZ3-CB 3.88Å; W285-R320 HydrophobicContact CH2-CB 3.9Å
286Q91Very high81.7Confident131 Ų13190.8 Ų90.861%0.61246%0.464SS*.Hα-helixtrans-69.2-38.5-174.5-65.4179.8-600111.2D284 E289 N290D284-Q286 PolarHBondContact O-N 3.3Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.42Å; D284-Q286 PolarHBondContact OD1-N 3.12Å; Q286-E289 PolarHBondContact O-N 3.27Å; Q286-N290 WeakPolarHBondContact O-CB 3.43Å; Q286-N290 PolarHBondContact O-N 2.92Å; Q286-N290 PolarHBondContact O-ND2 3.41Å
287Q90.2Very high80.1Confident137 Ų13789.7 Ų89.764%0.6446%0.462SS*.Hα-helixtrans-63-45.6175.3-68.4179.5-2.500111.4D284 N290 S291D284-Q287 HydrophobicContact CB-CB 4.07Å; D284-Q287 HydrophobicContact CB-CG 3.99Å; D284-Q287 PolarHBondContact O-N 3.14Å; D284-Q287 WeakPolarHBondContact OD1-CG 3.43Å; D284-Q287 PolarHBondContact OD1-N 3.47Å; Q287-N290 PolarHBondContact O-N 2.73Å; Q287-S291 WeakPolarHBondContact O-CB 3.29Å; Q287-S291 PolarHBondContact O-N 3.3Å; Q287-S291 PolarHBondContact O-OG 3.22Å
288L89.6Confident78.4Confident29 Ų2989.6 Ų89.615%0.15248%0.476CS..Hα-helixtrans-64.2-42.4178.3-70.8171.9000111.6F256 L283 D284 W285 N290 S291 A292 V312 W313F256-L288 HydrophobicContact CZ-CD1 3.93Å; L283-L288 HydrophobicContact CB-CD1 4.08Å; L283-L288 HydrophobicContact CD2-CD1 4.38Å; D284-L288 WeakPolarHBondContact O-CG 3.37Å; D284-L288 PolarHBondContact O-N 3Å; W285-L288 PolarHBondContact O-N 2.7Å; L288-N290 PolarHBondContact O-N 3.11Å; L288-S291 WeakPolarHBondContact CA-OG 3.3Å; L288-S291 PolarHBondContact O-N 2.8Å; L288-S291 PolarHBondContact O-OG 2.95Å; L288-A292 PolarHBondContact O-N 3.11Å; L288-A292 VanDerWaalsContact O-N 3.1Å; L288-V312 HydrophobicContact CD1-CG1 4.02Å; L288-V312 HydrophobicContact CD2-CG1 4.01Å; L288-W313 HydrophobicContact CB-CE3 3.85Å; L288-W313 HydrophobicContact CB-CZ3 4.09Å
289E88.8Confident76.5Confident90 Ų9087.3 Ų87.342%0.42148%0.477SS..Hα-helixtrans-60.6-44.1176.2-171.7161.9-13300112.1W285 Q286 S291 A292 W313W285-E289 WeakPolarHBondContact O-CB 2.89Å; W285-E289 PolarHBondContact O-N 2.83Å; Q286-E289 PolarHBondContact O-N 3.27Å; E289-S291 VanDerWaalsContact C-N 3.34Å; E289-A292 WeakPolarHBondContact O-CB 3.22Å; E289-A292 PolarHBondContact O-N 2.9Å; E289-W313 VanDerWaalsContact CA-CH2 3.42Å; E289-W313 VanDerWaalsContact CA-CZ3 3.48Å; E289-W313 HydrophobicContact CB-CH2 3.31Å; E289-W313 HydrophobicContact CB-CZ2 3.95Å; E289-W313 HydrophobicContact CB-CZ3 3.71Å; E289-W313 HydrophobicContact CG-CH2 3.52Å; E289-W313 HydrophobicContact CG-CZ2 3.76Å; E289-W313 HydrophobicContact CG-CZ3 4.4Å
290N87.1Confident74.7Confident137 Ų13792.4 Ų92.473%0.73350%0.504SS*.Hα-helixtrans-71.6-29.3179.2-70.4-33.4000113Q286 Q287 L288 A292Q286-N290 WeakPolarHBondContact O-CB 3.43Å; Q286-N290 PolarHBondContact O-N 2.92Å; Q286-N290 PolarHBondContact O-ND2 3.41Å; Q287-N290 PolarHBondContact O-N 2.73Å; L288-N290 PolarHBondContact O-N 3.11Å; N290-A292 VanDerWaalsContact C-N 3.29Å
291S81.8Confident72.9Confident74 Ų7495.8 Ų95.852%0.51752%0.524SS..Hα-helixtrans-81.7-8.1175.969.30000113.6Q287 L288 E289 H293Q287-S291 WeakPolarHBondContact O-CB 3.29Å; Q287-S291 PolarHBondContact O-N 3.3Å; Q287-S291 PolarHBondContact O-OG 3.22Å; L288-S291 WeakPolarHBondContact CA-OG 3.3Å; L288-S291 PolarHBondContact O-N 2.8Å; L288-S291 PolarHBondContact O-OG 2.95Å; E289-S291 VanDerWaalsContact C-N 3.34Å; S291-H293 PolarHBondContact O-N 3.32Å
292A75.3Confident71.8Confident33 Ų3399.4 Ų99.427%0.27355%0.546SS..  trans-70.6112.5179.800000110.1L288 E289 N290 W313L288-A292 PolarHBondContact O-N 3.11Å; L288-A292 VanDerWaalsContact O-N 3.1Å; E289-A292 WeakPolarHBondContact O-CB 3.22Å; E289-A292 PolarHBondContact O-N 2.9Å; N290-A292 VanDerWaalsContact C-N 3.29Å; A292-W313 HydrophobicContact CB-CD2 4.07Å; A292-W313 HydrophobicContact CB-CG 3.82Å
293H62.5Low71Confident171 Ų171100 Ų10079%0.79256%0.561SS**  trans-68.4143.9169.1-68.6-65.6000110.2S291 Q295S291-H293 PolarHBondContact O-N 3.32Å; H293-Q295 PolarHBondContact O-N 3.33Å
294P56.5Low70.6Confident117 Ų117104.5 Ų104.576%0.7658%0.584SS**  trans-57127.8166.4-3.713.4000107.6E296P294-E296 PolarHBondContact O-N 3.47Å
295Q49.3Very low70.3Confident156 Ų156111.9 Ų111.973%0.72962%0.615SS**  trans-40.2102.5-174-74.5176.9-53.100112.1H293H293-Q295 PolarHBondContact O-N 3.33Å
296E44.3Very low70.1Confident182 Ų182114.3 Ų114.385%0.8563%0.629SS**  trans-66.2129.8148.2-77.6-172.7165.200105.4P294 S298P294-E296 PolarHBondContact O-N 3.47Å; E296-S298 PolarHBondContact O-N 3.2Å
297E44.2Very low70.1Confident190 Ų190112.4 Ų112.489%0.88862%0.62SS**  trans-47.9111.5176.9-70.9-179.1160.300108.4
298S47.8Very low70Confident93 Ų93109.2 Ų109.265%0.6561%0.605SS**  trans-49130.8173-46.60000107E296 V300E296-S298 PolarHBondContact O-N 3.2Å; S298-V300 PolarHBondContact O-N 3.35Å
299P48Very low70.1Confident108 Ų108111.5 Ų111.570%0.70162%0.62SS**  trans-51.7135.3178.720.5-30.7000107.9T301P299-T301 PolarHBondContact O-N 3.22Å
300V51.3Low70.3Confident154 Ų154110.4 Ų110.493%0.93362%0.617SS**  trans-59.388.6-179.4-178.30000108.4S298 S302S298-V300 PolarHBondContact O-N 3.35Å; V300-S302 PolarHBondContact O-N 3.09Å
301T56Low70.5Confident74 Ų74108.3 Ų108.345%0.45461%0.606SS.*  trans-75.1123.5178.743.40000108P299 G303 Q308P299-T301 PolarHBondContact O-N 3.22Å; T301-G303 PolarHBondContact O-N 3.11Å; T301-Q308 PolarHBondContact OG1-NE2 3.25Å
302S71.3Confident71Confident126 Ų126106.1 Ų106.188%0.88159%0.589SS**SBendtrans-58.6126.3175.354.50000110.8V300V300-S302 PolarHBondContact O-N 3.09Å
303G76.8Confident71.9Confident55 Ų55106.2 Ų106.257%0.56758%0.582SS**SBendtrans144-179.9178.500000113.3T301T301-G303 PolarHBondContact O-N 3.11Å
304L85.5Confident73.4Confident109 Ų10998.3 Ų98.357%0.57155%0.547SS*.  trans-72150.4171.3-63173.8000110.2D306 Q307L304-D306 PolarHBondContact O-N 3.13Å; L304-Q307 HydrophobicContact CB-CB 4.48Å; L304-Q307 HydrophobicContact CB-CG 4.07Å; L304-Q307 WeakPolarHBondContact O-CB 3.42Å; L304-Q307 PolarHBondContact O-N 3.18Å
305K87.8Confident75.3Confident175 Ų17592.9 Ų92.976%0.76151%0.511SS*.G310 helixtrans-52.1-42.6176.2-173.9-175.4176-170.70112Q307 Q308K305-Q307 PolarHBondContact O-N 2.94Å; K305-Q308 WeakPolarHBondContact O-CB 3.45Å; K305-Q308 PolarHBondContact O-N 3.01Å
306D88.1Confident77.4Confident60 Ų6085.4 Ų85.432%0.32148%0.477SS..G310 helixtrans-72.9-12.9-178.4-74.912.5000114L304 Q308 S369 R370 F371L304-D306 PolarHBondContact O-N 3.13Å; D306-Q308 VanDerWaalsContact C-N 3.32Å; D306-S369 WeakPolarHBondContact O-CB 3.49Å; D306-R370 HydrophobicContact CB-CB 4.27Å; D306-R370 PolarHBondContact O-N 2.96Å; D306-R370 VanDerWaalsContact O-N 3.15Å; D306-R370 IonicContact OD2-CZ 3.81Å; D306-R370 IonicContact OD2-NH1 3.59Å; D306-R370 PolarHBondContact OD2-NH1 3.11Å; D306-F371 HydrophobicContact CB-CB 4.33Å; D306-F371 WeakPolarHBondContact O-CB 3.05Å; D306-F371 PolarHBondContact O-N 3.24Å
307Q89.5Confident79.9Confident90 Ų9082 Ų8242%0.42146%0.456SS..G310 helixtrans-86.3-7.9174.1-69.5174.9-35.300112.3L304 K305 S369 F371L304-Q307 HydrophobicContact CB-CB 4.48Å; L304-Q307 HydrophobicContact CB-CG 4.07Å; L304-Q307 WeakPolarHBondContact O-CB 3.42Å; L304-Q307 PolarHBondContact O-N 3.18Å; K305-Q307 PolarHBondContact O-N 2.94Å; Q307-S369 WeakPolarHBondContact O-CB 3.4Å; Q307-F371 HydrophobicContact CG-CB 4.03Å; Q307-F371 HydrophobicContact CG-CD1 4.44Å; Q307-F371 HydrophobicContact CG-CD2 4.48Å; Q307-F371 HydrophobicContact CG-CG 4.07Å
308Q88.5Confident82.3Confident70 Ų7074.5 Ų74.533%0.32742%0.422SS..SBendtrans-78.4131.2176.2-59.6179.8-4.900109.4T301 K305 D306T301-Q308 PolarHBondContact OG1-NE2 3.25Å; K305-Q308 WeakPolarHBondContact O-CB 3.45Å; K305-Q308 PolarHBondContact O-N 3.01Å; D306-Q308 VanDerWaalsContact C-N 3.32Å
309V92Very high84.6Confident77 Ų7770.1 Ų70.147%0.46739%0.391SS..PPolyproline II helixtrans-84.6123.3170.8-175.50000107.4Y315 M367V309-Y315 HydrophobicContact CG1-CE2 4.41Å; V309-M367 HydrophobicContact CG1-CB 3.81Å
310L92Very high86.9Confident68 Ų6870 Ų7036%0.35638%0.377SS..PPolyproline II helixtrans-78.5161.9178.1-55.1178.9000110.3Y315 M367L310-Y315 HydrophobicContact CB-CD1 4.27Å; L310-Y315 HydrophobicContact CB-CD2 4.05Å; L310-Y315 HydrophobicContact CB-CE1 3.99Å; L310-Y315 HydrophobicContact CB-CE2 3.76Å; L310-Y315 HydrophobicContact CB-CG 4.3Å; L310-Y315 HydrophobicContact CD1-CD1 4.16Å; L310-Y315 HydrophobicContact CD1-CE1 4.04Å; L310-Y315 HydrophobicContact CG-CE1 4.14Å; L310-Y315 PolarHBondContact N-OH 2.82Å; L310-Y315 WeakPolarHBondContact O-CE2 3.28Å; L310-M367 WeakPolarHBondContact O-CE 3.36Å
311D92.3Very high89.1Confident93 Ų9367.9 Ų67.950%0.49736%0.356SS..PPolyproline II helixtrans-73.4168.2166.665.8-24.5000111W313 G314 Y315D311-W313 PolarHBondContact O-N 2.91Å; D311-G314 WeakPolarHBondContact O-CA 3.45Å; D311-G314 PolarHBondContact O-N 3.11Å; D311-G314 VanDerWaalsContact O-N 3.07Å; D311-G314 VanDerWaalsContact OD1-CA 3.23Å; D311-G314 WeakPolarHBondContact OD1-CA 3.43Å; D311-G314 PolarHBondContact OD1-N 2.9Å; D311-Y315 WeakPolarHBondContact O-CD2 3.37Å; D311-Y315 PolarHBondContact O-N 3.45Å
312V93.1Very high91Very high27 Ų2764.4 Ų64.416%0.16434%0.335CS..Hα-helixtrans-56-43-178.9-179.90000110.8L283 L288 Y315 C316 L358 M367L283-V312 HydrophobicContact CD1-CG1 4.35Å; L288-V312 HydrophobicContact CD1-CG1 4.02Å; L288-V312 HydrophobicContact CD2-CG1 4.01Å; V312-Y315 PolarHBondContact O-N 3.12Å; V312-C316 PolarHBondContact O-N 3.1Å; V312-C316 PolarHBondContact O-SG 3.2Å; V312-L358 HydrophobicContact CG1-CD2 4.11Å; V312-M367 HydrophobicContact CG2-CE 4.13Å; V312-M367 HydrophobicContact CG2-SD 4.25Å
313W94Very high92.2Very high35 Ų3558.4 Ų58.413%0.13329%0.293CS..Hα-helixtrans-68.3-35.4178.3-174-118000113.2W285 L288 E289 A292 D311 Y315 C316 R317W285-W313 HydrophobicContact CZ2-CH2 4Å; W285-W313 HydrophobicContact CZ2-CZ3 4.35Å; L288-W313 HydrophobicContact CB-CE3 3.85Å; L288-W313 HydrophobicContact CB-CZ3 4.09Å; E289-W313 VanDerWaalsContact CA-CH2 3.42Å; E289-W313 VanDerWaalsContact CA-CZ3 3.48Å; E289-W313 HydrophobicContact CB-CH2 3.31Å; E289-W313 HydrophobicContact CB-CZ2 3.95Å; E289-W313 HydrophobicContact CB-CZ3 3.71Å; E289-W313 HydrophobicContact CG-CH2 3.52Å; E289-W313 HydrophobicContact CG-CZ2 3.76Å; E289-W313 HydrophobicContact CG-CZ3 4.4Å; A292-W313 HydrophobicContact CB-CD2 4.07Å; A292-W313 HydrophobicContact CB-CG 3.82Å; D311-W313 PolarHBondContact O-N 2.91Å; W313-Y315 VanDerWaalsContact C-N 3.33Å; W313-Y315 PolarHBondContact O-N 2.98Å; W313-C316 HydrophobicContact CE3-CB 3.82Å; W313-C316 HydrophobicContact CZ3-CB 4.09Å; W313-C316 PolarHBondContact O-N 3.25Å; W313-R317 HydrophobicContact CZ2-CG 4.44Å; W313-R317 WeakPolarHBondContact O-CG 3.32Å; W313-R317 PolarHBondContact O-N 3.19Å
314G93Very high93.1Very high6 Ų659.1 Ų59.16%0.06228%0.282CS..Hα-helixtrans-55.5-46.2169.300000112.2D311 R317 L318D311-G314 WeakPolarHBondContact O-CA 3.45Å; D311-G314 PolarHBondContact O-N 3.11Å; D311-G314 VanDerWaalsContact O-N 3.07Å; D311-G314 VanDerWaalsContact OD1-CA 3.23Å; D311-G314 WeakPolarHBondContact OD1-CA 3.43Å; D311-G314 PolarHBondContact OD1-N 2.9Å; G314-R317 PolarHBondContact O-N 2.84Å; G314-L318 PolarHBondContact O-N 2.81Å
315Y96.1Very high93.6Very high2 Ų256 Ų561%0.00827%0.267CS..Hα-helixtrans-69.6-34.2175-68-60.3000113.3V309 L310 D311 V312 W313 R317 L318 F319 T353 N357 M367 K368V309-Y315 HydrophobicContact CG1-CE2 4.41Å; L310-Y315 HydrophobicContact CB-CD1 4.27Å; L310-Y315 HydrophobicContact CB-CD2 4.05Å; L310-Y315 HydrophobicContact CB-CE1 3.99Å; L310-Y315 HydrophobicContact CB-CE2 3.76Å; L310-Y315 HydrophobicContact CB-CG 4.3Å; L310-Y315 HydrophobicContact CD1-CD1 4.16Å; L310-Y315 HydrophobicContact CD1-CE1 4.04Å; L310-Y315 HydrophobicContact CG-CE1 4.14Å; L310-Y315 PolarHBondContact N-OH 2.82Å; L310-Y315 WeakPolarHBondContact O-CE2 3.28Å; D311-Y315 WeakPolarHBondContact O-CD2 3.37Å; D311-Y315 PolarHBondContact O-N 3.45Å; V312-Y315 PolarHBondContact O-N 3.12Å; W313-Y315 VanDerWaalsContact C-N 3.33Å; W313-Y315 PolarHBondContact O-N 2.98Å; Y315-R317 VanDerWaalsContact C-N 3.34Å; Y315-R317 PolarHBondContact O-N 3.25Å; Y315-L318 HydrophobicContact CD1-CD2 4.33Å; Y315-L318 PolarHBondContact O-N 2.93Å; Y315-F319 WeakPolarHBondContact O-CB 3.36Å; Y315-F319 PolarHBondContact O-N 2.8Å; Y315-T353 HydrophobicContact CE1-CG2 3.98Å; Y315-N357 HydrophobicContact CD1-CB 4.05Å; Y315-N357 HydrophobicContact CD2-CB 3.76Å; Y315-N357 HydrophobicContact CE1-CB 4.06Å; Y315-N357 WeakPolarHBondContact CE1-ND2 3.29Å; Y315-N357 HydrophobicContact CE2-CB 3.75Å; Y315-N357 HydrophobicContact CG-CB 3.91Å; Y315-N357 PolarHBondContact OH-ND2 3.11Å; Y315-M367 HydrophobicContact CD2-CE 4.37Å; Y315-M367 HydrophobicContact CD2-SD 3.65Å; Y315-M367 HydrophobicContact CE2-CB 4.21Å; Y315-M367 HydrophobicContact CE2-CE 4.15Å; Y315-M367 HydrophobicContact CE2-CG 4.47Å; Y315-M367 HydrophobicContact CE2-SD 3.68Å; Y315-K368 PolarHBondContact OH-O 2.95Å
316C95Very high93.9Very high0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-59.6-43.9172-66.90000112.1F256 W285 V312 W313 F319 R320F256-C316 HydrophobicContact CE2-CB 4.49Å; F256-C316 VanDerWaalsContact CE2-SG 3.51Å; W285-C316 HydrophobicContact CE3-CB 4.48Å; W285-C316 HydrophobicContact CH2-CB 4.18Å; W285-C316 WeakPolarHBondContact CH2-O 3.44Å; W285-C316 HydrophobicContact CZ3-CB 3.88Å; V312-C316 PolarHBondContact O-N 3.1Å; V312-C316 PolarHBondContact O-SG 3.2Å; W313-C316 HydrophobicContact CE3-CB 3.82Å; W313-C316 HydrophobicContact CZ3-CB 4.09Å; W313-C316 PolarHBondContact O-N 3.25Å; C316-F319 PolarHBondContact O-N 3.23Å; C316-R320 PolarHBondContact O-N 3.45Å
317R94.9Very high94.2Very high110 Ų11048.9 Ų48.942%0.41523%0.231SC..Hα-helixtrans-65.1-41.4176.3-70.8-175.5-67.2175-1.3111.8W313 G314 Y315 R320 H321W313-R317 HydrophobicContact CZ2-CG 4.44Å; W313-R317 WeakPolarHBondContact O-CG 3.32Å; W313-R317 PolarHBondContact O-N 3.19Å; G314-R317 PolarHBondContact O-N 2.84Å; Y315-R317 VanDerWaalsContact C-N 3.34Å; Y315-R317 PolarHBondContact O-N 3.25Å; R317-R320 PolarHBondContact O-N 3.17Å; R317-H321 PolarHBondContact O-N 3.29Å
318L95.1Very high94.3Very high33 Ų3347.6 Ų47.617%0.17323%0.229CC..Hα-helixtrans-63.7-44.4176.6-170.364.1000111.6G314 Y315 R320 H321 S322 D350 T353 A354G314-L318 PolarHBondContact O-N 2.81Å; Y315-L318 HydrophobicContact CD1-CD2 4.33Å; Y315-L318 PolarHBondContact O-N 2.93Å; L318-R320 PolarHBondContact O-N 3.35Å; L318-H321 PolarHBondContact O-N 3.48Å; L318-S322 WeakPolarHBondContact O-CB 3.25Å; L318-S322 PolarHBondContact O-N 3.47Å; L318-S322 PolarHBondContact O-OG 2.87Å; L318-D350 HydrophobicContact CD1-CB 3.8Å; L318-D350 HydrophobicContact CD2-CB 4.37Å; L318-D350 HydrophobicContact CG-CB 4.05Å; L318-T353 HydrophobicContact CD2-CG2 4.49Å; L318-A354 HydrophobicContact CB-CB 4.09Å; L318-A354 HydrophobicContact CD2-CB 4.21Å; L318-A354 HydrophobicContact CG-CB 4.16Å
319F97Very high94.5Very high0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-55.8-51.6174.8-179.9-100.4000110.7L255 F256 L259 F260 Y315 C316 H321 S322 V323 F351 A354 A355 L358L255-F319 HydrophobicContact CB-CE1 4.43Å; L255-F319 HydrophobicContact CB-CZ 4.42Å; F256-F319 HydrophobicContact CB-CD1 4.39Å; F256-F319 HydrophobicContact CB-CE1 4.03Å; F256-F319 HydrophobicContact CD2-CD1 4.27Å; L259-F319 HydrophobicContact CD1-CZ 4.5Å; F260-F319 HydrophobicContact CE2-CD2 4.35Å; F260-F319 HydrophobicContact CE2-CE1 4.4Å; F260-F319 HydrophobicContact CE2-CE2 4.01Å; F260-F319 HydrophobicContact CE2-CZ 4.04Å; F260-F319 HydrophobicContact CZ-CE2 4.37Å; Y315-F319 WeakPolarHBondContact O-CB 3.36Å; Y315-F319 PolarHBondContact O-N 2.8Å; C316-F319 PolarHBondContact O-N 3.23Å; F319-H321 PolarHBondContact O-N 3.17Å; F319-S322 PolarHBondContact O-N 2.83Å; F319-S322 PolarHBondContact O-OG 3.4Å; F319-V323 HydrophobicContact CD1-CG2 4.4Å; F319-V323 HydrophobicContact CD2-CG2 4.48Å; F319-V323 HydrophobicContact CE1-CG2 4.08Å; F319-V323 HydrophobicContact CE2-CG2 4.17Å; F319-V323 HydrophobicContact CZ-CG2 3.96Å; F319-V323 WeakPolarHBondContact O-CG2 3.22Å; F319-V323 PolarHBondContact O-N 3.4Å; F319-F351 HydrophobicContact CD2-CD2 4.34Å; F319-F351 HydrophobicContact CD2-CE2 4.15Å; F319-F351 HydrophobicContact CE2-CD2 4.18Å; F319-F351 AromaticContact CE2-CE2 3.55Å; F319-F351 HydrophobicContact CE2-CE2 3.55Å; F319-F351 HydrophobicContact CE2-CZ 4.21Å; F319-F351 HydrophobicContact CZ-CE2 4.28Å; F319-A354 HydrophobicContact CB-CB 3.78Å; F319-A355 HydrophobicContact CD2-CB 4.34Å; F319-A355 HydrophobicContact CE2-CB 4.33Å; F319-L358 HydrophobicContact CB-CD1 4.12Å; F319-L358 HydrophobicContact CG-CD1 4.32Å
320R96.8Very high94.4Very high106 Ų10644.4 Ų44.440%0.421%0.21SC..Hα-helixtrans-56.3-50.7177.8172.5177.2178.1171.31.2112.6P252 W285 C316 R317 L318 S322 V323 E324P252-R320 HydrophobicContact CB-CB 4.11Å; P252-R320 HydrophobicContact CB-CG 3.94Å; P252-R320 HydrophobicContact CG-CG 4.09Å; W285-R320 HydrophobicContact CH2-CB 3.9Å; C316-R320 PolarHBondContact O-N 3.45Å; R317-R320 PolarHBondContact O-N 3.17Å; L318-R320 PolarHBondContact O-N 3.35Å; R320-S322 PolarHBondContact O-N 3.25Å; R320-V323 PolarHBondContact O-N 2.88Å; R320-E324 WeakPolarHBondContact CG-OE1 3.16Å; R320-E324 IonicContact CZ-OE1 3.64Å; R320-E324 IonicContact NE-OE1 2.87Å; R320-E324 PolarHBondContact NE-OE1 3.4Å; R320-E324 IonicContact NH2-OE1 3.49Å; R320-E324 PolarHBondContact NH2-OE1 3.01Å; R320-E324 WeakPolarHBondContact O-CG 3.45Å; R320-E324 PolarHBondContact O-N 2.71Å; R320-E324 VanDerWaalsContact O-N 3.08Å
321H96.4Very high94.2Very high109 Ų10947.1 Ų47.151%0.50522%0.221SC..Hα-helixtrans-61-45.9-178.4-174.756.5000111.7R317 L318 F319 V323 E324 T325R317-H321 PolarHBondContact O-N 3.29Å; L318-H321 PolarHBondContact O-N 3.48Å; F319-H321 PolarHBondContact O-N 3.17Å; H321-V323 PolarHBondContact O-N 3.36Å; H321-E324 PolarHBondContact O-N 3.19Å; H321-T325 PolarHBondContact O-N 2.87Å; H321-T325 PolarHBondContact O-OG1 3.11Å
322S96.9Very high94.2Very high1 Ų150 Ų501%0.00723%0.232CC..Hα-helixtrans-62.1-42179.566.40000112.7L318 F319 R320 T325 L326 F351L318-S322 WeakPolarHBondContact O-CB 3.25Å; L318-S322 PolarHBondContact O-N 3.47Å; L318-S322 PolarHBondContact O-OG 2.87Å; F319-S322 PolarHBondContact O-N 2.83Å; F319-S322 PolarHBondContact O-OG 3.4Å; R320-S322 PolarHBondContact O-N 3.25Å; S322-T325 PolarHBondContact O-N 3.11Å; S322-L326 WeakPolarHBondContact O-CB 3.49Å; S322-L326 VanDerWaalsContact O-CG 3.23Å; S322-L326 WeakPolarHBondContact O-CG 3.45Å; S322-L326 PolarHBondContact O-N 2.9Å; S322-F351 VanDerWaalsContact OG-CA 3.31Å; S322-F351 WeakPolarHBondContact OG-CA 3.2Å
323V96Very high93.9Very high0 Ų054.8 Ų54.80%025%0.25CC..Hα-helixtrans-64.1-43.6176.6172.50000111.5F198 P252 L255 F319 R320 H321 T325 R327 F351F198-V323 HydrophobicContact CZ-CG1 4.44Å; P252-V323 HydrophobicContact CB-CB 4.28Å; P252-V323 HydrophobicContact CB-CG1 4.22Å; P252-V323 HydrophobicContact CG-CB 4.23Å; P252-V323 HydrophobicContact CG-CG1 3.96Å; L255-V323 HydrophobicContact CD1-CG1 3.84Å; F319-V323 HydrophobicContact CD1-CG2 4.4Å; F319-V323 HydrophobicContact CD2-CG2 4.48Å; F319-V323 HydrophobicContact CE1-CG2 4.08Å; F319-V323 HydrophobicContact CE2-CG2 4.17Å; F319-V323 HydrophobicContact CZ-CG2 3.96Å; F319-V323 WeakPolarHBondContact O-CG2 3.22Å; F319-V323 PolarHBondContact O-N 3.4Å; R320-V323 PolarHBondContact O-N 2.88Å; H321-V323 PolarHBondContact O-N 3.36Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.26Å; V323-R327 VanDerWaalsContact O-CB 3.24Å; V323-R327 WeakPolarHBondContact O-CB 3.42Å; V323-R327 PolarHBondContact O-N 2.74Å; V323-F351 HydrophobicContact CG2-CD2 3.85Å; V323-F351 HydrophobicContact CG2-CE2 3.74Å
324E95.6Very high93.3Very high70 Ų7054.9 Ų54.933%0.32726%0.262SS..Hα-helixtrans-62-42177.8-71.9170.6176.800111.6P252 R320 H321 T328P252-E324 HydrophobicContact CG-CG 3.76Å; R320-E324 WeakPolarHBondContact CG-OE1 3.16Å; R320-E324 IonicContact CZ-OE1 3.64Å; R320-E324 IonicContact NE-OE1 2.87Å; R320-E324 PolarHBondContact NE-OE1 3.4Å; R320-E324 IonicContact NH2-OE1 3.49Å; R320-E324 PolarHBondContact NH2-OE1 3.01Å; R320-E324 WeakPolarHBondContact O-CG 3.45Å; R320-E324 PolarHBondContact O-N 2.71Å; R320-E324 VanDerWaalsContact O-N 3.08Å; H321-E324 PolarHBondContact O-N 3.19Å; E324-T328 PolarHBondContact O-N 3.43Å; E324-T328 PolarHBondContact O-OG1 3.37Å
325T95.7Very high92.5Very high43 Ų4364.7 Ų64.726%0.26431%0.306SS..Hα-helixtrans-68.4-49.5177.1-58.30000112.1H321 S322 V323 R327 T328 Q329 P347H321-T325 PolarHBondContact O-N 2.87Å; H321-T325 PolarHBondContact O-OG1 3.11Å; S322-T325 PolarHBondContact O-N 3.11Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.26Å; T325-R327 VanDerWaalsContact C-N 3.31Å; T325-R327 PolarHBondContact O-N 2.82Å; T325-T328 WeakPolarHBondContact O-CB 3.37Å; T325-T328 PolarHBondContact O-N 3.12Å; T325-Q329 PolarHBondContact O-N 2.8Å; T325-P347 HydrophobicContact CG2-CB 3.71Å; T325-P347 HydrophobicContact CG2-CG 3.87Å
326L94.8Very high91.5Very high0 Ų067.6 Ų67.60%034%0.336CS..Hα-helixtrans-62.1-38.3179.6-71169.5000111.7F194 F198 S322 T328 Q329 L330 L339 P347 A348 F351F194-L326 HydrophobicContact CD2-CD1 4.09Å; F194-L326 HydrophobicContact CE2-CD1 3.73Å; F194-L326 HydrophobicContact CE2-CD2 3.8Å; F194-L326 HydrophobicContact CE2-CG 4.42Å; F194-L326 HydrophobicContact CZ-CD2 4.35Å; F198-L326 HydrophobicContact CD1-CB 4Å; F198-L326 HydrophobicContact CD2-CB 4.41Å; F198-L326 HydrophobicContact CD2-CD1 3.93Å; F198-L326 HydrophobicContact CE1-CB 3.74Å; F198-L326 HydrophobicContact CE2-CB 4.17Å; F198-L326 HydrophobicContact CE2-CD1 3.63Å; F198-L326 HydrophobicContact CG-CB 4.33Å; F198-L326 HydrophobicContact CZ-CB 3.83Å; F198-L326 HydrophobicContact CZ-CD1 4.05Å; S322-L326 WeakPolarHBondContact O-CB 3.49Å; S322-L326 VanDerWaalsContact O-CG 3.23Å; S322-L326 WeakPolarHBondContact O-CG 3.45Å; S322-L326 PolarHBondContact O-N 2.9Å; L326-T328 VanDerWaalsContact C-N 3.28Å; L326-T328 PolarHBondContact O-N 3.48Å; L326-Q329 PolarHBondContact O-N 3.15Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 3.46Å; L326-L339 HydrophobicContact CB-CD1 4.45Å; L326-L339 HydrophobicContact CD2-CD1 3.95Å; L326-P347 HydrophobicContact CD2-CB 4.13Å; L326-P347 HydrophobicContact CD2-CG 4.41Å; L326-P347 HydrophobicContact CG-CB 4.18Å; L326-A348 HydrophobicContact CD2-CB 4.49Å; L326-F351 HydrophobicContact CD1-CB 3.71Å; L326-F351 HydrophobicContact CD1-CD2 4.18Å; L326-F351 HydrophobicContact CD1-CG 3.95Å
327R92.9Very high90.9Very high87 Ų8768.8 Ų68.833%0.32835%0.347SS..Hα-helixtrans-58.6-42.4172.7-173.3-171.587178.90.3111.7G249 Y250 V323 T325 L330 Q331G249-R327 WeakPolarHBondContact O-CD 3.48Å; G249-R327 PolarHBondContact O-NH1 3.48Å; G249-R327 VanDerWaalsContact O-NH1 3.08Å; Y250-R327 HydrophobicContact CD2-CG 4.27Å; Y250-R327 HydrophobicContact CG-CG 4.32Å; V323-R327 VanDerWaalsContact O-CB 3.24Å; V323-R327 WeakPolarHBondContact O-CB 3.42Å; V323-R327 PolarHBondContact O-N 2.74Å; T325-R327 VanDerWaalsContact C-N 3.31Å; T325-R327 PolarHBondContact O-N 2.82Å; R327-L330 PolarHBondContact O-N 3.08Å; R327-Q331 VanDerWaalsContact O-CG 3.29Å; R327-Q331 WeakPolarHBondContact O-CG 3.49Å; R327-Q331 PolarHBondContact O-N 3.06Å
328T93Very high90.6Very high63 Ų6367.1 Ų67.139%0.38734%0.343SS..Hα-helixtrans-66.3-45.6179.9-54.20000110.6E324 T325 L326 L330 Q331 E332E324-T328 PolarHBondContact O-N 3.43Å; E324-T328 PolarHBondContact O-OG1 3.37Å; T325-T328 WeakPolarHBondContact O-CB 3.37Å; T325-T328 PolarHBondContact O-N 3.12Å; L326-T328 VanDerWaalsContact C-N 3.28Å; L326-T328 PolarHBondContact O-N 3.48Å; T328-L330 VanDerWaalsContact C-N 3.32Å; T328-L330 PolarHBondContact O-N 2.81Å; T328-Q331 WeakPolarHBondContact O-CB 3.17Å; T328-Q331 PolarHBondContact O-N 2.93Å; T328-Q331 VanDerWaalsContact O-N 3.17Å; T328-E332 WeakPolarHBondContact O-CG 3.34Å; T328-E332 PolarHBondContact O-N 3.24Å
329Q92.1Very high90.4Very high56 Ų5666.1 Ų66.126%0.26234%0.338SS..Hα-helixtrans-60.4-40.2175.5-69.6178.1-18.100112.6T325 L326 Q331 E332 K333 L339T325-Q329 PolarHBondContact O-N 2.8Å; L326-Q329 PolarHBondContact O-N 3.15Å; Q329-Q331 VanDerWaalsContact C-N 3.35Å; Q329-E332 PolarHBondContact O-N 3.2Å; Q329-K333 PolarHBondContact O-N 3.36Å; Q329-L339 HydrophobicContact CB-CD1 4.36Å
330L89.5Confident90Very high23 Ų2372.2 Ų72.212%0.1238%0.375CS..Hα-helixtrans-62.5-42.8175.6-174.168.4000111.3F198 Y250 L326 R327 T328 E332 K333 A337 L339F198-L330 HydrophobicContact CD1-CD2 4.42Å; Y250-L330 HydrophobicContact CE2-CD2 4.24Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 3.46Å; R327-L330 PolarHBondContact O-N 3.08Å; T328-L330 VanDerWaalsContact C-N 3.32Å; T328-L330 PolarHBondContact O-N 2.81Å; L330-E332 VanDerWaalsContact C-N 3.34Å; L330-E332 PolarHBondContact O-N 3.5Å; L330-K333 PolarHBondContact O-N 3.35Å; L330-A337 WeakPolarHBondContact CD1-O 3.43Å; L330-L339 HydrophobicContact CB-CD1 4.44Å; L330-L339 HydrophobicContact CD1-CD2 4.49Å; L330-L339 HydrophobicContact CD1-CG 4.1Å
331Q88.9Confident89.8Confident125 Ų12569.2 Ų69.258%0.58436%0.364SS*.Hα-helixtrans-65.1-36.4176.7-73.1173.7-7.400112.6R327 T328 Q329 K333 G334R327-Q331 VanDerWaalsContact O-CG 3.29Å; R327-Q331 WeakPolarHBondContact O-CG 3.49Å; R327-Q331 PolarHBondContact O-N 3.06Å; T328-Q331 WeakPolarHBondContact O-CB 3.17Å; T328-Q331 PolarHBondContact O-N 2.93Å; T328-Q331 VanDerWaalsContact O-N 3.17Å; Q329-Q331 VanDerWaalsContact C-N 3.35Å; Q331-K333 VanDerWaalsContact C-N 3.33Å; Q331-K333 PolarHBondContact O-N 3.47Å; Q331-G334 PolarHBondContact O-N 2.9Å
332E90.9Very high89.3Confident155 Ų15567.4 Ų67.472%0.72436%0.358SS*.Hα-helixtrans-66.8-31.1177.7-73.8175174.700113T328 Q329 L330 G334T328-E332 WeakPolarHBondContact O-CG 3.34Å; T328-E332 PolarHBondContact O-N 3.24Å; Q329-E332 PolarHBondContact O-N 3.2Å; L330-E332 VanDerWaalsContact C-N 3.34Å; L330-E332 PolarHBondContact O-N 3.5Å; E332-G334 VanDerWaalsContact C-N 3.32Å
333K86.6Confident88.8Confident126 Ų12670.7 Ų70.755%0.54837%0.372SS..Hα-helixtrans-75.1-17.6176.6-73.4-161.8-179-174.60114.2Q329 L330 Q331 A337 E338 L339Q329-K333 PolarHBondContact O-N 3.36Å; L330-K333 PolarHBondContact O-N 3.35Å; Q331-K333 VanDerWaalsContact C-N 3.33Å; Q331-K333 PolarHBondContact O-N 3.47Å; K333-A337 HydrophobicContact CB-CB 3.44Å; K333-A337 VanDerWaalsContact CB-CB 3.44Å; K333-A337 HydrophobicContact CD-CB 4.35Å; K333-E338 PolarHBondContact NZ-O 3.27Å; K333-L339 HydrophobicContact CD-CD2 3.82Å; K333-L339 HydrophobicContact CG-CD2 4.5Å
334G83.1Confident88.4Confident38 Ų3872.8 Ų72.839%0.39238%0.383SS..  trans104.5174.8178.200000114.8Q331 E332 A337Q331-G334 PolarHBondContact O-N 2.9Å; E332-G334 VanDerWaalsContact C-N 3.32Å; G334-A337 WeakPolarHBondContact O-CB 3.31Å; G334-A337 PolarHBondContact O-N 3.49Å
335E74.6Confident88.1Confident212 Ų21271.5 Ų71.599%0.99138%0.379SS*.THydrogen-bonded Turntrans-71.6128.4-176.4-161.7172.8-16200110.9A337E335-A337 VanDerWaalsContact C-N 3.3Å
336G74.8Confident87.9Confident62 Ų6273 Ų7364%0.63939%0.389SS*.THydrogen-bonded Turntrans80.92.7-175.800000115
337A82.9Confident88Confident26 Ų2673.7 Ų73.722%0.21539%0.394CS..  trans-72.6157.3174.500000112.3L330 K333 G334 E335L330-A337 WeakPolarHBondContact CD1-O 3.43Å; K333-A337 HydrophobicContact CB-CB 3.44Å; K333-A337 VanDerWaalsContact CB-CB 3.44Å; K333-A337 HydrophobicContact CD-CB 4.35Å; G334-A337 WeakPolarHBondContact O-CB 3.31Å; G334-A337 PolarHBondContact O-N 3.49Å; E335-A337 VanDerWaalsContact C-N 3.3Å
338E89.3Confident88.1Confident74 Ų7469.6 Ų69.635%0.34638%0.378SS..  trans-128.7149.3179.2-61.1-175146.700110.7E200 K242 K333E200-E338 WeakPolarHBondContact CA-OE2 3.36Å; E200-E338 WeakPolarHBondContact CB-OE2 3.48Å; K242-E338 IonicContact NZ-OE1 3.6Å; K242-E338 PolarHBondContact NZ-OE1 3.05Å; K333-E338 PolarHBondContact NZ-O 3.27Å
339L90.8Very high88.2Confident12 Ų1266.6 Ų66.66%0.06336%0.36CS..PPolyproline II helixtrans-97.4137.4174-58.1-171.8000109.3F194 F198 G199 L326 Q329 L330 K333F194-L339 HydrophobicContact CE1-CB 4.35Å; F194-L339 HydrophobicContact CZ-CB 4.11Å; F198-L339 HydrophobicContact CB-CB 4.15Å; F198-L339 HydrophobicContact CB-CD1 4.05Å; F198-L339 HydrophobicContact CB-CG 4.26Å; F198-L339 PolarHBondContact O-N 2.93Å; G199-L339 WeakPolarHBondContact CA-O 3.38Å; L326-L339 HydrophobicContact CB-CD1 4.45Å; L326-L339 HydrophobicContact CD2-CD1 3.95Å; Q329-L339 HydrophobicContact CB-CD1 4.36Å; L330-L339 HydrophobicContact CB-CD1 4.44Å; L330-L339 HydrophobicContact CD1-CD2 4.49Å; L330-L339 HydrophobicContact CD1-CG 4.1Å; K333-L339 HydrophobicContact CD-CD2 3.82Å; K333-L339 HydrophobicContact CG-CD2 4.5Å
340V89.2Confident88.4Confident128 Ų12865.3 Ų65.378%0.77636%0.355SS*.PPolyproline II helixtrans-95.7130.9171.1179.80000107D342V340-D342 PolarHBondContact O-N 3.42Å
341W91.5Very high88.8Confident44 Ų4464.2 Ų64.217%0.16735%0.349CS..PPolyproline II helixtrans-65.7126.5177.2-178.681.2000110.6F194 K343 M349 V352 A377F194-W341 HydrophobicContact CD1-CB 3.66Å; F194-W341 AromaticContact CD1-CD1 3.9Å; F194-W341 HydrophobicContact CD1-CG 4.18Å; F194-W341 HydrophobicContact CE1-CB 3.61Å; F194-W341 HydrophobicContact CE1-CG 4.33Å; F194-W341 HydrophobicContact CG-CB 4.47Å; F194-W341 AromaticContact CG-CD1 3.86Å; F194-W341 HydrophobicContact CZ-CB 4.36Å; W341-K343 HydrophobicContact CH2-CB 3.68Å; W341-K343 HydrophobicContact CZ2-CB 4.19Å; W341-K343 HydrophobicContact CZ3-CB 4.18Å; W341-M349 HydrophobicContact CH2-SD 4.29Å; W341-M349 HydrophobicContact CZ2-SD 3.5Å; W341-M349 VanDerWaalsContact CZ2-SD 3.5Å; W341-V352 VanDerWaalsContact NE1-CG2 3.32Å; W341-A377 HydrophobicContact CH2-CB 3.99Å; W341-A377 VanDerWaalsContact CH2-O 3.23Å; W341-A377 WeakPolarHBondContact CH2-O 3.25Å; W341-A377 HydrophobicContact CZ2-CB 3.81Å
342D86.5Confident89.2Confident71 Ų7158.3 Ų58.338%0.3832%0.321SS..  trans-127.5129.9174.1-177.64.1000110V340 D344 D345V340-D342 PolarHBondContact O-N 3.42Å; D342-D344 PolarHBondContact O-N 2.98Å; D342-D344 PolarHBondContact OD1-N 3.23Å; D342-D345 HydrophobicContact CB-CB 4Å; D342-D345 PolarHBondContact O-N 3.39Å
343K87.1Confident89.5Confident69 Ų6950.9 Ų50.930%0.329%0.287SS..THydrogen-bonded Turntrans-66.5-19.4176.475.6-162.4177.8-500113W341 M349 K374W341-K343 HydrophobicContact CH2-CB 3.68Å; W341-K343 HydrophobicContact CZ2-CB 4.19Å; W341-K343 HydrophobicContact CZ3-CB 4.18Å; K343-M349 HydrophobicContact CB-SD 4.02Å; K343-M349 WeakPolarHBondContact O-CG 3.42Å; K343-K374 WeakPolarHBondContact O-CE 3.39Å; K343-K374 PolarHBondContact O-NZ 3.19Å
344D85.7Confident90.1Very high45 Ų4544.9 Ų44.924%0.24126%0.261CS..THydrogen-bonded Turntrans-97.9-9.3-179.7-62.8-49.9000112.4D342 P346 K374D342-D344 PolarHBondContact O-N 2.98Å; D342-D344 PolarHBondContact OD1-N 3.23Å; D344-P346 WeakPolarHBondContact O-CD 3.23Å; D344-K374 IonicContact OD1-NZ 3.82Å; D344-K374 PolarHBondContact OD1-NZ 3.42Å
345D90Very high90.8Very high42 Ų4243.1 Ų43.123%0.22524%0.242CC..SBendtrans-76.2116.3167.3178.758.1000111D342 P347 A348 M349D342-D345 HydrophobicContact CB-CB 4Å; D342-D345 PolarHBondContact O-N 3.39Å; D345-P347 WeakPolarHBondContact OD1-CD 3.35Å; D345-P347 WeakPolarHBondContact OD2-CD 3.48Å; D345-P347 VanDerWaalsContact OD2-CG 3.3Å; D345-P347 WeakPolarHBondContact OD2-CG 3.37Å; D345-A348 HydrophobicContact CB-CB 4.07Å; D345-A348 PolarHBondContact O-N 3.05Å; D345-A348 WeakPolarHBondContact OD2-CB 3.35Å; D345-A348 PolarHBondContact OD2-N 2.84Å; D345-M349 PolarHBondContact O-N 3.07Å; D345-M349 VanDerWaalsContact O-N 3.09Å
346P92.7Very high91.9Very high75 Ų7533 Ų3349%0.48720%0.195SC..Hα-helixtrans-57.8-50.3-177.2-23.533.7000114.9D344 M349 D350D344-P346 WeakPolarHBondContact O-CD 3.23Å; P346-M349 PolarHBondContact O-N 3.01Å; P346-D350 WeakPolarHBondContact O-CB 3.1Å; P346-D350 PolarHBondContact O-N 3.15Å
347P95Very high93Very high15 Ų1530 Ų3010%0.09717%0.165CC..Hα-helixtrans-65.9-37.1-179.222.7-30.2000113.5T325 L326 D345 D350 F351T325-P347 HydrophobicContact CG2-CB 3.71Å; T325-P347 HydrophobicContact CG2-CG 3.87Å; L326-P347 HydrophobicContact CD2-CB 4.13Å; L326-P347 HydrophobicContact CD2-CG 4.41Å; L326-P347 HydrophobicContact CG-CB 4.18Å; D345-P347 WeakPolarHBondContact OD1-CD 3.35Å; D345-P347 WeakPolarHBondContact OD2-CD 3.48Å; D345-P347 VanDerWaalsContact OD2-CG 3.3Å; D345-P347 WeakPolarHBondContact OD2-CG 3.37Å; P347-D350 PolarHBondContact O-N 3.17Å; P347-F351 WeakPolarHBondContact O-CB 3.3Å; P347-F351 PolarHBondContact O-N 2.9Å
348A95.1Very high93.7Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-62.7-43.4173.800000112.4F194 L326 D345 F351 V352F194-A348 HydrophobicContact CD2-CB 4.4Å; F194-A348 HydrophobicContact CE2-CB 3.62Å; F194-A348 HydrophobicContact CZ-CB 3.99Å; L326-A348 HydrophobicContact CD2-CB 4.49Å; D345-A348 HydrophobicContact CB-CB 4.07Å; D345-A348 PolarHBondContact O-N 3.05Å; D345-A348 WeakPolarHBondContact OD2-CB 3.35Å; D345-A348 PolarHBondContact OD2-N 2.84Å; A348-F351 PolarHBondContact O-N 2.99Å; A348-V352 PolarHBondContact O-N 3.24Å; A348-V352 VanDerWaalsContact O-N 3.11Å
349M95.8Very high94Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-68.4-37176.2-84.7-52-44.700113.6W341 K343 D345 P346 F351 V352 T353 K374 A377W341-M349 HydrophobicContact CH2-SD 4.29Å; W341-M349 HydrophobicContact CZ2-SD 3.5Å; W341-M349 VanDerWaalsContact CZ2-SD 3.5Å; K343-M349 HydrophobicContact CB-SD 4.02Å; K343-M349 WeakPolarHBondContact O-CG 3.42Å; D345-M349 PolarHBondContact O-N 3.07Å; D345-M349 VanDerWaalsContact O-N 3.09Å; P346-M349 PolarHBondContact O-N 3.01Å; M349-F351 VanDerWaalsContact C-N 3.32Å; M349-V352 PolarHBondContact O-N 3.38Å; M349-T353 VanDerWaalsContact O-CB 3.25Å; M349-T353 WeakPolarHBondContact O-CB 3.36Å; M349-T353 PolarHBondContact O-N 3.48Å; M349-T353 PolarHBondContact O-OG1 3.22Å; M349-K374 VanDerWaalsContact CE-CA 3.43Å; M349-K374 HydrophobicContact CE-CB 3.64Å; M349-K374 HydrophobicContact CE-CG 3.97Å; M349-K374 HydrophobicContact CG-CD 4.47Å; M349-K374 HydrophobicContact SD-CG 4.26Å; M349-A377 HydrophobicContact CE-CB 4.48Å
350D96.8Very high94.3Very high30 Ų3025.1 Ų25.116%0.1614%0.136CC..Hα-helixtrans-66-39.2177.5-73.3-3000110.8L318 P346 P347 T353 A354 R370L318-D350 HydrophobicContact CD1-CB 3.8Å; L318-D350 HydrophobicContact CD2-CB 4.37Å; L318-D350 HydrophobicContact CG-CB 4.05Å; P346-D350 WeakPolarHBondContact O-CB 3.1Å; P346-D350 PolarHBondContact O-N 3.15Å; P347-D350 PolarHBondContact O-N 3.17Å; D350-T353 PolarHBondContact O-N 3.49Å; D350-A354 VanDerWaalsContact O-CB 3.3Å; D350-A354 WeakPolarHBondContact O-CB 3.47Å; D350-A354 PolarHBondContact O-N 3.49Å; D350-R370 IonicContact OD1-CZ 2.66Å; D350-R370 IonicContact OD1-NE 3.32Å; D350-R370 PolarHBondContact OD1-NE 3.09Å; D350-R370 IonicContact OD1-NH2 3.58Å; D350-R370 PolarHBondContact OD1-NH2 3.27Å
351F97.9Very high94.6Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-59.5-54.1173178.6-94.4000111.8L193 F194 L197 F198 F319 S322 V323 L326 P347 A348 M349 T353 A354 A355L193-F351 HydrophobicContact CB-CE1 4.43Å; L193-F351 HydrophobicContact CD2-CE1 4.17Å; L193-F351 HydrophobicContact CD2-CZ 3.64Å; L193-F351 HydrophobicContact CG-CE1 4.19Å; L193-F351 HydrophobicContact CG-CZ 3.82Å; F194-F351 HydrophobicContact CB-CD1 3.93Å; F194-F351 HydrophobicContact CB-CE1 3.81Å; F194-F351 AromaticContact CD2-CD1 3.8Å; F194-F351 HydrophobicContact CD2-CD1 3.8Å; F194-F351 HydrophobicContact CD2-CE1 4.35Å; F194-F351 HydrophobicContact CD2-CG 4.39Å; F194-F351 HydrophobicContact CG-CD1 4.37Å; L197-F351 HydrophobicContact CD1-CE2 4.25Å; L197-F351 HydrophobicContact CD1-CZ 3.83Å; F198-F351 HydrophobicContact CE2-CD2 4.14Å; F198-F351 AromaticContact CE2-CE2 3.91Å; F198-F351 HydrophobicContact CE2-CE2 3.91Å; F198-F351 HydrophobicContact CE2-CZ 4.11Å; F319-F351 HydrophobicContact CD2-CD2 4.34Å; F319-F351 HydrophobicContact CD2-CE2 4.15Å; F319-F351 HydrophobicContact CE2-CD2 4.18Å; F319-F351 AromaticContact CE2-CE2 3.55Å; F319-F351 HydrophobicContact CE2-CE2 3.55Å; F319-F351 HydrophobicContact CE2-CZ 4.21Å; F319-F351 HydrophobicContact CZ-CE2 4.28Å; S322-F351 VanDerWaalsContact OG-CA 3.31Å; S322-F351 WeakPolarHBondContact OG-CA 3.2Å; V323-F351 HydrophobicContact CG2-CD2 3.85Å; V323-F351 HydrophobicContact CG2-CE2 3.74Å; L326-F351 HydrophobicContact CD1-CB 3.71Å; L326-F351 HydrophobicContact CD1-CD2 4.18Å; L326-F351 HydrophobicContact CD1-CG 3.95Å; P347-F351 WeakPolarHBondContact O-CB 3.3Å; P347-F351 PolarHBondContact O-N 2.9Å; A348-F351 PolarHBondContact O-N 2.99Å; M349-F351 VanDerWaalsContact C-N 3.32Å; F351-T353 VanDerWaalsContact C-N 3.31Å; F351-T353 PolarHBondContact O-N 3.24Å; F351-A354 PolarHBondContact O-N 3.27Å; F351-A355 VanDerWaalsContact O-CB 3.31Å; F351-A355 WeakPolarHBondContact O-CB 3.22Å; F351-A355 PolarHBondContact O-N 3.38Å
352V97.3Very high94.9Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-61.2-41.9179.7170.60000111I187 A190 K191 W341 A348 M349 A356 V373 A377I187-V352 HydrophobicContact CG2-CG1 4.37Å; A190-V352 HydrophobicContact CB-CB 4.49Å; A190-V352 HydrophobicContact CB-CG1 4.06Å; K191-V352 HydrophobicContact CG-CG1 4.27Å; K191-V352 HydrophobicContact CG-CG2 4.3Å; W341-V352 VanDerWaalsContact NE1-CG2 3.32Å; A348-V352 PolarHBondContact O-N 3.24Å; A348-V352 VanDerWaalsContact O-N 3.11Å; M349-V352 PolarHBondContact O-N 3.38Å; V352-A356 WeakPolarHBondContact O-CB 3.39Å; V352-A356 PolarHBondContact O-N 2.94Å; V352-V373 HydrophobicContact CG1-CG1 4.12Å; V352-A377 HydrophobicContact CG1-CB 4.14Å
353T97.6Very high95.2Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-61.1-46.7177.6-59.60000111.8Y315 L318 M349 D350 F351 N357 R370Y315-T353 HydrophobicContact CE1-CG2 3.98Å; L318-T353 HydrophobicContact CD2-CG2 4.49Å; M349-T353 VanDerWaalsContact O-CB 3.25Å; M349-T353 WeakPolarHBondContact O-CB 3.36Å; M349-T353 PolarHBondContact O-N 3.48Å; M349-T353 PolarHBondContact O-OG1 3.22Å; D350-T353 PolarHBondContact O-N 3.49Å; F351-T353 VanDerWaalsContact C-N 3.31Å; F351-T353 PolarHBondContact O-N 3.24Å; T353-N357 WeakPolarHBondContact O-CB 3.44Å; T353-N357 PolarHBondContact O-N 3.41Å; T353-N357 PolarHBondContact O-ND2 3.49Å; T353-R370 HydrophobicContact CG2-CB 3.94Å; T353-R370 HydrophobicContact CG2-CG 4.13Å
354A97.8Very high95.6Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-69.1-50.5-17900000111.6L318 F319 D350 F351 A356 N357 L358L318-A354 HydrophobicContact CB-CB 4.09Å; L318-A354 HydrophobicContact CD2-CB 4.21Å; L318-A354 HydrophobicContact CG-CB 4.16Å; F319-A354 HydrophobicContact CB-CB 3.78Å; D350-A354 VanDerWaalsContact O-CB 3.3Å; D350-A354 WeakPolarHBondContact O-CB 3.47Å; D350-A354 PolarHBondContact O-N 3.49Å; F351-A354 PolarHBondContact O-N 3.27Å; A354-A356 PolarHBondContact O-N 3.23Å; A354-N357 PolarHBondContact O-N 3.15Å; A354-L358 WeakPolarHBondContact O-CB 3.32Å; A354-L358 VanDerWaalsContact O-CG 3.25Å; A354-L358 WeakPolarHBondContact O-CG 3.4Å; A354-L358 PolarHBondContact O-N 3.42Å
355A97.8Very high96Very high0 Ų015.6 Ų15.60%09%0.09CC..Hα-helixtrans-62.4-41.9-177.800000112.3W189 A190 L193 F260 F319 F351 R359W189-A355 HydrophobicContact CZ3-CB 4.19Å; A190-A355 HydrophobicContact CB-CB 3.92Å; L193-A355 HydrophobicContact CD2-CB 4.18Å; F260-A355 HydrophobicContact CZ-CB 4.28Å; F319-A355 HydrophobicContact CD2-CB 4.34Å; F319-A355 HydrophobicContact CE2-CB 4.33Å; F351-A355 VanDerWaalsContact O-CB 3.31Å; F351-A355 WeakPolarHBondContact O-CB 3.22Å; F351-A355 PolarHBondContact O-N 3.38Å; A355-R359 WeakPolarHBondContact O-CB 3.07Å; A355-R359 PolarHBondContact O-N 2.79Å; A355-R359 VanDerWaalsContact O-N 3.12Å
356A97.6Very high96.2Very high0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-64.3-44.9177.100000111.7C186 I187 A190 V352 A354 R359 M360C186-A356 HydrophobicContact CB-CB 4.44Å; I187-A356 HydrophobicContact CB-CB 4.48Å; I187-A356 HydrophobicContact CG1-CB 3.89Å; A190-A356 HydrophobicContact CB-CB 3.84Å; V352-A356 WeakPolarHBondContact O-CB 3.39Å; V352-A356 PolarHBondContact O-N 2.94Å; A354-A356 PolarHBondContact O-N 3.23Å; A356-R359 PolarHBondContact O-N 2.83Å; A356-M360 HydrophobicContact CB-CE 3.87Å; A356-M360 WeakPolarHBondContact O-CG 3.5Å; A356-M360 PolarHBondContact O-N 2.62Å
357N98Very high96.3Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-69.1-38.6-178.4-83.1-55.2000113.3Y315 T353 A354 R359 M360 N361 M367 K368Y315-N357 HydrophobicContact CD1-CB 4.05Å; Y315-N357 HydrophobicContact CD2-CB 3.76Å; Y315-N357 HydrophobicContact CE1-CB 4.06Å; Y315-N357 WeakPolarHBondContact CE1-ND2 3.29Å; Y315-N357 HydrophobicContact CE2-CB 3.75Å; Y315-N357 HydrophobicContact CG-CB 3.91Å; Y315-N357 PolarHBondContact OH-ND2 3.11Å; T353-N357 WeakPolarHBondContact O-CB 3.44Å; T353-N357 PolarHBondContact O-N 3.41Å; T353-N357 PolarHBondContact O-ND2 3.49Å; A354-N357 PolarHBondContact O-N 3.15Å; N357-R359 VanDerWaalsContact C-N 3.3Å; N357-R359 PolarHBondContact O-N 2.81Å; N357-M360 PolarHBondContact O-N 2.96Å; N357-N361 PolarHBondContact O-N 3.37Å; N357-M367 HydrophobicContact CB-CB 4.39Å; N357-M367 HydrophobicContact CB-CG 4.2Å; N357-M367 HydrophobicContact CB-SD 4.32Å; N357-M367 VanDerWaalsContact OD1-CA 3.28Å; N357-M367 WeakPolarHBondContact OD1-CA 3.22Å; N357-M367 VanDerWaalsContact OD1-CB 3.3Å; N357-M367 WeakPolarHBondContact OD1-CB 3.33Å; N357-K368 PolarHBondContact ND2-O 3.13Å; N357-K368 PolarHBondContact OD1-N 3.39Å; N357-K368 PolarHBondContact OD1-O 3Å
358L97.5Very high96.3Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-60.2-43172.6-69.3169.1000110.7F256 F260 L283 V312 F319 A354 N361 I362F256-L358 HydrophobicContact CD2-CD1 4.16Å; F256-L358 HydrophobicContact CE2-CD1 3.78Å; F256-L358 HydrophobicContact CE2-CD2 4.13Å; F260-L358 HydrophobicContact CD1-CB 4.05Å; F260-L358 HydrophobicContact CD2-CD1 4.25Å; F260-L358 HydrophobicContact CE1-CB 3.7Å; F260-L358 HydrophobicContact CE1-CD1 4.5Å; F260-L358 HydrophobicContact CE2-CB 4.42Å; F260-L358 HydrophobicContact CE2-CD1 3.76Å; F260-L358 HydrophobicContact CZ-CB 3.92Å; F260-L358 HydrophobicContact CZ-CD1 3.9Å; L283-L358 HydrophobicContact CD1-CD2 4.11Å; V312-L358 HydrophobicContact CG1-CD2 4.11Å; F319-L358 HydrophobicContact CB-CD1 4.12Å; F319-L358 HydrophobicContact CG-CD1 4.32Å; A354-L358 WeakPolarHBondContact O-CB 3.32Å; A354-L358 VanDerWaalsContact O-CG 3.25Å; A354-L358 WeakPolarHBondContact O-CG 3.4Å; A354-L358 PolarHBondContact O-N 3.42Å; L358-N361 PolarHBondContact O-N 2.76Å; L358-I362 WeakPolarHBondContact O-CD1 3.4Å; L358-I362 WeakPolarHBondContact O-CG1 3.45Å; L358-I362 PolarHBondContact O-N 3.16Å; L358-I362 VanDerWaalsContact O-N 3.1Å
359R96.9Very high96.3Very high8 Ų821.3 Ų21.33%0.0311%0.112CC..Hα-helixtrans-65.2-42.8173.9-166.6171.5-179.998.2-3.5112.3I176 R177 C186 W189 A355 A356 N357 N361 I362 F363I176-R359 PolarHBondContact O-NH2 2.88Å; R177-R359 PolarHBondContact O-NH2 3.1Å; C186-R359 HydrophobicContact CB-CB 4.24Å; C186-R359 HydrophobicContact CB-CG 4.38Å; W189-R359 HydrophobicContact CE3-CB 4.31Å; W189-R359 HydrophobicContact CE3-CG 4.4Å; W189-R359 VanDerWaalsContact CG-CZ 3.42Å; W189-R359 VanDerWaalsContact CG-NE 3.34Å; W189-R359 VanDerWaalsContact CZ2-NH1 3.26Å; W189-R359 HydrophobicContact CZ3-CB 4.29Å; W189-R359 VanDerWaalsContact NE1-CZ 3.34Å; A355-R359 WeakPolarHBondContact O-CB 3.07Å; A355-R359 PolarHBondContact O-N 2.79Å; A355-R359 VanDerWaalsContact O-N 3.12Å; A356-R359 PolarHBondContact O-N 2.83Å; N357-R359 VanDerWaalsContact C-N 3.3Å; N357-R359 PolarHBondContact O-N 2.81Å; R359-N361 VanDerWaalsContact C-N 3.28Å; R359-N361 PolarHBondContact O-N 3.43Å; R359-I362 WeakPolarHBondContact O-CB 3.41Å; R359-I362 PolarHBondContact O-N 3.21Å; R359-F363 HydrophobicContact CG-CD2 3.98Å; R359-F363 HydrophobicContact CG-CE2 3.98Å; R359-F363 WeakPolarHBondContact O-CD2 3.3Å; R359-F363 PolarHBondContact O-N 3.34Å; R359-F363 VanDerWaalsContact O-N 3.14Å
360M96.6Very high96.3Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-55.8-45.1174.4-73.8179.4-13000111.1P183 C186 I187 A356 N357 I362 F363 S364 M365 K368 V373P183-M360 HydrophobicContact CB-CE 4.3Å; P183-M360 HydrophobicContact CB-SD 3.86Å; P183-M360 HydrophobicContact CG-SD 4.5Å; C186-M360 HydrophobicContact CB-CE 4.28Å; C186-M360 HydrophobicContact CB-CG 3.71Å; I187-M360 HydrophobicContact CD1-CE 4.37Å; I187-M360 HydrophobicContact CG1-CE 4Å; A356-M360 HydrophobicContact CB-CE 3.87Å; A356-M360 WeakPolarHBondContact O-CG 3.5Å; A356-M360 PolarHBondContact O-N 2.62Å; N357-M360 PolarHBondContact O-N 2.96Å; M360-I362 PolarHBondContact O-N 3.28Å; M360-F363 CarbonylContact O-C 3.5Å; M360-F363 PolarHBondContact O-N 2.88Å; M360-S364 PolarHBondContact O-N 2.77Å; M360-M365 HydrophobicContact CB-CB 3.98Å; M360-M365 HydrophobicContact CG-CB 4.35Å; M360-M365 WeakPolarHBondContact O-CB 3.43Å; M360-M365 PolarHBondContact O-N 2.86Å; M360-K368 HydrophobicContact SD-CB 4.48Å; M360-K368 HydrophobicContact SD-CG 4.15Å; M360-V373 HydrophobicContact CE-CG2 4.41Å
361N96.3Very high95.9Very high54 Ų5427 Ų2729%0.28914%0.135SC..Hα-helixtrans-61.6-45.2178.6-173.7-100.4000112.5N357 L358 R359 F363 S364 M367N357-N361 PolarHBondContact O-N 3.37Å; L358-N361 PolarHBondContact O-N 2.76Å; R359-N361 VanDerWaalsContact C-N 3.28Å; R359-N361 PolarHBondContact O-N 3.43Å; N361-F363 VanDerWaalsContact C-N 3.27Å; N361-F363 PolarHBondContact O-N 3.38Å; N361-S364 PolarHBondContact O-N 3.13Å; N361-M367 HydrophobicContact CB-CG 4.38Å; N361-M367 HydrophobicContact CB-SD 4.17Å
362I96.1Very high95.6Very high0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-54.4-44.9176.4-72.9161.2000111.3F260 I264 P280 A281 L283 L358 R359 M360 S364F260-I362 HydrophobicContact CB-CD1 3.85Å; F260-I362 HydrophobicContact CD1-CD1 3.52Å; F260-I362 HydrophobicContact CG-CD1 4.12Å; I264-I362 HydrophobicContact CD1-CD1 4.42Å; I264-I362 HydrophobicContact CD1-CG2 3.79Å; I264-I362 HydrophobicContact CG1-CD1 4.13Å; I264-I362 HydrophobicContact CG1-CG2 3.99Å; I264-I362 HydrophobicContact CG2-CG2 4.01Å; P280-I362 CarbonylContact C-O 3.59Å; P280-I362 VanDerWaalsContact CA-O 3.31Å; P280-I362 WeakPolarHBondContact CA-O 3.37Å; P280-I362 HydrophobicContact CB-CG2 3.55Å; A281-I362 PolarHBondContact N-O 2.98Å; A281-I362 WeakPolarHBondContact O-CG1 3.3Å; L283-I362 HydrophobicContact CD1-CD1 4.06Å; L283-I362 HydrophobicContact CD1-CG1 3.79Å; L283-I362 HydrophobicContact CG-CD1 4.2Å; L283-I362 HydrophobicContact CG-CG1 3.71Å; L358-I362 WeakPolarHBondContact O-CD1 3.4Å; L358-I362 WeakPolarHBondContact O-CG1 3.45Å; L358-I362 PolarHBondContact O-N 3.16Å; L358-I362 VanDerWaalsContact O-N 3.1Å; R359-I362 WeakPolarHBondContact O-CB 3.41Å; R359-I362 PolarHBondContact O-N 3.21Å; M360-I362 PolarHBondContact O-N 3.28Å; I362-S364 PolarHBondContact O-N 2.9Å
363F94.3Very high95.4Very high22 Ų2230 Ų3010%0.09615%0.151CC..THydrogen-bonded Turntrans-87.416.1179.6-71.3-88.2000113.5N178 P180 I264 L267 W274 P280 R359 M360 N361 M365N178-F363 WeakPolarHBondContact O-CE1 3.28Å; P180-F363 HydrophobicContact CG-CB 4.49Å; P180-F363 HydrophobicContact CG-CD1 3.8Å; P180-F363 HydrophobicContact CG-CD2 3.57Å; P180-F363 HydrophobicContact CG-CE1 3.81Å; P180-F363 HydrophobicContact CG-CE2 3.58Å; P180-F363 HydrophobicContact CG-CG 3.69Å; P180-F363 HydrophobicContact CG-CZ 3.7Å; I264-F363 HydrophobicContact CD1-CE2 4.32Å; L267-F363 HydrophobicContact CD2-CE1 4.27Å; L267-F363 HydrophobicContact CD2-CZ 3.76Å; W274-F363 AromaticContact CH2-CE1 3.94Å; W274-F363 HydrophobicContact CH2-CE1 3.94Å; W274-F363 HydrophobicContact CZ3-CE1 4.32Å; P280-F363 HydrophobicContact CB-CD1 4.05Å; P280-F363 HydrophobicContact CB-CE1 3.86Å; P280-F363 HydrophobicContact CB-CG 4.46Å; P280-F363 HydrophobicContact CB-CZ 4.13Å; P280-F363 HydrophobicContact CG-CE1 4.15Å; P280-F363 HydrophobicContact CG-CZ 4.49Å; R359-F363 HydrophobicContact CG-CD2 3.98Å; R359-F363 HydrophobicContact CG-CE2 3.98Å; R359-F363 WeakPolarHBondContact O-CD2 3.3Å; R359-F363 PolarHBondContact O-N 3.34Å; R359-F363 VanDerWaalsContact O-N 3.14Å; M360-F363 CarbonylContact O-C 3.5Å; M360-F363 PolarHBondContact O-N 2.88Å; N361-F363 VanDerWaalsContact C-N 3.27Å; N361-F363 PolarHBondContact O-N 3.38Å; F363-M365 VanDerWaalsContact C-N 3.25Å; F363-M365 HydrophobicContact CB-CE 3.61Å; F363-M365 HydrophobicContact CG-CE 4.44Å; F363-M365 PolarHBondContact O-N 3.23Å
364S94.4Very high95.1Very high54 Ų5432.1 Ų32.138%0.37816%0.16SC..THydrogen-bonded Turntrans57.932.8177.7-58.70000114.8K278 M360 N361 I362K278-S364 WeakPolarHBondContact CD-OG 3.35Å; K278-S364 VanDerWaalsContact CE-OG 3.26Å; K278-S364 WeakPolarHBondContact CE-OG 3.45Å; K278-S364 PolarHBondContact NZ-OG 2.89Å; M360-S364 PolarHBondContact O-N 2.77Å; N361-S364 PolarHBondContact O-N 3.13Å; I362-S364 PolarHBondContact O-N 2.9Å
365M94.1Very high94.6Very high27 Ų2734.4 Ų34.413%0.13318%0.176CC..PPolyproline II helixtrans-93.6153.9171-67.8-176.5-9800111.1P180 C186 M360 F363 M367P180-M365 HydrophobicContact CB-CE 4.16Å; P180-M365 HydrophobicContact CG-CE 4.42Å; P180-M365 WeakPolarHBondContact O-CE 3.49Å; C186-M365 WeakPolarHBondContact SG-CE 3.5Å; M360-M365 HydrophobicContact CB-CB 3.98Å; M360-M365 HydrophobicContact CG-CB 4.35Å; M360-M365 WeakPolarHBondContact O-CB 3.43Å; M360-M365 PolarHBondContact O-N 2.86Å; F363-M365 VanDerWaalsContact C-N 3.25Å; F363-M365 HydrophobicContact CB-CE 3.61Å; F363-M365 HydrophobicContact CG-CE 4.44Å; F363-M365 PolarHBondContact O-N 3.23Å; M365-M367 PolarHBondContact O-N 3.41Å
366N93.8Very high94Very high147 Ų14736.9 Ų36.979%0.78619%0.188SC*.PPolyproline II helixtrans-68.4123.4172.5-68.9-33.8000109.7
367M96.4Very high93.5Very high39 Ų3937 Ų3719%0.19219%0.189CC..PPolyproline II helixtrans-61.5151.6172.4-65.5-176.3-59.300110.6V309 L310 V312 Y315 N357 N361 M365V309-M367 HydrophobicContact CG1-CB 3.81Å; L310-M367 WeakPolarHBondContact O-CE 3.36Å; V312-M367 HydrophobicContact CG2-CE 4.13Å; V312-M367 HydrophobicContact CG2-SD 4.25Å; Y315-M367 HydrophobicContact CD2-CE 4.37Å; Y315-M367 HydrophobicContact CD2-SD 3.65Å; Y315-M367 HydrophobicContact CE2-CB 4.21Å; Y315-M367 HydrophobicContact CE2-CE 4.15Å; Y315-M367 HydrophobicContact CE2-CG 4.47Å; Y315-M367 HydrophobicContact CE2-SD 3.68Å; N357-M367 HydrophobicContact CB-CB 4.39Å; N357-M367 HydrophobicContact CB-CG 4.2Å; N357-M367 HydrophobicContact CB-SD 4.32Å; N357-M367 VanDerWaalsContact OD1-CA 3.28Å; N357-M367 WeakPolarHBondContact OD1-CA 3.22Å; N357-M367 VanDerWaalsContact OD1-CB 3.3Å; N357-M367 WeakPolarHBondContact OD1-CB 3.33Å; N361-M367 HydrophobicContact CB-CG 4.38Å; N361-M367 HydrophobicContact CB-SD 4.17Å; M365-M367 PolarHBondContact O-N 3.41Å
368K95.1Very high92.7Very high63 Ų6337.8 Ų37.827%0.27420%0.197SC..  trans-118.3152.6-176.5-68.3-167175.7-77.10112P183 Y315 N357 M360 D372 V373 M376P183-K368 HydrophobicContact CB-CD 3.85Å; P183-K368 HydrophobicContact CG-CD 4.42Å; P183-K368 VanDerWaalsContact CG-CE 3.42Å; Y315-K368 PolarHBondContact OH-O 2.95Å; N357-K368 PolarHBondContact ND2-O 3.13Å; N357-K368 PolarHBondContact OD1-N 3.39Å; N357-K368 PolarHBondContact OD1-O 3Å; M360-K368 HydrophobicContact SD-CB 4.48Å; M360-K368 HydrophobicContact SD-CG 4.15Å; K368-D372 HydrophobicContact CB-CB 4.19Å; K368-D372 HydrophobicContact CD-CB 4.33Å; K368-V373 HydrophobicContact CB-CG2 4.04Å; K368-M376 HydrophobicContact CD-CE 3.47Å; K368-M376 VanDerWaalsContact CD-CE 3.47Å; K368-M376 HydrophobicContact CD-SD 4.49Å
369S94.9Very high91.7Very high3 Ų341.5 Ų41.52%0.02122%0.217CC..  trans-65.7158.917973.10000111.1D306 Q307 F371 D372 V373D306-S369 WeakPolarHBondContact O-CB 3.49Å; Q307-S369 WeakPolarHBondContact O-CB 3.4Å; S369-F371 PolarHBondContact O-N 3.17Å; S369-D372 PolarHBondContact N-OD2 3.3Å; S369-D372 PolarHBondContact O-N 3.01Å; S369-D372 PolarHBondContact OG-N 3.34Å; S369-D372 VanDerWaalsContact OG-N 3.14Å; S369-D372 PolarHBondContact OG-OD2 3.14Å; S369-V373 WeakPolarHBondContact O-CG2 3.5Å; S369-V373 PolarHBondContact O-N 3.15Å
370R94.6Very high90.5Very high48 Ų4844.3 Ų44.318%0.18123%0.232CC..Hα-helixtrans-57.2-36.9173.4-175.7-179.3-174.3-82.2-5.5111.1D306 D350 T353 K374D306-R370 HydrophobicContact CB-CB 4.27Å; D306-R370 PolarHBondContact O-N 2.96Å; D306-R370 VanDerWaalsContact O-N 3.15Å; D306-R370 IonicContact OD2-CZ 3.81Å; D306-R370 IonicContact OD2-NH1 3.59Å; D306-R370 PolarHBondContact OD2-NH1 3.11Å; D350-R370 IonicContact OD1-CZ 2.66Å; D350-R370 IonicContact OD1-NE 3.32Å; D350-R370 PolarHBondContact OD1-NE 3.09Å; D350-R370 IonicContact OD1-NH2 3.58Å; D350-R370 PolarHBondContact OD1-NH2 3.27Å; T353-R370 HydrophobicContact CG2-CB 3.94Å; T353-R370 HydrophobicContact CG2-CG 4.13Å; R370-K374 VanDerWaalsContact O-CB 3.25Å; R370-K374 WeakPolarHBondContact O-CB 3.47Å; R370-K374 PolarHBondContact O-N 3.04Å
371F90.1Very high89.1Confident102 Ų10248.1 Ų48.145%0.44725%0.251SS..Hα-helixtrans-59.4-49.9176.1-176.7-90.9000112.1D306 Q307 S369 K374 S375D306-F371 HydrophobicContact CB-CB 4.33Å; D306-F371 WeakPolarHBondContact O-CB 3.05Å; D306-F371 PolarHBondContact O-N 3.24Å; Q307-F371 HydrophobicContact CG-CB 4.03Å; Q307-F371 HydrophobicContact CG-CD1 4.44Å; Q307-F371 HydrophobicContact CG-CD2 4.48Å; Q307-F371 HydrophobicContact CG-CG 4.07Å; S369-F371 PolarHBondContact O-N 3.17Å; F371-K374 PolarHBondContact O-N 3.44Å; F371-S375 PolarHBondContact O-N 2.82Å
372D90.8Very high87.8Confident63 Ų6349.8 Ų49.834%0.33727%0.266SS..Hα-helixtrans-66.4-44.3-180-59-42.3000111.3K368 S369 K374 S375 M376K368-D372 HydrophobicContact CB-CB 4.19Å; K368-D372 HydrophobicContact CD-CB 4.33Å; S369-D372 PolarHBondContact N-OD2 3.3Å; S369-D372 PolarHBondContact O-N 3.01Å; S369-D372 PolarHBondContact OG-N 3.34Å; S369-D372 VanDerWaalsContact OG-N 3.14Å; S369-D372 PolarHBondContact OG-OD2 3.14Å; D372-K374 VanDerWaalsContact C-N 3.32Å; D372-K374 PolarHBondContact O-N 3.38Å; D372-S375 WeakPolarHBondContact O-CB 3.49Å; D372-S375 PolarHBondContact O-N 3.35Å; D372-S375 VanDerWaalsContact O-N 3.17Å; D372-M376 HydrophobicContact CB-CE 3.94Å; D372-M376 WeakPolarHBondContact O-CE 3.46Å; D372-M376 PolarHBondContact O-N 3.28Å
373V92.7Very high86.6Confident0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-61.9-41.8178176.70000110.7I187 V352 M360 K368 S369 S375 M376 A377I187-V373 HydrophobicContact CD1-CB 4.4Å; I187-V373 HydrophobicContact CD1-CG1 4.17Å; I187-V373 HydrophobicContact CD1-CG2 4.19Å; I187-V373 HydrophobicContact CG1-CG1 4.06Å; I187-V373 HydrophobicContact CG1-CG2 4.45Å; I187-V373 HydrophobicContact CG2-CG1 4.37Å; V352-V373 HydrophobicContact CG1-CG1 4.12Å; M360-V373 HydrophobicContact CE-CG2 4.41Å; K368-V373 HydrophobicContact CB-CG2 4.04Å; S369-V373 WeakPolarHBondContact O-CG2 3.5Å; S369-V373 PolarHBondContact O-N 3.15Å; V373-S375 VanDerWaalsContact C-N 3.31Å; V373-S375 PolarHBondContact O-N 2.9Å; V373-M376 PolarHBondContact O-N 3.32Å; V373-A377 WeakPolarHBondContact O-CB 3.32Å; V373-A377 PolarHBondContact O-N 2.82Å
374K91.1Very high85.9Confident44 Ų4452.3 Ų52.319%0.19128%0.283CS..Hα-helixtrans-59.9-41.3174.9-175.3165.7169.8153.90112K343 D344 M349 R370 F371 D372 G378 I380K343-K374 WeakPolarHBondContact O-CE 3.39Å; K343-K374 PolarHBondContact O-NZ 3.19Å; D344-K374 IonicContact OD1-NZ 3.82Å; D344-K374 PolarHBondContact OD1-NZ 3.42Å; M349-K374 VanDerWaalsContact CE-CA 3.43Å; M349-K374 HydrophobicContact CE-CB 3.64Å; M349-K374 HydrophobicContact CE-CG 3.97Å; M349-K374 HydrophobicContact CG-CD 4.47Å; M349-K374 HydrophobicContact SD-CG 4.26Å; R370-K374 VanDerWaalsContact O-CB 3.25Å; R370-K374 WeakPolarHBondContact O-CB 3.47Å; R370-K374 PolarHBondContact O-N 3.04Å; F371-K374 PolarHBondContact O-N 3.44Å; D372-K374 VanDerWaalsContact C-N 3.32Å; D372-K374 PolarHBondContact O-N 3.38Å; K374-G378 PolarHBondContact O-N 3.26Å; K374-G378 VanDerWaalsContact O-N 3.08Å; K374-I380 HydrophobicContact CD-CD1 4.46Å; K374-I380 HydrophobicContact CG-CD1 3.77Å
375S86.8Confident85.2Confident48 Ų4851.5 Ų51.534%0.33628%0.28SS..Hα-helixtrans-61.8-46.2178-161.60000112.4F371 D372 V373 N379 I380F371-S375 PolarHBondContact O-N 2.82Å; D372-S375 WeakPolarHBondContact O-CB 3.49Å; D372-S375 PolarHBondContact O-N 3.35Å; D372-S375 VanDerWaalsContact O-N 3.17Å; V373-S375 VanDerWaalsContact C-N 3.31Å; V373-S375 PolarHBondContact O-N 2.9Å; S375-N379 PolarHBondContact O-N 2.97Å; S375-I380 PolarHBondContact O-N 3.18Å
376M85.9Confident85.2Confident53 Ų5354.6 Ų54.626%0.26130%0.3SS..Hα-helixtrans-75.5-42.8-179.8-80.9172.9-7500113.2I184 I187 K368 D372 V373 G378 N379I184-M376 HydrophobicContact CD1-CB 3.95Å; I184-M376 HydrophobicContact CD1-CG 4.29Å; I187-M376 HydrophobicContact CD1-CB 3.71Å; I187-M376 HydrophobicContact CD1-CE 3.59Å; I187-M376 HydrophobicContact CD1-CG 4.35Å; I187-M376 HydrophobicContact CD1-SD 3.72Å; K368-M376 HydrophobicContact CD-CE 3.47Å; K368-M376 VanDerWaalsContact CD-CE 3.47Å; K368-M376 HydrophobicContact CD-SD 4.49Å; D372-M376 HydrophobicContact CB-CE 3.94Å; D372-M376 WeakPolarHBondContact O-CE 3.46Å; D372-M376 PolarHBondContact O-N 3.28Å; V373-M376 PolarHBondContact O-N 3.32Å; M376-G378 VanDerWaalsContact C-N 3.32Å; M376-G378 PolarHBondContact O-N 2.82Å; M376-N379 PolarHBondContact O-N 3.3Å; M376-N379 PolarHBondContact O-OD1 3.39Å
377A86.9Confident85Confident2 Ų247.9 Ų47.92%0.01726%0.264CS..Hα-helixtrans-67-37.3-177.900000111.9I187 K191 W341 M349 V352 V373I187-A377 HydrophobicContact CG2-CB 3.62Å; K191-A377 HydrophobicContact CD-CB 4.21Å; K191-A377 PolarHBondContact NZ-O 3.5Å; W341-A377 HydrophobicContact CH2-CB 3.99Å; W341-A377 VanDerWaalsContact CH2-O 3.23Å; W341-A377 WeakPolarHBondContact CH2-O 3.25Å; W341-A377 HydrophobicContact CZ2-CB 3.81Å; M349-A377 HydrophobicContact CE-CB 4.48Å; V352-A377 HydrophobicContact CG1-CB 4.14Å; V373-A377 WeakPolarHBondContact O-CB 3.32Å; V373-A377 PolarHBondContact O-N 2.82Å
378G80.6Confident84.6Confident17 Ų1746.1 Ų46.118%0.17526%0.256CS..THydrogen-bonded Turntrans-966.6-177.700000114.8K374 M376 I380K374-G378 PolarHBondContact O-N 3.26Å; K374-G378 VanDerWaalsContact O-N 3.08Å; M376-G378 VanDerWaalsContact C-N 3.32Å; M376-G378 PolarHBondContact O-N 2.82Å; G378-I380 PolarHBondContact O-N 2.88Å
379N77.3Confident84.7Confident78 Ų7844.8 Ų44.842%0.41726%0.256SS..THydrogen-bonded Turntrans44.649.2-175.2-60.3-24.8000111.8Q168 S375 M376 I381Q168-N379 PolarHBondContact NE2-ND2 3.29Å; S375-N379 PolarHBondContact O-N 2.97Å; M376-N379 PolarHBondContact O-N 3.3Å; M376-N379 PolarHBondContact O-OD1 3.39Å; N379-I381 PolarHBondContact O-N 3.44Å; N379-I381 VanDerWaalsContact O-N 3.11Å
380I70.8Confident84.8Confident67 Ų6747.5 Ų47.534%0.34427%0.273SS..  trans-73.1111.1-169.8-61.6-175.8000110K374 S375 G378K374-I380 HydrophobicContact CD-CD1 4.46Å; K374-I380 HydrophobicContact CG-CD1 3.77Å; S375-I380 PolarHBondContact O-N 3.18Å; G378-I380 PolarHBondContact O-N 2.88Å
381I67.6Low85Confident79 Ų7945.2 Ų45.241%0.40526%0.264SS..  trans-81.8122.5170-58.3171.3000108.6A143 N379 A383 D585A143-I381 HydrophobicContact CB-CG2 3.53Å; N379-I381 PolarHBondContact O-N 3.44Å; N379-I381 VanDerWaalsContact O-N 3.11Å; I381-A383 PolarHBondContact O-N 3.42Å; I381-D585 VanDerWaalsContact CD1-OD1 3.28Å; I381-D585 WeakPolarHBondContact CD1-OD1 3.39Å
382P69.6Low85.4Confident90 Ų9040.4 Ų40.458%0.58424%0.243SC*.  trans-56134173.1-24.334.1000110.3G144G144-P382 WeakPolarHBondContact CA-O 3.39Å; G144-P382 PolarHBondContact N-O 2.68Å
383A71.6Confident85.7Confident27 Ų2738.5 Ų38.522%0.22324%0.238CC..BIsolated β-bridgetrans-132.9127.5-176.600000110.8R60 I381R60-A383 VanDerWaalsContact NE-CB 3.29Å; I381-A383 PolarHBondContact O-N 3.42Å
384I79.5Confident86Confident48 Ų4839.2 Ų39.225%0.24624%0.242CC..  trans-118131.6-172.9-50.3179.1000109G144 Y145 T386 T387 N388G144-I384 WeakPolarHBondContact O-CD1 3.35Å; Y145-I384 HydrophobicContact CD1-CD1 3.67Å; Y145-I384 HydrophobicContact CD2-CD1 4.2Å; Y145-I384 HydrophobicContact CE1-CD1 3.4Å; Y145-I384 VanDerWaalsContact CE1-CD1 3.4Å; Y145-I384 HydrophobicContact CE2-CD1 3.97Å; Y145-I384 HydrophobicContact CG-CD1 4.06Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 VanDerWaalsContact CG2-OG1 3.29Å; I384-T386 WeakPolarHBondContact CG2-OG1 3.49Å; I384-T386 PolarHBondContact O-N 2.75Å; I384-T387 PolarHBondContact O-N 2.79Å; I384-N388 PolarHBondContact O-N 2.97Å
385A80Confident86.4Confident37 Ų3737.1 Ų37.131%0.30623%0.233SC..Hα-helixtrans-55.9-39.8-178.400000112.8R60 N388 A389R60-A385 HydrophobicContact CB-CB 4.14Å; A385-N388 PolarHBondContact O-N 2.66Å; A385-A389 WeakPolarHBondContact O-CB 3.36Å; A385-A389 PolarHBondContact O-N 2.81Å
386T92.8Very high86.9Confident92 Ų9235.1 Ų35.156%0.56422%0.219SC*.Hα-helixtrans-65.3-40.5179.951.30000112.5I384 A389 V390I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 VanDerWaalsContact CG2-OG1 3.29Å; I384-T386 WeakPolarHBondContact CG2-OG1 3.49Å; I384-T386 PolarHBondContact O-N 2.75Å; T386-A389 PolarHBondContact O-N 3.32Å; T386-V390 WeakPolarHBondContact O-CG2 3.33Å; T386-V390 PolarHBondContact O-N 3.24Å
387T89.2Confident87.5Confident5 Ų537.2 Ų37.23%0.03123%0.231CC..Hα-helixtrans-63.3-47.1177.2-470000110.1T142 G144 L146 I384 A389 V390 I391 L415T142-T387 HydrophobicContact CG2-CG2 3.9Å; G144-T387 WeakPolarHBondContact O-CB 3.43Å; G144-T387 WeakPolarHBondContact O-CG2 3.4Å; G144-T387 PolarHBondContact O-OG1 2.75Å; L146-T387 VanDerWaalsContact O-CG2 3.32Å; L146-T387 WeakPolarHBondContact O-CG2 3.43Å; I384-T387 PolarHBondContact O-N 2.79Å; T387-A389 VanDerWaalsContact C-N 3.32Å; T387-A389 PolarHBondContact O-N 2.95Å; T387-V390 PolarHBondContact O-N 2.89Å; T387-I391 WeakPolarHBondContact O-CG1 3.31Å; T387-I391 PolarHBondContact O-N 3.33Å; T387-L415 HydrophobicContact CG2-CD2 3.75Å
388N89.3Confident88Confident3 Ų337.2 Ų37.22%0.01623%0.23CC..Hα-helixtrans-57.8-43.3175.2-64.8-21.2000112.2G28 I29 T142 I384 A385 I391 A392G28-N388 WeakPolarHBondContact CA-ND2 3.37Å; I29-N388 HydrophobicContact CG1-CB 4.38Å; T142-N388 PolarHBondContact OG1-OD1 3.43Å; I384-N388 PolarHBondContact O-N 2.97Å; A385-N388 PolarHBondContact O-N 2.66Å; N388-I391 PolarHBondContact O-N 2.74Å; N388-A392 WeakPolarHBondContact O-CB 3.39Å; N388-A392 PolarHBondContact O-N 3.49Å
389A96.4Very high88.8Confident34 Ų3436.5 Ų36.528%0.28122%0.223SC..Hα-helixtrans-65.5-39.6179.300000112.5E32 A385 T386 T387 G393E32-A389 HydrophobicContact CG-CB 4.05Å; A385-A389 WeakPolarHBondContact O-CB 3.36Å; A385-A389 PolarHBondContact O-N 2.81Å; T386-A389 PolarHBondContact O-N 3.32Å; T387-A389 VanDerWaalsContact C-N 3.32Å; T387-A389 PolarHBondContact O-N 2.95Å; A389-G393 PolarHBondContact O-N 3.14Å
390V98Very high89.7Confident61 Ų6133.9 Ų33.937%0.3721%0.209SC..Hα-helixtrans-63.4-52.3174.9171.60000110.3T386 T387 A392 G393 L394 L415 L426T386-V390 WeakPolarHBondContact O-CG2 3.33Å; T386-V390 PolarHBondContact O-N 3.24Å; T387-V390 PolarHBondContact O-N 2.89Å; V390-A392 PolarHBondContact O-N 2.93Å; V390-G393 PolarHBondContact O-N 2.91Å; V390-G393 VanDerWaalsContact O-N 3.13Å; V390-L394 HydrophobicContact CG1-CD1 4.2Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.23Å; V390-L415 HydrophobicContact CB-CD2 4.21Å; V390-L415 HydrophobicContact CG1-CD1 4.4Å; V390-L415 HydrophobicContact CG1-CD2 3.92Å; V390-L426 HydrophobicContact CG1-CD2 4.3Å
391I97.8Very high90.9Very high0 Ų033.2 Ų33.20%020%0.203CC..Hα-helixtrans-61.1-46.2-179.9-66-48.2000111.2I29 T142 V149 T387 N388 G393 L394 I395 L415I29-I391 HydrophobicContact CD1-CG2 4.01Å; I29-I391 HydrophobicContact CG1-CG2 4.45Å; T142-I391 HydrophobicContact CG2-CB 3.96Å; T142-I391 HydrophobicContact CG2-CG1 3.53Å; T142-I391 HydrophobicContact CG2-CG2 4.25Å; V149-I391 HydrophobicContact CG2-CD1 4.38Å; V149-I391 HydrophobicContact CG2-CG2 3.72Å; T387-I391 WeakPolarHBondContact O-CG1 3.31Å; T387-I391 PolarHBondContact O-N 3.33Å; N388-I391 PolarHBondContact O-N 2.74Å; I391-G393 PolarHBondContact O-N 3.01Å; I391-L394 HydrophobicContact CD1-CD1 4.11Å; I391-L394 WeakPolarHBondContact O-CB 3.34Å; I391-L394 PolarHBondContact O-N 3.21Å; I391-I395 HydrophobicContact CG2-CD1 4.29Å; I391-I395 WeakPolarHBondContact O-CG1 3.48Å; I391-I395 PolarHBondContact O-N 3.29Å; I391-L415 HydrophobicContact CD1-CB 4.1Å; I391-L415 HydrophobicContact CD1-CD2 4.23Å
392A98.1Very high92.3Very high0 Ų030.1 Ų30.10%019%0.187CC..Hα-helixtrans-60.9-31.2175.700000113.5I29 E32 L33 N36 N388 V390 V396I29-A392 HydrophobicContact CG2-CB 4.31Å; E32-A392 HydrophobicContact CB-CB 3.45Å; E32-A392 VanDerWaalsContact CB-CB 3.45Å; L33-A392 HydrophobicContact CB-CB 4.17Å; N36-A392 VanDerWaalsContact ND2-C 3.3Å; N36-A392 PolarHBondContact ND2-O 2.9Å; N388-A392 WeakPolarHBondContact O-CB 3.39Å; N388-A392 PolarHBondContact O-N 3.49Å; V390-A392 PolarHBondContact O-N 2.93Å; A392-V396 PolarHBondContact O-N 3.18Å
393G98.4Very high93.5Very high23 Ų2327 Ų2724%0.23717%0.166CC..Hα-helixtrans-67.4-45.5171.800000111.9N36 A389 V390 I391 I395 V396 L397N36-G393 PolarHBondContact ND2-N 3.2Å; A389-G393 PolarHBondContact O-N 3.14Å; V390-G393 PolarHBondContact O-N 2.91Å; V390-G393 VanDerWaalsContact O-N 3.13Å; I391-G393 PolarHBondContact O-N 3.01Å; G393-I395 PolarHBondContact O-N 3.17Å; G393-V396 PolarHBondContact O-N 3.35Å; G393-L397 WeakPolarHBondContact O-CG 3.4Å; G393-L397 PolarHBondContact O-N 2.8Å; G393-L397 VanDerWaalsContact O-N 3.1Å
394L98.6Very high94.6Very high15 Ų1527.7 Ų27.78%0.07917%0.169CC..Hα-helixtrans-62.4-39.5177.7-66.4173.7000112.3V149 V390 I391 V396 L397 E398 I413 L426V149-L394 HydrophobicContact CB-CB 4.35Å; V149-L394 HydrophobicContact CG2-CB 3.75Å; V390-L394 HydrophobicContact CG1-CD1 4.2Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.23Å; I391-L394 HydrophobicContact CD1-CD1 4.11Å; I391-L394 WeakPolarHBondContact O-CB 3.34Å; I391-L394 PolarHBondContact O-N 3.21Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.16Å; L394-L397 HydrophobicContact CD2-CD1 4.35Å; L394-L397 PolarHBondContact O-N 2.71Å; L394-E398 PolarHBondContact O-N 2.76Å; L394-I413 HydrophobicContact CD1-CB 4.43Å; L394-I413 HydrophobicContact CD1-CG2 3.89Å; L394-I413 HydrophobicContact CD2-CD1 4.07Å; L394-I413 HydrophobicContact CD2-CG2 4.43Å; L394-L426 HydrophobicContact CD1-CD2 3.98Å; L394-L426 HydrophobicContact CD2-CD1 4.4Å
395I98.7Very high95.2Very high0 Ų028.5 Ų28.50%019%0.189CC..Hα-helixtrans-54.7-49.7174.1-66.5169.3000110.7I29 L33 M114 I138 S140 V149 I391 G393 L397 E398 G399I29-I395 HydrophobicContact CG2-CD1 3.55Å; L33-I395 HydrophobicContact CD1-CB 4.08Å; L33-I395 HydrophobicContact CD1-CG2 3.61Å; L33-I395 HydrophobicContact CD2-CD1 4.29Å; L33-I395 HydrophobicContact CD2-CG2 4.09Å; M114-I395 HydrophobicContact CB-CG2 4.14Å; M114-I395 HydrophobicContact CG-CG2 3.75Å; M114-I395 HydrophobicContact SD-CG2 3.67Å; I138-I395 HydrophobicContact CB-CG2 4.35Å; I138-I395 HydrophobicContact CD1-CG2 4.24Å; I138-I395 WeakPolarHBondContact CD1-O 3.24Å; I138-I395 HydrophobicContact CG2-CB 4.33Å; I138-I395 HydrophobicContact CG2-CG1 4.17Å; I138-I395 HydrophobicContact CG2-CG2 3.95Å; S140-I395 VanDerWaalsContact OG-CD1 3.27Å; S140-I395 WeakPolarHBondContact OG-CD1 3.38Å; V149-I395 HydrophobicContact CG1-CG1 4.15Å; V149-I395 HydrophobicContact CG2-CG1 3.85Å; I391-I395 HydrophobicContact CG2-CD1 4.29Å; I391-I395 WeakPolarHBondContact O-CG1 3.48Å; I391-I395 PolarHBondContact O-N 3.29Å; G393-I395 PolarHBondContact O-N 3.17Å; I395-L397 VanDerWaalsContact C-N 3.34Å; I395-L397 PolarHBondContact O-N 3.17Å; I395-E398 PolarHBondContact O-N 3.4Å; I395-G399 PolarHBondContact O-N 2.87Å
396V98.2Very high95.9Very high7 Ų730.3 Ų30.34%0.04219%0.191CC..Hα-helixtrans-65.6-38.4-179.8177.60000111.4L33 N36 L37 T40 F42 A392 G393 L394 G399 L400L33-V396 HydrophobicContact CD1-CG2 3.55Å; N36-V396 HydrophobicContact CB-CG2 3.67Å; L37-V396 HydrophobicContact CD2-CG2 3.96Å; L37-V396 HydrophobicContact CG-CG2 4.26Å; T40-V396 HydrophobicContact CG2-CG1 4.12Å; F42-V396 HydrophobicContact CE2-CG1 4.27Å; A392-V396 PolarHBondContact O-N 3.18Å; G393-V396 PolarHBondContact O-N 3.35Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.16Å; V396-G399 PolarHBondContact O-N 3.45Å; V396-L400 HydrophobicContact CG1-CD1 4.47Å; V396-L400 HydrophobicContact CG1-CG 4.43Å; V396-L400 VanDerWaalsContact O-CG 3.32Å; V396-L400 WeakPolarHBondContact O-CG 3.27Å; V396-L400 PolarHBondContact O-N 3.05Å
397L97.5Very high95.9Very high97 Ų9727.7 Ų27.751%0.50817%0.174SC..Hα-helixtrans-62.4-42.7176.6-67.2174.5000112.3G393 L394 I395 L400 K401G393-L397 WeakPolarHBondContact O-CG 3.4Å; G393-L397 PolarHBondContact O-N 2.8Å; G393-L397 VanDerWaalsContact O-N 3.1Å; L394-L397 HydrophobicContact CD2-CD1 4.35Å; L394-L397 PolarHBondContact O-N 2.71Å; I395-L397 VanDerWaalsContact C-N 3.34Å; I395-L397 PolarHBondContact O-N 3.17Å; L397-L400 PolarHBondContact O-N 3.38Å; L397-K401 PolarHBondContact O-N 3.48Å
398E98.3Very high96.1Very high2 Ų235.8 Ų35.81%0.00921%0.211CC..Hα-helixtrans-66.5-39.8173.9-66.7-55.1125.400111.4I138 V149 V151 L394 I395 L400 K401 I402 C410 R411I138-E398 HydrophobicContact CD1-CB 4.15Å; V149-E398 HydrophobicContact CG1-CG 4.15Å; V151-E398 HydrophobicContact CG2-CB 4.01Å; V151-E398 HydrophobicContact CG2-CG 4.37Å; L394-E398 PolarHBondContact O-N 2.76Å; I395-E398 PolarHBondContact O-N 3.4Å; E398-L400 VanDerWaalsContact C-N 3.31Å; E398-L400 PolarHBondContact O-N 3.4Å; E398-K401 WeakPolarHBondContact O-CB 3.23Å; E398-K401 PolarHBondContact O-N 2.7Å; E398-K401 VanDerWaalsContact O-N 3.12Å; E398-K401 WeakPolarHBondContact OE1-CE 3.35Å; E398-K401 IonicContact OE1-NZ 3.43Å; E398-K401 PolarHBondContact OE1-NZ 3.39Å; E398-K401 IonicContact OE2-NZ 3.14Å; E398-K401 PolarHBondContact OE2-NZ 3.34Å; E398-I402 WeakPolarHBondContact O-CG1 3.26Å; E398-I402 PolarHBondContact O-N 2.87Å; E398-I402 VanDerWaalsContact O-N 3.07Å; E398-C410 WeakPolarHBondContact OE2-CA 3.44Å; E398-C410 VanDerWaalsContact OE2-CB 3.22Å; E398-C410 WeakPolarHBondContact OE2-CB 3.17Å; E398-C410 PolarHBondContact OE2-SG 2.91Å; E398-C410 VanDerWaalsContact OE2-SG 3.32Å; E398-R411 PolarHBondContact OE2-N 3.47Å
399G97.5Very high96.4Very high1 Ų137.4 Ų37.41%0.0122%0.222CC..Hα-helixtrans-58.8-39.2174.300000113.4I395 V396 K401 I402 L403I395-G399 PolarHBondContact O-N 2.87Å; V396-G399 PolarHBondContact O-N 3.45Å; G399-K401 VanDerWaalsContact C-N 3.33Å; G399-K401 PolarHBondContact O-N 2.8Å; G399-I402 PolarHBondContact O-N 3.24Å; G399-L403 WeakPolarHBondContact O-CG 3.45Å; G399-L403 PolarHBondContact O-N 3.46Å
400L96.4Very high96.4Very high24 Ų2435.8 Ų35.813%0.12621%0.209CC..Hα-helixtrans-64.8-35.6175.8-69.2174.4000112.5L8 L12 L16 T40 V396 L397 E398 S404L8-L400 HydrophobicContact CD1-CD2 4.4Å; L12-L400 HydrophobicContact CD1-CD2 4.24Å; L12-L400 HydrophobicContact CD2-CB 4.46Å; L12-L400 HydrophobicContact CD2-CD2 4.12Å; L12-L400 HydrophobicContact CG-CD2 4.35Å; L16-L400 HydrophobicContact CD1-CD2 3.96Å; L16-L400 HydrophobicContact CD2-CD2 3.86Å; L16-L400 HydrophobicContact CG-CD2 4.34Å; T40-L400 HydrophobicContact CG2-CD1 4.29Å; T40-L400 HydrophobicContact CG2-CD2 4.06Å; V396-L400 HydrophobicContact CG1-CD1 4.47Å; V396-L400 HydrophobicContact CG1-CG 4.43Å; V396-L400 VanDerWaalsContact O-CG 3.32Å; V396-L400 WeakPolarHBondContact O-CG 3.27Å; V396-L400 PolarHBondContact O-N 3.05Å; L397-L400 PolarHBondContact O-N 3.38Å; E398-L400 VanDerWaalsContact C-N 3.31Å; E398-L400 PolarHBondContact O-N 3.4Å; L400-S404 WeakPolarHBondContact O-CB 3.16Å; L400-S404 PolarHBondContact O-N 3.35Å; L400-S404 PolarHBondContact O-OG 3.4Å
401K96.4Very high96.4Very high53 Ų5336.7 Ų36.723%0.2321%0.206CC..Hα-helixtrans-66.2-45174.6-64.3170.5-178.8179.70111.1L397 E398 G399 L403 S404 G405 E406 S409L397-K401 PolarHBondContact O-N 3.48Å; E398-K401 WeakPolarHBondContact O-CB 3.23Å; E398-K401 PolarHBondContact O-N 2.7Å; E398-K401 VanDerWaalsContact O-N 3.12Å; E398-K401 WeakPolarHBondContact OE1-CE 3.35Å; E398-K401 IonicContact OE1-NZ 3.43Å; E398-K401 PolarHBondContact OE1-NZ 3.39Å; E398-K401 IonicContact OE2-NZ 3.14Å; E398-K401 PolarHBondContact OE2-NZ 3.34Å; G399-K401 VanDerWaalsContact C-N 3.33Å; G399-K401 PolarHBondContact O-N 2.8Å; K401-L403 PolarHBondContact O-N 2.63Å; K401-S404 PolarHBondContact O-N 3.34Å; K401-S404 VanDerWaalsContact O-N 3.11Å; K401-G405 PolarHBondContact O-N 2.72Å; K401-E406 PolarHBondContact O-N 3Å; K401-S409 PolarHBondContact NZ-O 3.03Å
402I96.3Very high96.4Very high14 Ų1437.5 Ų37.57%0.07221%0.211CC..Hα-helixtrans-58.7-49177.6-64.8167.5000110.3L112 P136 I138 V151 E398 G399 S404 G405 L407L112-I402 HydrophobicContact CD1-CD1 3.79Å; L112-I402 HydrophobicContact CD1-CG2 4.38Å; P136-I402 HydrophobicContact CB-CD1 4.37Å; P136-I402 HydrophobicContact CB-CG2 4.05Å; P136-I402 HydrophobicContact CG-CG2 3.95Å; I138-I402 HydrophobicContact CD1-CD1 3.98Å; I138-I402 HydrophobicContact CG1-CD1 3.91Å; V151-I402 HydrophobicContact CG1-CD1 3.71Å; V151-I402 HydrophobicContact CG1-CG1 4.37Å; V151-I402 HydrophobicContact CG2-CD1 4.11Å; E398-I402 WeakPolarHBondContact O-CG1 3.26Å; E398-I402 PolarHBondContact O-N 2.87Å; E398-I402 VanDerWaalsContact O-N 3.07Å; G399-I402 PolarHBondContact O-N 3.24Å; I402-S404 PolarHBondContact O-N 3.44Å; I402-G405 PolarHBondContact O-N 2.86Å; I402-L407 HydrophobicContact CG1-CD2 3.89Å; I402-L407 HydrophobicContact CG1-CG 4.48Å; I402-L407 HydrophobicContact CG2-CD2 4.4Å
403L94.7Very high96.4Very high24 Ų2438.2 Ų38.213%0.12621%0.214CC..Hα-helixtrans-67.8-20.1178.6-67.1177.4000113.7L12 L16 C19 F42 M111 G399 K401 G405L12-L403 HydrophobicContact CD1-CB 3.82Å; L16-L403 HydrophobicContact CD2-CD1 3.72Å; C19-L403 HydrophobicContact CB-CD2 4.44Å; F42-L403 HydrophobicContact CE1-CD1 3.64Å; F42-L403 HydrophobicContact CZ-CD1 3.74Å; M111-L403 HydrophobicContact CB-CD2 4.4Å; M111-L403 HydrophobicContact CE-CD2 4.1Å; G399-L403 WeakPolarHBondContact O-CG 3.45Å; G399-L403 PolarHBondContact O-N 3.46Å; K401-L403 PolarHBondContact O-N 2.63Å; L403-G405 VanDerWaalsContact C-N 3.27Å
404S93.9Very high96.4Very high42 Ų4238 Ų3829%0.29421%0.207SC..THydrogen-bonded Turntrans-84.3-0.8172.7-56.40000112.9L400 K401 I402 E406L400-S404 WeakPolarHBondContact O-CB 3.16Å; L400-S404 PolarHBondContact O-N 3.35Å; L400-S404 PolarHBondContact O-OG 3.4Å; K401-S404 PolarHBondContact O-N 3.34Å; K401-S404 VanDerWaalsContact O-N 3.11Å; I402-S404 PolarHBondContact O-N 3.44Å; S404-E406 PolarHBondContact O-N 3.24Å
405G92.9Very high96.3Very high65 Ų6538 Ų3867%0.6721%0.207SC*.THydrogen-bonded Turntrans73.512.5-173.600000113.7K401 I402 L403 L407K401-G405 PolarHBondContact O-N 2.72Å; I402-G405 PolarHBondContact O-N 2.86Å; L403-G405 VanDerWaalsContact C-N 3.27Å; G405-L407 VanDerWaalsContact C-N 3.32Å; G405-L407 PolarHBondContact O-N 3.43Å
406E94.2Very high96Very high74 Ų7439 Ų3935%0.34621%0.212SC..  trans-96.242.2-175.8-60.6178.4-17300111.1R9 K401 S404 E408 S409R9-E406 IonicContact CZ-OE1 3.48Å; R9-E406 IonicContact NH1-OE1 3.38Å; R9-E406 PolarHBondContact NH1-OE1 3.31Å; R9-E406 IonicContact NH2-OE1 3.84Å; R9-E406 PolarHBondContact NH2-OE1 2.86Å; K401-E406 PolarHBondContact O-N 3Å; S404-E406 PolarHBondContact O-N 3.24Å; E406-E408 VanDerWaalsContact C-N 3.27Å; E406-E408 PolarHBondContact O-N 2.8Å; E406-S409 VanDerWaalsContact O-CB 3.31Å; E406-S409 WeakPolarHBondContact O-CB 3.33Å; E406-S409 PolarHBondContact O-N 3.22Å; E406-S409 PolarHBondContact O-OG 3.36Å
407L93.3Very high95.7Very high38 Ų3845.7 Ų45.720%0.19924%0.241CC..G310 helixtrans-55.1-36.5-177.3-94.1160.5000113.3V151 K153 M156 I402 G405 S409 C410V151-L407 HydrophobicContact CG1-CD2 4.32Å; K153-L407 HydrophobicContact CB-CD2 4.49Å; M156-L407 HydrophobicContact CE-CB 3.97Å; M156-L407 HydrophobicContact CE-CD2 4.2Å; M156-L407 HydrophobicContact SD-CB 4.05Å; I402-L407 HydrophobicContact CG1-CD2 3.89Å; I402-L407 HydrophobicContact CG1-CG 4.48Å; I402-L407 HydrophobicContact CG2-CD2 4.4Å; G405-L407 VanDerWaalsContact C-N 3.32Å; G405-L407 PolarHBondContact O-N 3.43Å; L407-S409 PolarHBondContact O-N 3.09Å; L407-C410 VanDerWaalsContact O-CB 3.25Å; L407-C410 WeakPolarHBondContact O-CB 3.47Å; L407-C410 PolarHBondContact O-N 2.81Å; L407-C410 VanDerWaalsContact O-N 3.1Å
408E92.7Very high95.4Very high174 Ų17445 Ų4581%0.81324%0.243SC*.G310 helixtrans-67.1-18.1177.1-60.8-178.2171.200113.4E406 C410 R411E406-E408 VanDerWaalsContact C-N 3.27Å; E406-E408 PolarHBondContact O-N 2.8Å; E408-C410 VanDerWaalsContact C-N 3.34Å; E408-R411 PolarHBondContact O-NH1 3.31Å
409S95.8Very high95.2Very high37 Ų3748.8 Ų48.826%0.25927%0.268SS..G310 helixtrans-86-7.8175.8810000113.1K401 E406 L407 R411K401-S409 PolarHBondContact NZ-O 3.03Å; E406-S409 VanDerWaalsContact O-CB 3.31Å; E406-S409 WeakPolarHBondContact O-CB 3.33Å; E406-S409 PolarHBondContact O-N 3.22Å; E406-S409 PolarHBondContact O-OG 3.36Å; L407-S409 PolarHBondContact O-N 3.09Å; S409-R411 VanDerWaalsContact C-NH1 3.31Å; S409-R411 PolarHBondContact O-NH1 3.12Å
410C97.8Very high95Very high0 Ų050.5 Ų50.50%028%0.277CS..  trans-68.9150.9176.4-70.60000111.7V151 E398 L407 E408 L431V151-C410 HydrophobicContact CB-CB 4.23Å; V151-C410 HydrophobicContact CG2-CB 3.89Å; E398-C410 WeakPolarHBondContact OE2-CA 3.44Å; E398-C410 VanDerWaalsContact OE2-CB 3.22Å; E398-C410 WeakPolarHBondContact OE2-CB 3.17Å; E398-C410 PolarHBondContact OE2-SG 2.91Å; E398-C410 VanDerWaalsContact OE2-SG 3.32Å; L407-C410 VanDerWaalsContact O-CB 3.25Å; L407-C410 WeakPolarHBondContact O-CB 3.47Å; L407-C410 PolarHBondContact O-N 2.81Å; L407-C410 VanDerWaalsContact O-N 3.1Å; E408-C410 VanDerWaalsContact C-N 3.34Å; C410-L431 HydrophobicContact CB-CD1 3.61Å
411R97.7Very high94.8Very high81 Ų8154.5 Ų54.531%0.30630%0.298SS..EExtended strand (participates in β ladder)trans-139.5151.4-173.5-63.3-65.2177.9-95.82.6110.2E398 E408 S409 I413 P428 C429E398-R411 PolarHBondContact OE2-N 3.47Å; E408-R411 PolarHBondContact O-NH1 3.31Å; S409-R411 VanDerWaalsContact C-NH1 3.31Å; S409-R411 PolarHBondContact O-NH1 3.12Å; R411-I413 HydrophobicContact CB-CG1 4.09Å; R411-P428 HydrophobicContact CB-CB 4.13Å; R411-P428 HydrophobicContact CG-CB 4.23Å; R411-C429 CarbonylContact C-O 3.6Å; R411-C429 VanDerWaalsContact CA-O 3.28Å; R411-C429 WeakPolarHBondContact CA-O 3.49Å; R411-C429 VanDerWaalsContact CB-O 3.24Å; R411-C429 WeakPolarHBondContact CB-O 3.48Å; R411-C429 WeakPolarHBondContact CD-O 3.03Å
412T98.1Very high94.7Very high16 Ų1661.9 Ų61.910%0.09832%0.324CS..EExtended strand (participates in β ladder)trans-78.1122.4158.3-54.50000107.4V149 T150 F414 P428 C429V149-T412 CarbonylContact O-C 3.54Å; V149-T412 VanDerWaalsContact O-CA 3.28Å; V149-T412 WeakPolarHBondContact O-CA 3.19Å; T150-T412 PolarHBondContact OG1-OG1 3.39Å; T412-F414 HydrophobicContact CG2-CD2 4.31Å; T412-F414 HydrophobicContact CG2-CE1 4.26Å; T412-F414 HydrophobicContact CG2-CE2 3.56Å; T412-F414 HydrophobicContact CG2-CZ 3.53Å; T412-P428 CarbonylContact O-C 3.59Å; T412-P428 WeakPolarHBondContact O-CA 3.39Å; T412-C429 PolarHBondContact N-O 3.35Å; T412-C429 PolarHBondContact O-N 3.1Å
413I98.3Very high94.7Very high15 Ų1570.2 Ų70.28%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-115.8119.3-176.8-54.8176.1000108.5Q148 V149 L394 R411 L426 P428Q148-I413 CarbonylContact C-O 3.5Å; Q148-I413 WeakPolarHBondContact CA-O 3.29Å; V149-I413 PolarHBondContact N-O 3.04Å; V149-I413 PolarHBondContact O-N 3.33Å; L394-I413 HydrophobicContact CD1-CB 4.43Å; L394-I413 HydrophobicContact CD1-CG2 3.89Å; L394-I413 HydrophobicContact CD2-CD1 4.07Å; L394-I413 HydrophobicContact CD2-CG2 4.43Å; R411-I413 HydrophobicContact CB-CG1 4.09Å; I413-L426 HydrophobicContact CG2-CB 4.33Å; I413-L426 HydrophobicContact CG2-CD2 4.32Å; I413-P428 HydrophobicContact CG1-CB 4.33Å
414F97.6Very high94.7Very high18 Ų1873.6 Ų73.68%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-96.2135.7173.4-60.4-83.4000110.8Q148 T412 L426 V427 C429 M588 V590Q148-F414 HydrophobicContact CB-CD1 3.84Å; Q148-F414 HydrophobicContact CB-CE1 4.07Å; T412-F414 HydrophobicContact CG2-CD2 4.31Å; T412-F414 HydrophobicContact CG2-CE1 4.26Å; T412-F414 HydrophobicContact CG2-CE2 3.56Å; T412-F414 HydrophobicContact CG2-CZ 3.53Å; F414-L426 CarbonylContact O-C 3.57Å; F414-L426 VanDerWaalsContact O-CA 3.31Å; F414-L426 WeakPolarHBondContact O-CA 3.35Å; F414-V427 HydrophobicContact CB-CB 4.34Å; F414-V427 PolarHBondContact N-O 2.82Å; F414-V427 PolarHBondContact O-N 3.28Å; F414-C429 HydrophobicContact CE2-CB 4.32Å; F414-M588 WeakPolarHBondContact CD1-O 3.23Å; F414-M588 HydrophobicContact CE1-CB 3.84Å; F414-M588 HydrophobicContact CZ-CB 4.32Å; F414-V590 HydrophobicContact CD2-CG2 4.47Å
415L96.1Very high94.8Very high16 Ų1675.2 Ų75.28%0.08438%0.379CS..EExtended strand (participates in β ladder)trans-101.1113168.9170.963.6000108.1L146 G147 T387 V390 I391 L425 L426L146-L415 WeakPolarHBondContact CA-O 3.42Å; G147-L415 PolarHBondContact N-O 3.48Å; G147-L415 PolarHBondContact O-N 3.16Å; T387-L415 HydrophobicContact CG2-CD2 3.75Å; V390-L415 HydrophobicContact CB-CD2 4.21Å; V390-L415 HydrophobicContact CG1-CD1 4.4Å; V390-L415 HydrophobicContact CG1-CD2 3.92Å; I391-L415 HydrophobicContact CD1-CB 4.1Å; I391-L415 HydrophobicContact CD1-CD2 4.23Å; L415-L425 HydrophobicContact CD1-CG 4.29Å; L415-L426 HydrophobicContact CB-CD2 3.95Å; L415-L426 HydrophobicContact CD1-CD2 3.7Å; L415-L426 HydrophobicContact CG-CD2 4.41Å
416N93.4Very high95Very high21 Ų2175.5 Ų75.511%0.11237%0.365CS..  trans-92.7157.8177.4-67.9-5.7000111.1C418 L425N416-C418 VanDerWaalsContact CB-O 3.22Å; N416-C418 WeakPolarHBondContact CB-O 3.35Å; N416-L425 PolarHBondContact N-O 3.42Å; N416-L425 WeakPolarHBondContact O-CD1 3.38Å
417K90.1Very high95.2Very high147 Ų14772.7 Ų72.764%0.63935%0.353SS*.SBendtrans-68.7-38.3173-176.7178.9179.1-176.90112.1Y145 L146Y145-K417 HydrophobicContact CD2-CD 4.16Å; Y145-K417 HydrophobicContact CD2-CG 4.23Å; Y145-K417 HydrophobicContact CG-CG 4.22Å; L146-K417 HydrophobicContact CD2-CB 4.09Å
418C91.7Very high95.3Very high83 Ų8373.9 Ų73.956%0.56136%0.363SS*.SBendtrans-126.7153.5177.9-64.80000109.6N416 N420N416-C418 VanDerWaalsContact CB-O 3.22Å; N416-C418 WeakPolarHBondContact CB-O 3.35Å; C418-N420 PolarHBondContact O-N 2.96Å
419P94.9Very high95.5Very high82 Ų8267.8 Ų67.853%0.53234%0.339SS..  trans-58.7138.1171.6-20.132.1000110.9K424 L425P419-K424 WeakPolarHBondContact CA-O 3.49Å; P419-L425 HydrophobicContact CG-CD1 4.48Å
420N91.9Very high95.5Very high36 Ų3672.2 Ų72.219%0.19336%0.358CS..  trans-68.9178.2172.468.611000111.9C418 R422 K423 K424C418-N420 PolarHBondContact O-N 2.96Å; N420-R422 PolarHBondContact O-N 3.27Å; N420-R422 WeakPolarHBondContact OD1-CA 3.23Å; N420-R422 WeakPolarHBondContact OD1-CB 3.42Å; N420-R422 PolarHBondContact OD1-N 3.39Å; N420-K423 WeakPolarHBondContact O-CA 3.28Å; N420-K423 PolarHBondContact O-N 3.48Å; N420-K423 PolarHBondContact OD1-N 3.35Å; N420-K424 PolarHBondContact N-O 3.46Å; N420-K424 WeakPolarHBondContact OD1-CB 3.25Å; N420-K424 PolarHBondContact OD1-N 2.88Å; N420-K424 PolarHBondContact OD1-O 3.29Å
421L93.1Very high95.5Very high109 Ų10973.4 Ų73.457%0.57136%0.364SS*.THydrogen-bonded Turntrans-53.4-26.4176.7-64.9176.7000113.9K423L421-K423 VanDerWaalsContact C-N 3.27Å; L421-K423 PolarHBondContact O-N 3.09Å
422R95.1Very high95.4Very high208 Ų20873.8 Ų73.879%0.78537%0.372SS*.THydrogen-bonded Turntrans-88.513.5175.7-58.8-174.5-176.3-179.32.6113.3N420 K424N420-R422 PolarHBondContact O-N 3.27Å; N420-R422 WeakPolarHBondContact OD1-CA 3.23Å; N420-R422 WeakPolarHBondContact OD1-CB 3.42Å; N420-R422 PolarHBondContact OD1-N 3.39Å; R422-K424 PolarHBondContact O-N 3.11Å
423K95.6Very high95.3Very high188 Ų18881.4 Ų81.482%0.81740%0.404SS*.SBendtrans59.627.3-179.4-54.4177.4-178.5177.50113.8N420 L421N420-K423 WeakPolarHBondContact O-CA 3.28Å; N420-K423 PolarHBondContact O-N 3.48Å; N420-K423 PolarHBondContact OD1-N 3.35Å; L421-K423 VanDerWaalsContact C-N 3.27Å; L421-K423 PolarHBondContact O-N 3.09Å
424K94.3Very high95.1Very high95 Ų9582.9 Ų82.941%0.41341%0.414SS..  trans-100.1122.3177-65.4-172.2178.5-1750110.3P419 N420 R422 V427P419-K424 WeakPolarHBondContact CA-O 3.49Å; N420-K424 PolarHBondContact N-O 3.46Å; N420-K424 WeakPolarHBondContact OD1-CB 3.25Å; N420-K424 PolarHBondContact OD1-N 2.88Å; N420-K424 PolarHBondContact OD1-O 3.29Å; R422-K424 PolarHBondContact O-N 3.11Å; K424-V427 HydrophobicContact CB-CG2 4.07Å
425L95.7Very high94.8Very high77 Ų7783.7 Ų83.740%0.40342%0.423SS..SBendtrans-85.3-42.9169.8-17170.1000111.2L415 N416 P419L415-L425 HydrophobicContact CD1-CG 4.29Å; N416-L425 PolarHBondContact N-O 3.42Å; N416-L425 WeakPolarHBondContact O-CD1 3.38Å; P419-L425 HydrophobicContact CG-CD1 4.48Å
426L97.8Very high94.5Very high71 Ų7188.2 Ų88.237%0.37245%0.453SS..EExtended strand (participates in β ladder)trans-95.9118.4167.8-66.7175.8000108.7V390 L394 I413 F414 L415 P428V390-L426 HydrophobicContact CG1-CD2 4.3Å; L394-L426 HydrophobicContact CD1-CD2 3.98Å; L394-L426 HydrophobicContact CD2-CD1 4.4Å; I413-L426 HydrophobicContact CG2-CB 4.33Å; I413-L426 HydrophobicContact CG2-CD2 4.32Å; F414-L426 CarbonylContact O-C 3.57Å; F414-L426 VanDerWaalsContact O-CA 3.31Å; F414-L426 WeakPolarHBondContact O-CA 3.35Å; L415-L426 HydrophobicContact CB-CD2 3.95Å; L415-L426 HydrophobicContact CD1-CD2 3.7Å; L415-L426 HydrophobicContact CG-CD2 4.41Å; L426-P428 VanDerWaalsContact O-CD 3.25Å; L426-P428 WeakPolarHBondContact O-CD 3.42Å
427V97.7Very high94.4Very high15 Ų1594 Ų949%0.09148%0.484CS..EExtended strand (participates in β ladder)trans-110.997.3-174.9-172.50000109F414 K424F414-V427 HydrophobicContact CB-CB 4.34Å; F414-V427 PolarHBondContact N-O 2.82Å; F414-V427 PolarHBondContact O-N 3.28Å; K424-V427 HydrophobicContact CB-CG2 4.07Å
428P96.9Very high94.4Very high63 Ų6387.2 Ų87.241%0.40946%0.455SS..EExtended strand (participates in β ladder)trans-78.7129.6173.230.7-33.3000110.8R411 T412 I413 L426R411-P428 HydrophobicContact CB-CB 4.13Å; R411-P428 HydrophobicContact CG-CB 4.23Å; T412-P428 CarbonylContact O-C 3.59Å; T412-P428 WeakPolarHBondContact O-CA 3.39Å; I413-P428 HydrophobicContact CG1-CB 4.33Å; L426-P428 VanDerWaalsContact O-CD 3.25Å; L426-P428 WeakPolarHBondContact O-CD 3.42Å
429C96.1Very high94.4Very high46 Ų4684.7 Ų84.731%0.31143%0.434SS..EExtended strand (participates in β ladder)trans-116.7150.7175.9-63.60000109.6R411 T412 F414R411-C429 CarbonylContact C-O 3.6Å; R411-C429 VanDerWaalsContact CA-O 3.28Å; R411-C429 WeakPolarHBondContact CA-O 3.49Å; R411-C429 VanDerWaalsContact CB-O 3.24Å; R411-C429 WeakPolarHBondContact CB-O 3.48Å; R411-C429 WeakPolarHBondContact CD-O 3.03Å; T412-C429 PolarHBondContact N-O 3.35Å; T412-C429 PolarHBondContact O-N 3.1Å; F414-C429 HydrophobicContact CE2-CB 4.32Å
430I96.6Very high94.3Very high129 Ų12981.4 Ų81.466%0.66241%0.412SS*.EExtended strand (participates in β ladder)trans-66.8145.9174.7-60.1171.9000107.9D432I430-D432 PolarHBondContact O-N 2.94Å
431L96.5Very high94.3Very high25 Ų2581.4 Ų81.413%0.13142%0.415CS..PPolyproline II helixtrans-68.9129.1175.5-63.2168.9000109.7V151 M156 T157 C410V151-L431 HydrophobicContact CB-CD1 4.17Å; V151-L431 HydrophobicContact CB-CD2 4.34Å; M156-L431 HydrophobicContact CE-CD1 4.35Å; T157-L431 HydrophobicContact CG2-CB 3.99Å; T157-L431 HydrophobicContact CG2-CD1 3.87Å; T157-L431 HydrophobicContact CG2-CG 4.44Å; C410-L431 HydrophobicContact CB-CD1 3.61Å
432D95.2Very high94.3Very high89 Ų8977.1 Ų77.148%0.47640%0.395SS..PPolyproline II helixtrans-72.6152.1175.9-69.1-48.9000111.3T157 E158 I430T157-D432 CarbonylContact C-O 3.19Å; T157-D432 WeakPolarHBondContact CA-O 3.42Å; E158-D432 HydrophobicContact CG-CB 4.09Å; E158-D432 PolarHBondContact N-O 2.84Å; I430-D432 PolarHBondContact O-N 2.94Å
433K96Very high93.9Very high177 Ų17773.3 Ų73.377%0.7740%0.4SS*.PPolyproline II helixtrans-79.4158.8179.7-71.9-175.6179.1-179.60111.1S435K433-S435 PolarHBondContact O-N 2.98Å
434P95.1Very high93.6Very high45 Ų4572.3 Ų72.329%0.29240%0.395SS..PPolyproline II helixtrans-53130.3174-18.325000111.9T157T157-P434 VanDerWaalsContact O-CG 3.3Å; T157-P434 WeakPolarHBondContact O-CG 2.97Å
435S91.9Very high93.4Very high36 Ų3668.6 Ų68.625%0.25238%0.381SS..PPolyproline II helixtrans-70129.5173.8173.10000109.9K433 N437 C438K433-S435 PolarHBondContact O-N 2.98Å; S435-N437 PolarHBondContact O-N 3.21Å; S435-N437 PolarHBondContact OG-N 2.9Å; S435-C438 WeakPolarHBondContact O-CB 3.34Å; S435-C438 PolarHBondContact O-N 3.3Å
436P89.8Confident93.3Very high110 Ų11069.1 Ų69.171%0.71438%0.381SS*.THydrogen-bonded Turntrans-66.6-20.8176.728.4-34.7000112.6
437N89.8Confident93.1Very high144 Ų14466.3 Ų66.377%0.7737%0.367SS*.THydrogen-bonded Turntrans-98.15.5-179.1-61.5-18.4000112.5S435 Y439S435-N437 PolarHBondContact O-N 3.21Å; S435-N437 PolarHBondContact OG-N 2.9Å; N437-Y439 PolarHBondContact O-N 2.71Å
438C91.4Very high92.9Very high4 Ų467.6 Ų67.63%0.02738%0.375CS..  trans-67.3125.5178.9179.40000110.3C159 C162 S435 V440 C441 A442C159-C438 VanDerWaalsContact SG-SG 3.63Å; C162-C438 VanDerWaalsContact SG-SG 3.69Å; S435-C438 WeakPolarHBondContact O-CB 3.34Å; S435-C438 PolarHBondContact O-N 3.3Å; C438-V440 PolarHBondContact O-N 2.85Å; C438-V440 VanDerWaalsContact O-N 3.09Å; C438-V440 PolarHBondContact SG-N 3.01Å; C438-C441 PolarHBondContact SG-N 2.9Å; C438-C441 VanDerWaalsContact SG-N 3.43Å; C438-A442 WeakPolarHBondContact O-CB 3.38Å; C438-A442 PolarHBondContact O-N 3.46Å
439Y91.3Very high92.8Very high30 Ų3064.8 Ų64.812%0.11836%0.357CS..THydrogen-bonded Turntrans-72.74.5176.867.6-98000114E161 N437 P445 V447 R469 F470 Y523E161-Y439 PolarHBondContact OE1-OH 2.9Å; N437-Y439 PolarHBondContact O-N 2.71Å; Y439-P445 VanDerWaalsContact C-CB 3.47Å; Y439-P445 WeakPolarHBondContact O-CB 3.45Å; Y439-V447 HydrophobicContact CD1-CG1 4.47Å; Y439-V447 HydrophobicContact CG-CG1 3.93Å; Y439-R469 PolarHBondContact OH-NH2 3.04Å; Y439-F470 HydrophobicContact CD2-CD1 4.22Å; Y439-F470 HydrophobicContact CE2-CD1 4.22Å; Y439-Y523 WeakPolarHBondContact O-CE2 3.26Å; Y439-Y523 PolarHBondContact O-OH 3.42Å
440V92.6Very high92.7Very high13 Ų1365.1 Ų65.18%0.07935%0.353CS..THydrogen-bonded Turntrans-118.3-61.2179.3-177.10000112.1R128 L131 E161 C438R128-V440 HydrophobicContact CG-CG1 3.8Å; L131-V440 HydrophobicContact CD1-CG1 3.98Å; E161-V440 HydrophobicContact CB-CB 4.38Å; E161-V440 HydrophobicContact CB-CG2 3.8Å; E161-V440 HydrophobicContact CG-CG2 4.34Å; C438-V440 PolarHBondContact O-N 2.85Å; C438-V440 VanDerWaalsContact O-N 3.09Å; C438-V440 PolarHBondContact SG-N 3.01Å
441C92.8Very high92.6Very high36 Ų3659.2 Ų59.224%0.24332%0.323CS..THydrogen-bonded Turntrans-96.90.8-170.874.50000114.7L131 C159 C162 C438L131-C441 HydrophobicContact CD1-CB 3.89Å; L131-C441 HydrophobicContact CD2-CB 4.4Å; C159-C441 HydrophobicContact CB-CB 3.91Å; C159-C441 VanDerWaalsContact SG-SG 3.64Å; C162-C441 PolarHBondContact SG-SG 2.86Å; C438-C441 PolarHBondContact SG-N 2.9Å; C438-C441 VanDerWaalsContact SG-N 3.43Å
442A92.1Very high92.5Very high19 Ų1958.5 Ų58.516%0.15732%0.319CS..SBendtrans-65.8156.3172.700000110.8C438 K444 P445C438-A442 WeakPolarHBondContact O-CB 3.38Å; C438-A442 PolarHBondContact O-N 3.46Å; A442-K444 PolarHBondContact O-N 3.39Å; A442-P445 WeakPolarHBondContact O-CD 3.39Å; A442-P445 WeakPolarHBondContact O-CG 3.23Å
443S87.6Confident92.4Very high127 Ų12754.6 Ų54.689%0.88830%0.299SS*.SBendtrans-62.9-26.6-179.463.30000114.2
444K87.8Confident92.2Very high167 Ų16751.2 Ų51.273%0.72629%0.286SS*.SBendtrans-141.786175.2-68.3-174.4178.7-175.30107.5A442 E446A442-K444 PolarHBondContact O-N 3.39Å; K444-E446 PolarHBondContact O-N 3.15Å
445P91.3Very high92Very high18 Ų1856.3 Ų56.312%0.11730%0.303CS..  trans-67.6125.5-177.1-12.826.3000110.8Y439 A442 Y523 L525 L526Y439-P445 VanDerWaalsContact C-CB 3.47Å; Y439-P445 WeakPolarHBondContact O-CB 3.45Å; A442-P445 WeakPolarHBondContact O-CD 3.39Å; A442-P445 WeakPolarHBondContact O-CG 3.23Å; P445-Y523 HydrophobicContact CB-CE2 4.36Å; P445-Y523 HydrophobicContact CG-CE2 4.26Å; P445-L525 HydrophobicContact CB-CD1 4.1Å; P445-L526 PolarHBondContact O-N 3.41Å
446E92.4Very high92Very high87 Ų8755 Ų5541%0.40729%0.294SS..EExtended strand (participates in β ladder)trans-136.4136.2-178.7-173.9169.3136.300109.6K444 R513 L526 N528K444-E446 PolarHBondContact O-N 3.15Å; E446-R513 IonicContact OE1-NH1 2.72Å; E446-R513 PolarHBondContact OE1-NH1 3.09Å; E446-R513 IonicContact OE2-CZ 3.31Å; E446-R513 IonicContact OE2-NH1 2.77Å; E446-R513 PolarHBondContact OE2-NH1 3.24Å; E446-R513 IonicContact OE2-NH2 3.18Å; E446-R513 PolarHBondContact OE2-NH2 3.38Å; E446-L526 CarbonylContact C-O 3.57Å; E446-L526 VanDerWaalsContact CA-O 3.29Å; E446-L526 WeakPolarHBondContact CA-O 3.3Å; E446-L526 HydrophobicContact CB-CB 4.25Å; E446-L526 HydrophobicContact CG-CB 4.1Å; E446-N528 WeakPolarHBondContact CG-ND2 3.37Å; E446-N528 PolarHBondContact OE1-ND2 3.48Å
447V93.4Very high92.2Very high12 Ų1251.4 Ų51.47%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-131.1156.7177.4-68.80000110.2Y439 V449 F470 L525 L526 I527 N528Y439-V447 HydrophobicContact CD1-CG1 4.47Å; Y439-V447 HydrophobicContact CG-CG1 3.93Å; V447-V449 HydrophobicContact CG2-CG2 4.37Å; V447-F470 HydrophobicContact CB-CE1 4.4Å; V447-F470 HydrophobicContact CB-CZ 4.21Å; V447-F470 HydrophobicContact CG1-CE1 4.07Å; V447-F470 HydrophobicContact CG1-CZ 4.38Å; V447-F470 HydrophobicContact CG2-CE1 4.11Å; V447-F470 HydrophobicContact CG2-CE2 4.29Å; V447-F470 HydrophobicContact CG2-CZ 3.69Å; V447-L525 HydrophobicContact CB-CD1 4.48Å; V447-L525 HydrophobicContact CG1-CD1 4.01Å; V447-L525 HydrophobicContact CG2-CD1 3.85Å; V447-L525 HydrophobicContact CG2-CD2 3.91Å; V447-L525 HydrophobicContact CG2-CG 3.98Å; V447-L526 PolarHBondContact N-O 3.18Å; V447-I527 HydrophobicContact CG2-CB 4.35Å; V447-I527 HydrophobicContact CG2-CG1 3.88Å; V447-I527 HydrophobicContact CG2-CG2 4.41Å; V447-N528 PolarHBondContact O-N 3.48Å; V447-N528 PolarHBondContact O-ND2 3.42Å
448T94.3Very high92.4Very high42 Ų4244.6 Ų44.626%0.25823%0.233SC..EExtended strand (participates in β ladder)trans-117.1124.8171.2-570000109N528 L530 V544T448-N528 CarbonylContact C-O 3.43Å; T448-N528 WeakPolarHBondContact CA-O 3.38Å; T448-N528 HydrophobicContact CG2-CB 4.16Å; T448-N528 PolarHBondContact OG1-ND2 2.78Å; T448-L530 HydrophobicContact CG2-CB 4.01Å; T448-L530 HydrophobicContact CG2-CD1 4.47Å; T448-V544 HydrophobicContact CG2-CB 4.27Å; T448-V544 HydrophobicContact CG2-CG2 3.84Å; T448-V544 PolarHBondContact O-N 3.29Å
449V94.6Very high92.4Very high4 Ų447.3 Ų47.32%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-114.9122.4-179.5-170.40000108.5V447 V451 I465 F470 I527 N528 L530 F541 E542V447-V449 HydrophobicContact CG2-CG2 4.37Å; V449-V451 HydrophobicContact CB-CG1 4.41Å; V449-V451 HydrophobicContact CG1-CG1 3.55Å; V449-I465 HydrophobicContact CG1-CD1 4.5Å; V449-I465 HydrophobicContact CG1-CG2 4.49Å; V449-F470 HydrophobicContact CG2-CE2 3.88Å; V449-F470 HydrophobicContact CG2-CZ 3.86Å; V449-I527 HydrophobicContact CB-CG2 4.26Å; V449-I527 HydrophobicContact CG2-CG2 3.73Å; V449-N528 PolarHBondContact N-O 3.47Å; V449-L530 PolarHBondContact O-N 3.02Å; V449-F541 HydrophobicContact CG1-CB 4Å; V449-F541 HydrophobicContact CG1-CD2 4.12Å; V449-F541 HydrophobicContact CG1-CG 4.42Å; V449-E542 CarbonylContact C-O 3.55Å; V449-E542 WeakPolarHBondContact CA-O 3.28Å
450K94.3Very high92.5Very high53 Ų5346.7 Ų46.723%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-89.4116.7176.9175.8174.4165.5-145.20108.9L530 T532 L535 F541 E542 V544K450-L530 CarbonylContact C-O 3.55Å; K450-L530 VanDerWaalsContact CA-O 3.25Å; K450-L530 WeakPolarHBondContact CA-O 3.46Å; K450-L530 HydrophobicContact CB-CB 4.38Å; K450-L530 HydrophobicContact CB-CD2 4Å; K450-L530 HydrophobicContact CD-CD2 3.9Å; K450-L530 HydrophobicContact CG-CD2 3.64Å; K450-T532 HydrophobicContact CD-CG2 4.12Å; K450-T532 HydrophobicContact CG-CG2 3.44Å; K450-T532 VanDerWaalsContact CG-CG2 3.44Å; K450-L535 HydrophobicContact CG-CD2 4.21Å; K450-F541 CarbonylContact O-C 3.54Å; K450-F541 VanDerWaalsContact O-CA 3.26Å; K450-F541 WeakPolarHBondContact O-CA 3.49Å; K450-E542 HydrophobicContact CB-CB 4.24Å; K450-E542 WeakPolarHBondContact CD-OE2 3.1Å; K450-E542 PolarHBondContact N-O 3.26Å; K450-E542 IonicContact NZ-OE1 3.85Å; K450-E542 IonicContact NZ-OE2 2.84Å; K450-E542 PolarHBondContact NZ-OE2 3.07Å; K450-E542 PolarHBondContact O-N 2.84Å; K450-V544 HydrophobicContact CB-CG2 4.43Å
451V94.4Very high92.6Very high5 Ų546.3 Ų46.33%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-143.4159.5-173.7-53.10000112.1V449 V453 I465 L503 V529 L530 H531 T532 F541V449-V451 HydrophobicContact CB-CG1 4.41Å; V449-V451 HydrophobicContact CG1-CG1 3.55Å; V451-V453 HydrophobicContact CG2-CG1 3.85Å; V451-V453 PolarHBondContact O-N 3.3Å; V451-I465 HydrophobicContact CG1-CD1 4.13Å; V451-L503 HydrophobicContact CG2-CD1 4.46Å; V451-V529 HydrophobicContact CG2-CG1 3.85Å; V451-L530 PolarHBondContact N-O 3.34Å; V451-H531 WeakPolarHBondContact O-CA 3.29Å; V451-H531 PolarHBondContact O-ND1 3.39Å; V451-T532 PolarHBondContact O-N 3.31Å; V451-F541 HydrophobicContact CG1-CB 3.63Å
452N93.9Very high92.6Very high11 Ų1145.9 Ų45.96%0.05924%0.239CC..  trans-92.494.9166.4-170.5-30.5000110.7Q454 K455 T456 T532N452-Q454 PolarHBondContact O-N 2.98Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.33Å; N452-Q454 PolarHBondContact OD1-N 3.21Å; N452-Q454 VanDerWaalsContact OD1-N 3.08Å; N452-K455 HydrophobicContact CB-CB 4.27Å; N452-K455 PolarHBondContact O-N 3.18Å; N452-K455 PolarHBondContact OD1-N 3.18Å; N452-T456 WeakPolarHBondContact O-CB 3.41Å; N452-T456 PolarHBondContact O-N 3.45Å; N452-T456 PolarHBondContact O-OG1 3.36Å; N452-T532 VanDerWaalsContact CA-O 3.29Å; N452-T532 WeakPolarHBondContact CA-O 3.33Å; N452-T532 VanDerWaalsContact CB-O 3.28Å; N452-T532 WeakPolarHBondContact CB-O 3.33Å
453V94.1Very high92.4Very high6 Ų647.9 Ų47.94%0.03625%0.247CC..THydrogen-bonded Turntrans-60.2-15.9-176.8-56.50000114.9V451 L503 S504 I508 V529 H531V451-V453 HydrophobicContact CG2-CG1 3.85Å; V451-V453 PolarHBondContact O-N 3.3Å; V453-L503 HydrophobicContact CB-CB 4.2Å; V453-S504 WeakPolarHBondContact O-CB 3.45Å; V453-S504 PolarHBondContact O-N 3.36Å; V453-S504 PolarHBondContact O-OG 3.2Å; V453-I508 HydrophobicContact CG1-CG2 4.28Å; V453-V529 HydrophobicContact CG1-CG1 3.66Å; V453-H531 HydrophobicContact CG1-CB 4.4Å; V453-H531 HydrophobicContact CG2-CB 4.48Å; V453-H531 PolarHBondContact N-ND1 3.03Å
454Q91.9Very high92.5Very high106 Ų10644.3 Ų44.350%0.49522%0.216SC..THydrogen-bonded Turntrans-87.4-18.1176.9-57.3175.74.400112.6N452 F502N452-Q454 PolarHBondContact O-N 2.98Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.33Å; N452-Q454 PolarHBondContact OD1-N 3.21Å; N452-Q454 VanDerWaalsContact OD1-N 3.08Å; Q454-F502 VanDerWaalsContact O-CD1 3.28Å; Q454-F502 WeakPolarHBondContact O-CD1 3.46Å
455K89.8Confident92.7Very high153 Ų15336.5 Ų36.567%0.66518%0.182SC*.THydrogen-bonded Turntrans-112-30.6-179.4-65.9-175.8179.8176.70112.9N452 F502N452-K455 HydrophobicContact CB-CB 4.27Å; N452-K455 PolarHBondContact O-N 3.18Å; N452-K455 PolarHBondContact OD1-N 3.18Å; K455-F502 WeakPolarHBondContact O-CE1 3.39Å
456T91.8Very high92.7Very high8 Ų835.6 Ų35.65%0.04918%0.176CC..  trans-73.3127.2179.1-53.70000110.2N452 C460 F502 L503N452-T456 WeakPolarHBondContact O-CB 3.41Å; N452-T456 PolarHBondContact O-N 3.45Å; N452-T456 PolarHBondContact O-OG1 3.36Å; T456-C460 HydrophobicContact CG2-CB 4.15Å; T456-F502 WeakPolarHBondContact O-CA 3.35Å; T456-L503 HydrophobicContact CG2-CD1 3.74Å; T456-L503 HydrophobicContact CG2-CG 4.23Å; T456-L503 PolarHBondContact O-N 2.93Å
457T94.6Very high92.6Very high35 Ų3534.8 Ų34.822%0.21517%0.171CC..BIsolated β-bridgetrans-90.4165175.862.40000111.6L459 C460 L461 N499 K501 F502T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.21Å; T457-C460 PolarHBondContact O-N 3.42Å; T457-C460 PolarHBondContact OG1-N 2.91Å; T457-L461 PolarHBondContact O-N 3.07Å; T457-L461 VanDerWaalsContact O-N 3.11Å; T457-N499 WeakPolarHBondContact CB-O 3.23Å; T457-K501 VanDerWaalsContact CA-O 3.3Å; T457-K501 WeakPolarHBondContact CA-O 3.07Å; T457-F502 HydrophobicContact CG2-CD1 4.09Å; T457-F502 HydrophobicContact CG2-CE1 4.05Å
458V94.4Very high92.2Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-61.5-37172.9179.20000111.4L461 Q462 L487 I488 N498 K501 L503 F506V458-L461 WeakPolarHBondContact O-CB 3.13Å; V458-L461 PolarHBondContact O-N 3.48Å; V458-Q462 PolarHBondContact O-N 3.45Å; V458-L487 HydrophobicContact CG1-CD1 4.4Å; V458-L487 HydrophobicContact CG1-CG 4.05Å; V458-L487 HydrophobicContact CG2-CD1 3.71Å; V458-L487 HydrophobicContact CG2-CG 4.18Å; V458-I488 HydrophobicContact CG1-CD1 4.03Å; V458-I488 HydrophobicContact CG1-CG1 3.54Å; V458-N498 WeakPolarHBondContact CB-O 3.49Å; V458-N498 HydrophobicContact CG1-CB 4.43Å; V458-N498 HydrophobicContact CG2-CB 4.4Å; V458-N498 WeakPolarHBondContact CG2-O 3.36Å; V458-K501 PolarHBondContact N-O 3.12Å; V458-K501 VanDerWaalsContact N-O 3.08Å; V458-L503 HydrophobicContact CG2-CD2 4.29Å; V458-F506 HydrophobicContact CG2-CD2 4.2Å; V458-F506 HydrophobicContact CG2-CE2 3.59Å; V458-F506 HydrophobicContact CG2-CZ 4.25Å
459L92.1Very high91.8Very high61 Ų6141 Ų4132%0.31920%0.195SC..Hα-helixtrans-63-43.2176.6-172.165.6000112.3T457 L461 Q462 D463 N499T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.21Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L459-L461 PolarHBondContact O-N 2.95Å; L459-Q462 PolarHBondContact O-N 3.26Å; L459-D463 VanDerWaalsContact CD1-OD2 3.22Å; L459-D463 WeakPolarHBondContact CD1-OD2 3.31Å; L459-D463 PolarHBondContact O-N 3.13Å; L459-N499 HydrophobicContact CB-CB 4.12Å; L459-N499 WeakPolarHBondContact CB-O 3.45Å; L459-N499 HydrophobicContact CD1-CB 4.38Å; L459-N499 PolarHBondContact N-O 2.68Å; L459-N499 VanDerWaalsContact N-O 3.11Å
460C91.6Very high91.5Very high17 Ų1740.9 Ų40.912%0.11519%0.194CC..Hα-helixtrans-62.3-41.8175.3170.50000111.3T456 T457 Q462 K464 I465 E540T456-C460 HydrophobicContact CG2-CB 4.15Å; T457-C460 PolarHBondContact O-N 3.42Å; T457-C460 PolarHBondContact OG1-N 2.91Å; C460-Q462 VanDerWaalsContact C-N 3.34Å; C460-Q462 PolarHBondContact O-N 3.27Å; C460-K464 WeakPolarHBondContact O-CB 3.11Å; C460-K464 PolarHBondContact O-N 2.87Å; C460-I465 PolarHBondContact O-N 2.96Å; C460-E540 PolarHBondContact SG-OE2 3.37Å
461L94.4Very high91Very high6 Ų639.4 Ų39.43%0.03119%0.194CC..Iπ-helixtrans-59.2-45.3172.917666.6000111.6T457 V458 L459 I465 L466 L487 I488 L503 L514T457-L461 PolarHBondContact O-N 3.07Å; T457-L461 VanDerWaalsContact O-N 3.11Å; V458-L461 WeakPolarHBondContact O-CB 3.13Å; V458-L461 PolarHBondContact O-N 3.48Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L459-L461 PolarHBondContact O-N 2.95Å; L461-I465 HydrophobicContact CD1-CB 4.12Å; L461-I465 HydrophobicContact CD1-CD1 4Å; L461-I465 HydrophobicContact CD1-CG2 4.14Å; L461-I465 WeakPolarHBondContact O-CB 3.25Å; L461-L466 HydrophobicContact CD1-CD1 4.45Å; L461-L466 HydrophobicContact CD1-CG 4.37Å; L461-L466 HydrophobicContact CG-CD1 4.14Å; L461-L466 HydrophobicContact CG-CG 4.5Å; L461-L466 VanDerWaalsContact O-CG 3.27Å; L461-L466 WeakPolarHBondContact O-CG 2.97Å; L461-L466 PolarHBondContact O-N 3.33Å; L461-L487 HydrophobicContact CD2-CD2 3.5Å; L461-L487 VanDerWaalsContact CD2-CD2 3.5Å; L461-I488 HydrophobicContact CD2-CD1 4.15Å; L461-I488 HydrophobicContact CG-CD1 4.23Å; L461-L503 HydrophobicContact CB-CD2 4.23Å; L461-L503 HydrophobicContact CD2-CD2 3.83Å; L461-L514 HydrophobicContact CD2-CD1 3.97Å
462Q93.1Very high90.7Very high26 Ų2639.4 Ų39.412%0.12119%0.194CC..Iπ-helixtrans-65.4-57.2-179.8-172.6178.74.800112.2V458 L459 C460 L466 K467 P475 I488V458-Q462 PolarHBondContact O-N 3.45Å; L459-Q462 PolarHBondContact O-N 3.26Å; C460-Q462 VanDerWaalsContact C-N 3.34Å; C460-Q462 PolarHBondContact O-N 3.27Å; Q462-L466 WeakPolarHBondContact O-CB 3.43Å; Q462-K467 WeakPolarHBondContact O-CG 3.46Å; Q462-K467 PolarHBondContact O-N 2.86Å; Q462-P475 HydrophobicContact CG-CG 4.3Å; Q462-I488 HydrophobicContact CB-CD1 3.72Å; Q462-I488 HydrophobicContact CB-CG1 4.43Å; Q462-I488 HydrophobicContact CG-CD1 4.29Å; Q462-I488 HydrophobicContact CG-CG2 4.04Å
463D89.4Confident90.3Very high61 Ų6141 Ų4133%0.32620%0.203SC..Iπ-helixtrans-85.2-46.8-166.3-67.6-23000112.2L459 K467 E468L459-D463 VanDerWaalsContact CD1-OD2 3.22Å; L459-D463 WeakPolarHBondContact CD1-OD2 3.31Å; L459-D463 PolarHBondContact O-N 3.13Å; D463-K467 WeakPolarHBondContact OD1-CD 3.35Å; D463-K467 IonicContact OD1-NZ 2.8Å; D463-K467 PolarHBondContact OD1-NZ 2.96Å; D463-E468 VanDerWaalsContact O-CB 3.24Å; D463-E468 WeakPolarHBondContact O-CB 3.49Å; D463-E468 PolarHBondContact O-N 3.26Å
464K88.4Confident90Very high53 Ų5341.8 Ų41.823%0.2321%0.211CC..Iπ-helixtrans-83.3-40.7-176.1-65-176.4170.3-167.70112.9D204 C460 E468 R469 E540 F541D204-K464 IonicContact OD1-NZ 3.43Å; D204-K464 IonicContact OD2-NZ 2.63Å; D204-K464 PolarHBondContact OD2-NZ 3.04Å; C460-K464 WeakPolarHBondContact O-CB 3.11Å; C460-K464 PolarHBondContact O-N 2.87Å; K464-E468 WeakPolarHBondContact O-CB 3.25Å; K464-R469 WeakPolarHBondContact O-CB 3.35Å; K464-R469 PolarHBondContact O-N 2.89Å; K464-R469 VanDerWaalsContact O-N 3.08Å; K464-E540 WeakPolarHBondContact CD-OE2 3.48Å; K464-E540 IonicContact NZ-OE1 2.79Å; K464-E540 PolarHBondContact NZ-OE1 3.41Å; K464-E540 IonicContact NZ-OE2 2.74Å; K464-E540 PolarHBondContact NZ-OE2 3.03Å; K464-E540 VanDerWaalsContact NZ-OE2 3.14Å; K464-F541 HydrophobicContact CB-CE1 4.27Å
465I92.4Very high90Very high2 Ų236.8 Ų36.81%0.0119%0.187CC..Iπ-helixtrans-86.2-55.5-176.7-56.6178.9000111.1V449 V451 C460 L461 R469 F470 F541V449-I465 HydrophobicContact CG1-CD1 4.5Å; V449-I465 HydrophobicContact CG1-CG2 4.49Å; V451-I465 HydrophobicContact CG1-CD1 4.13Å; C460-I465 PolarHBondContact O-N 2.96Å; L461-I465 HydrophobicContact CD1-CB 4.12Å; L461-I465 HydrophobicContact CD1-CD1 4Å; L461-I465 HydrophobicContact CD1-CG2 4.14Å; L461-I465 WeakPolarHBondContact O-CB 3.25Å; I465-R469 VanDerWaalsContact O-CB 3.28Å; I465-R469 WeakPolarHBondContact O-CB 3.46Å; I465-F470 HydrophobicContact CG2-CD2 3.89Å; I465-F470 HydrophobicContact CG2-CE2 3.66Å; I465-F470 WeakPolarHBondContact O-CD2 3.3Å; I465-F470 PolarHBondContact O-N 3.47Å; I465-F541 HydrophobicContact CD1-CB 4.09Å; I465-F541 HydrophobicContact CD1-CD1 4.05Å; I465-F541 HydrophobicContact CD1-CG 4.03Å; I465-F541 HydrophobicContact CG1-CB 4.45Å; I465-F541 HydrophobicContact CG1-CD1 3.56Å; I465-F541 HydrophobicContact CG1-CD2 4.28Å; I465-F541 HydrophobicContact CG1-CE1 3.77Å; I465-F541 HydrophobicContact CG1-CE2 4.49Å; I465-F541 HydrophobicContact CG1-CG 3.83Å; I465-F541 HydrophobicContact CG1-CZ 4.24Å
466L92.2Very high90.3Very high0 Ų030.9 Ų30.90%016%0.163CC..Iπ-helixtrans-80.8-50.4-172.2-63.5170.5000112.8L461 Q462 F470 G471 M472 P475 V477 I488 I527L461-L466 HydrophobicContact CD1-CD1 4.45Å; L461-L466 HydrophobicContact CD1-CG 4.37Å; L461-L466 HydrophobicContact CG-CD1 4.14Å; L461-L466 HydrophobicContact CG-CG 4.5Å; L461-L466 VanDerWaalsContact O-CG 3.27Å; L461-L466 WeakPolarHBondContact O-CG 2.97Å; L461-L466 PolarHBondContact O-N 3.33Å; Q462-L466 WeakPolarHBondContact O-CB 3.43Å; L466-F470 HydrophobicContact CD2-CD2 4.32Å; L466-F470 CarbonylContact O-C 3.56Å; L466-F470 WeakPolarHBondContact O-CA 3.27Å; L466-F470 WeakPolarHBondContact O-CB 3.34Å; L466-F470 PolarHBondContact O-N 2.98Å; L466-G471 PolarHBondContact O-N 2.98Å; L466-G471 VanDerWaalsContact O-N 3.11Å; L466-M472 HydrophobicContact CB-SD 4.3Å; L466-M472 HydrophobicContact CD2-SD 4.08Å; L466-M472 WeakPolarHBondContact O-CB 3.36Å; L466-M472 PolarHBondContact O-N 3.44Å; L466-P475 HydrophobicContact CB-CB 4.24Å; L466-P475 HydrophobicContact CB-CG 4.16Å; L466-P475 HydrophobicContact CD1-CB 4.08Å; L466-P475 HydrophobicContact CD1-CG 4.36Å; L466-V477 HydrophobicContact CD1-CG2 3.34Å; L466-I488 HydrophobicContact CD1-CD1 4.01Å; L466-I527 HydrophobicContact CD2-CD1 3.37Å
467K88.8Confident90.5Very high70 Ų7030.6 Ų30.630%0.30416%0.162SC..Iπ-helixtrans-76.9-54.6-178.4-65.9178.2-171.9157.70112.4Q462 D463 G471 M472 P475Q462-K467 WeakPolarHBondContact O-CG 3.46Å; Q462-K467 PolarHBondContact O-N 2.86Å; D463-K467 WeakPolarHBondContact OD1-CD 3.35Å; D463-K467 IonicContact OD1-NZ 2.8Å; D463-K467 PolarHBondContact OD1-NZ 2.96Å; K467-G471 WeakPolarHBondContact O-CA 3.15Å; K467-G471 PolarHBondContact O-N 2.85Å; K467-M472 WeakPolarHBondContact CA-O 3.37Å; K467-M472 WeakPolarHBondContact CG-O 3.33Å; K467-P475 HydrophobicContact CG-CG 4.25Å
468E85.5Confident90.5Very high152 Ų15232 Ų3271%0.7117%0.166SC*.Iπ-helixtrans-73-56.4-175.2-176.8-177.317900112.1D463 K464D463-E468 VanDerWaalsContact O-CB 3.24Å; D463-E468 WeakPolarHBondContact O-CB 3.49Å; D463-E468 PolarHBondContact O-N 3.26Å; K464-E468 WeakPolarHBondContact O-CB 3.25Å
469R86.5Confident90.6Very high33 Ų3332.5 Ų32.513%0.12517%0.168CC..Iπ-helixtrans-73.8-53.5-177.416768.8-101.1-77.415.3112.6Y439 K464 I465 F541 V543 E546Y439-R469 PolarHBondContact OH-NH2 3.04Å; K464-R469 WeakPolarHBondContact O-CB 3.35Å; K464-R469 PolarHBondContact O-N 2.89Å; K464-R469 VanDerWaalsContact O-N 3.08Å; I465-R469 VanDerWaalsContact O-CB 3.28Å; I465-R469 WeakPolarHBondContact O-CB 3.46Å; R469-F541 HydrophobicContact CB-CE2 3.99Å; R469-F541 HydrophobicContact CB-CZ 3.75Å; R469-F541 HydrophobicContact CG-CE2 3.71Å; R469-F541 HydrophobicContact CG-CZ 4.01Å; R469-V543 HydrophobicContact CG-CG2 4.29Å; R469-E546 IonicContact CZ-OE1 2.73Å; R469-E546 IonicContact CZ-OE2 2.73Å; R469-E546 IonicContact NH1-OE1 3.5Å; R469-E546 PolarHBondContact NH1-OE1 3.29Å; R469-E546 IonicContact NH1-OE2 2.67Å; R469-E546 PolarHBondContact NH1-OE2 3.39Å; R469-E546 IonicContact NH2-OE1 2.81Å; R469-E546 PolarHBondContact NH2-OE1 2.82Å; R469-E546 IonicContact NH2-OE2 3.59Å
470F88.8Confident90.5Very high0 Ų033.9 Ų33.90%017%0.173CC..THydrogen-bonded Turntrans-88.53.4-179.2-65.3-60.8000114R128 Y439 V447 V449 I465 L466 M472 L525 V543R128-F470 PolarHBondContact NH1-O 2.78Å; R128-F470 PolarHBondContact NH2-O 3.02Å; Y439-F470 HydrophobicContact CD2-CD1 4.22Å; Y439-F470 HydrophobicContact CE2-CD1 4.22Å; V447-F470 HydrophobicContact CB-CE1 4.4Å; V447-F470 HydrophobicContact CB-CZ 4.21Å; V447-F470 HydrophobicContact CG1-CE1 4.07Å; V447-F470 HydrophobicContact CG1-CZ 4.38Å; V447-F470 HydrophobicContact CG2-CE1 4.11Å; V447-F470 HydrophobicContact CG2-CE2 4.29Å; V447-F470 HydrophobicContact CG2-CZ 3.69Å; V449-F470 HydrophobicContact CG2-CE2 3.88Å; V449-F470 HydrophobicContact CG2-CZ 3.86Å; I465-F470 HydrophobicContact CG2-CD2 3.89Å; I465-F470 HydrophobicContact CG2-CE2 3.66Å; I465-F470 WeakPolarHBondContact O-CD2 3.3Å; I465-F470 PolarHBondContact O-N 3.47Å; L466-F470 HydrophobicContact CD2-CD2 4.32Å; L466-F470 CarbonylContact O-C 3.56Å; L466-F470 WeakPolarHBondContact O-CA 3.27Å; L466-F470 WeakPolarHBondContact O-CB 3.34Å; L466-F470 PolarHBondContact O-N 2.98Å; F470-M472 PolarHBondContact O-N 2.86Å; F470-M472 VanDerWaalsContact O-N 3.16Å; F470-L525 HydrophobicContact CB-CD2 4.28Å; F470-L525 HydrophobicContact CD1-CD2 3.91Å; F470-L525 HydrophobicContact CD2-CD2 4.03Å; F470-L525 HydrophobicContact CE1-CD2 4.24Å; F470-L525 HydrophobicContact CE2-CD2 4.35Å; F470-L525 HydrophobicContact CG-CD2 3.82Å; F470-L525 HydrophobicContact CZ-CD2 4.46Å; F470-V543 HydrophobicContact CZ-CG1 4.37Å; F470-V543 HydrophobicContact CZ-CG2 4.01Å
471G83Confident90.3Very high22 Ų2236.5 Ų36.523%0.22719%0.186CC..  trans64.819.1168.900000115.7R128 L466 K467 Q521R128-G471 PolarHBondContact NH1-O 2.8Å; L466-G471 PolarHBondContact O-N 2.98Å; L466-G471 VanDerWaalsContact O-N 3.11Å; K467-G471 WeakPolarHBondContact O-CA 3.15Å; K467-G471 PolarHBondContact O-N 2.85Å; G471-Q521 PolarHBondContact O-NE2 3.39Å
472M88.4Confident89.8Confident6 Ų640.2 Ų40.23%0.0323%0.226CC..  trans-70.5143.2174.5-69-178.516000110L466 K467 F470 P475 S516 D518 Y523 L525L466-M472 HydrophobicContact CB-SD 4.3Å; L466-M472 HydrophobicContact CD2-SD 4.08Å; L466-M472 WeakPolarHBondContact O-CB 3.36Å; L466-M472 PolarHBondContact O-N 3.44Å; K467-M472 WeakPolarHBondContact CA-O 3.37Å; K467-M472 WeakPolarHBondContact CG-O 3.33Å; F470-M472 PolarHBondContact O-N 2.86Å; F470-M472 VanDerWaalsContact O-N 3.16Å; M472-P475 HydrophobicContact CB-CB 4.15Å; M472-P475 HydrophobicContact CB-CG 4.43Å; M472-P475 HydrophobicContact SD-CB 3.84Å; M472-S516 PolarHBondContact SD-OG 2.91Å; M472-D518 WeakPolarHBondContact CA-OD2 3.3Å; M472-D518 HydrophobicContact CB-CB 4.46Å; M472-D518 HydrophobicContact CG-CB 4.28Å; M472-Y523 HydrophobicContact CE-CD1 3.55Å; M472-Y523 HydrophobicContact CE-CE1 3.44Å; M472-Y523 VanDerWaalsContact CE-CE1 3.44Å; M472-Y523 HydrophobicContact CG-CD1 4.25Å; M472-Y523 HydrophobicContact CG-CE1 4.27Å; M472-L525 HydrophobicContact CE-CB 3.71Å; M472-L525 HydrophobicContact CE-CD2 4.43Å
473V84.6Confident89.4Confident43 Ų4347.9 Ų47.926%0.26126%0.259SS..SBendtrans-87.2-52.1177.1-179.50000109.8D518 L520 Q521V473-D518 PolarHBondContact N-OD2 3.39Å; V473-L520 HydrophobicContact CB-CD1 4.28Å; V473-L520 HydrophobicContact CG1-CD1 3.73Å; V473-Q521 HydrophobicContact CG2-CG 4.25Å
474A87.9Confident89.1Confident23 Ų2346.5 Ų46.519%0.1926%0.259CS..SBendtrans-13978.8-174.100000109.7D518 L520A474-D518 PolarHBondContact N-OD2 2.88Å; A474-D518 VanDerWaalsContact N-OD2 3.08Å; A474-L520 HydrophobicContact CB-CD1 3.72Å; A474-L520 HydrophobicContact CB-CG 4.29Å
475P93.2Very high89.2Confident1 Ų146.3 Ų46.31%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-77.6131.2-175.630.1-34.1000112.3Q462 L466 K467 M472 V477 I488 D517Q462-P475 HydrophobicContact CG-CG 4.3Å; L466-P475 HydrophobicContact CB-CB 4.24Å; L466-P475 HydrophobicContact CB-CG 4.16Å; L466-P475 HydrophobicContact CD1-CB 4.08Å; L466-P475 HydrophobicContact CD1-CG 4.36Å; K467-P475 HydrophobicContact CG-CG 4.25Å; M472-P475 HydrophobicContact CB-CB 4.15Å; M472-P475 HydrophobicContact CB-CG 4.43Å; M472-P475 HydrophobicContact SD-CB 3.84Å; P475-V477 HydrophobicContact CB-CG2 4.47Å; P475-I488 WeakPolarHBondContact O-CG2 3.19Å; P475-D517 CarbonylContact C-O 3.53Å; P475-D517 WeakPolarHBondContact CA-O 3.42Å
476D94.7Very high89.2Confident29 Ų2950.9 Ų50.916%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-104.6121.7164.9-74.3-74.9000108.8I488 S489 S490 S516 D517 F519D476-I488 CarbonylContact C-O 3.59Å; D476-I488 WeakPolarHBondContact CA-O 3.36Å; D476-S489 VanDerWaalsContact OD1-CA 3.29Å; D476-S489 WeakPolarHBondContact OD1-CA 3.32Å; D476-S490 VanDerWaalsContact CG-OG 3.31Å; D476-S490 PolarHBondContact OD1-N 2.82Å; D476-S490 PolarHBondContact OD1-OG 3.34Å; D476-S490 VanDerWaalsContact OD2-CB 3.29Å; D476-S490 WeakPolarHBondContact OD2-CB 3.33Å; D476-S490 PolarHBondContact OD2-OG 3.24Å; D476-S516 CarbonylContact O-C 3.35Å; D476-S516 WeakPolarHBondContact O-CA 3.41Å; D476-D517 PolarHBondContact N-O 3.38Å; D476-D517 PolarHBondContact O-N 2.97Å; D476-F519 HydrophobicContact CB-CE2 4.12Å; D476-F519 WeakPolarHBondContact OD2-CD2 3.3Å; D476-F519 WeakPolarHBondContact OD2-CE2 3.36Å
477V96.1Very high89.2Confident3 Ų350.9 Ų50.92%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-120.1125.3-172-174.70000111.2L466 P475 L487 I488 L514 Q515L466-V477 HydrophobicContact CD1-CG2 3.34Å; P475-V477 HydrophobicContact CB-CG2 4.47Å; V477-L487 HydrophobicContact CB-CB 4.35Å; V477-L487 HydrophobicContact CG1-CB 4.29Å; V477-L487 HydrophobicContact CG1-CD2 4.25Å; V477-L487 PolarHBondContact O-N 3.44Å; V477-I488 HydrophobicContact CB-CB 3.95Å; V477-I488 HydrophobicContact CB-CD1 4.16Å; V477-I488 HydrophobicContact CB-CG1 4.33Å; V477-I488 HydrophobicContact CG2-CB 3.95Å; V477-I488 HydrophobicContact CG2-CD1 3.75Å; V477-I488 HydrophobicContact CG2-CG1 4.31Å; V477-I488 PolarHBondContact N-O 3.04Å; V477-I488 PolarHBondContact O-N 2.93Å; V477-L514 HydrophobicContact CG1-CB 4.18Å; V477-Q515 WeakPolarHBondContact CA-O 3.31Å
478Q95.5Very high89.5Confident64 Ų6447.6 Ų47.630%0.29927%0.271SS..EExtended strand (participates in β ladder)trans-121.9149.117465.4178.46.600112.1T485 L514 Q515Q478-T485 WeakPolarHBondContact CA-O 3.49Å; Q478-L514 WeakPolarHBondContact O-CA 3.34Å; Q478-Q515 HydrophobicContact CG-CB 3.86Å; Q478-Q515 HydrophobicContact CG-CG 4.46Å; Q478-Q515 PolarHBondContact N-O 3.42Å; Q478-Q515 VanDerWaalsContact NE2-CD 3.26Å; Q478-Q515 PolarHBondContact O-N 2.94Å
479I95Very high89.8Confident11 Ų1140.9 Ų40.96%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-86.9130.3174.4-51176.5000109D481 T485 F506 I508 L514I479-D481 HydrophobicContact CG2-CB 4.08Å; I479-D481 PolarHBondContact O-N 3.14Å; I479-T485 HydrophobicContact CD1-CG2 4.24Å; I479-T485 PolarHBondContact N-O 2.95Å; I479-F506 HydrophobicContact CD1-CB 3.98Å; I479-I508 HydrophobicContact CD1-CD1 4.18Å; I479-I508 HydrophobicContact CD1-CG1 3.92Å; I479-L514 HydrophobicContact CB-CD2 4.37Å; I479-L514 HydrophobicContact CG1-CD2 3.89Å; I479-L514 HydrophobicContact CG2-CD2 4.35Å
480E90.9Very high89.9Confident89 Ų8942 Ų4242%0.41625%0.254SS..THydrogen-bonded Turntrans-76.762.4173.1-67.7-166.6148.600111.4R513 Q515 L526E480-R513 HydrophobicContact CB-CB 4.01Å; E480-R513 HydrophobicContact CG-CB 4.29Å; E480-R513 PolarHBondContact N-O 3.4Å; E480-R513 WeakPolarHBondContact OE2-CB 3.37Å; E480-R513 WeakPolarHBondContact OE2-CD 3.32Å; E480-R513 IonicContact OE2-CZ 2.7Å; E480-R513 IonicContact OE2-NE 2.72Å; E480-R513 PolarHBondContact OE2-NE 2.79Å; E480-Q515 HydrophobicContact CG-CB 4.45Å; E480-L526 WeakPolarHBondContact OE1-CD2 3.37Å
481D87.4Confident89.8Confident73 Ų7348.1 Ų48.139%0.3928%0.283SS..THydrogen-bonded Turntrans-101.43.2177.966.7-1.3000113.3I479 K483 G484 T485I479-D481 HydrophobicContact CG2-CB 4.08Å; I479-D481 PolarHBondContact O-N 3.14Å; D481-K483 PolarHBondContact O-N 2.96Å; D481-K483 WeakPolarHBondContact OD1-CA 3.47Å; D481-K483 WeakPolarHBondContact OD1-CB 3.43Å; D481-K483 PolarHBondContact OD1-N 2.92Å; D481-G484 PolarHBondContact OD1-N 3.5Å; D481-T485 PolarHBondContact OD2-OG1 3.41Å
482G83.7Confident89.8Confident84 Ų8456.1 Ų56.187%0.86631%0.314SS*.THydrogen-bonded Turntrans78.8-6.8-174.200000114.8
483K85.7Confident89.6Confident186 Ų18658.4 Ų58.481%0.80934%0.339SS*.THydrogen-bonded Turntrans-99.1-22172.4-62.3177.6-179.1173.40112.4D481D481-K483 PolarHBondContact O-N 2.96Å; D481-K483 WeakPolarHBondContact OD1-CA 3.47Å; D481-K483 WeakPolarHBondContact OD1-CB 3.43Å; D481-K483 PolarHBondContact OD1-N 2.92Å
484G82.1Confident89.8Confident32 Ų3261.7 Ų61.733%0.3335%0.351SS..  trans73.344.9-178.500000111.5D481 I486D481-G484 PolarHBondContact OD1-N 3.5Å; G484-I486 PolarHBondContact O-N 3.25Å
485T90.2Very high89.9Confident49 Ų4961.2 Ų61.230%0.30135%0.346SS..EExtended strand (participates in β ladder)trans-62.8116.7179.1-57.50000109.8Q478 I479 D481Q478-T485 WeakPolarHBondContact CA-O 3.49Å; I479-T485 HydrophobicContact CD1-CG2 4.24Å; I479-T485 PolarHBondContact N-O 2.95Å; D481-T485 PolarHBondContact OD2-OG1 3.41Å
486I92.2Very high89.6Confident99 Ų9966.8 Ų66.851%0.50837%0.372SS..EExtended strand (participates in β ladder)trans-78.4124.6178.7-56.2172.9000109.1G484 T495G484-I486 PolarHBondContact O-N 3.25Å; I486-T495 HydrophobicContact CG2-CG2 4.17Å
487L92.8Very high89.4Confident0 Ų070.7 Ų70.70%040%0.397CS..EExtended strand (participates in β ladder)trans-99.5-47.3179.2-171.367.1000111.3V458 L461 V477 N498 L503 F506 I508V458-L487 HydrophobicContact CG1-CD1 4.4Å; V458-L487 HydrophobicContact CG1-CG 4.05Å; V458-L487 HydrophobicContact CG2-CD1 3.71Å; V458-L487 HydrophobicContact CG2-CG 4.18Å; L461-L487 HydrophobicContact CD2-CD2 3.5Å; L461-L487 VanDerWaalsContact CD2-CD2 3.5Å; V477-L487 HydrophobicContact CB-CB 4.35Å; V477-L487 HydrophobicContact CG1-CB 4.29Å; V477-L487 HydrophobicContact CG1-CD2 4.25Å; V477-L487 PolarHBondContact O-N 3.44Å; L487-N498 PolarHBondContact O-ND2 2.66Å; L487-L503 HydrophobicContact CD2-CD2 4.19Å; L487-F506 HydrophobicContact CD1-CB 4.16Å; L487-F506 HydrophobicContact CD1-CD1 3.72Å; L487-F506 HydrophobicContact CD1-CD2 3.57Å; L487-F506 HydrophobicContact CD1-CE1 3.94Å; L487-F506 HydrophobicContact CD1-CE2 3.79Å; L487-F506 HydrophobicContact CD1-CG 3.53Å; L487-F506 HydrophobicContact CD1-CZ 3.97Å; L487-I508 HydrophobicContact CD1-CD1 4.48Å; L487-I508 HydrophobicContact CD2-CD1 3.88Å
488I94.4Very high89.1Confident0 Ų071.5 Ų71.50%040%0.402CS..EExtended strand (participates in β ladder)trans-130.8133.6-179.2-61.2160.9000107.2V458 L461 Q462 L466 P475 D476 V477V458-I488 HydrophobicContact CG1-CD1 4.03Å; V458-I488 HydrophobicContact CG1-CG1 3.54Å; L461-I488 HydrophobicContact CD2-CD1 4.15Å; L461-I488 HydrophobicContact CG-CD1 4.23Å; Q462-I488 HydrophobicContact CB-CD1 3.72Å; Q462-I488 HydrophobicContact CB-CG1 4.43Å; Q462-I488 HydrophobicContact CG-CD1 4.29Å; Q462-I488 HydrophobicContact CG-CG2 4.04Å; L466-I488 HydrophobicContact CD1-CD1 4.01Å; P475-I488 WeakPolarHBondContact O-CG2 3.19Å; D476-I488 CarbonylContact C-O 3.59Å; D476-I488 WeakPolarHBondContact CA-O 3.36Å; V477-I488 HydrophobicContact CB-CB 3.95Å; V477-I488 HydrophobicContact CB-CD1 4.16Å; V477-I488 HydrophobicContact CB-CG1 4.33Å; V477-I488 HydrophobicContact CG2-CB 3.95Å; V477-I488 HydrophobicContact CG2-CD1 3.75Å; V477-I488 HydrophobicContact CG2-CG1 4.31Å; V477-I488 PolarHBondContact N-O 3.04Å; V477-I488 PolarHBondContact O-N 2.93Å
489S92.8Very high88.8Confident11 Ų1170 Ų708%0.07740%0.396CS..  trans-114.6143.7170.8179.70000109.4D476 E491 E494 T495D476-S489 VanDerWaalsContact OD1-CA 3.29Å; D476-S489 WeakPolarHBondContact OD1-CA 3.32Å; S489-E491 PolarHBondContact OG-N 3.28Å; S489-E494 VanDerWaalsContact CB-OE2 3.31Å; S489-E494 WeakPolarHBondContact CB-OE2 3.2Å; S489-E494 PolarHBondContact OG-OE2 2.72Å; S489-T495 PolarHBondContact N-OG1 3.46Å
490S88.1Confident88.6Confident56 Ų5676.1 Ų76.139%0.39243%0.428SS..SBendtrans-74.8-15.6170.759.30000112.7D476D476-S490 VanDerWaalsContact CG-OG 3.31Å; D476-S490 PolarHBondContact OD1-N 2.82Å; D476-S490 PolarHBondContact OD1-OG 3.34Å; D476-S490 VanDerWaalsContact OD2-CB 3.29Å; D476-S490 WeakPolarHBondContact OD2-CB 3.33Å; D476-S490 PolarHBondContact OD2-OG 3.24Å
491E87.4Confident88.7Confident129 Ų12975.9 Ų75.960%0.60343%0.426SS*.SBendtrans-80123.6175.5-62.1-166.4-175.600111.5S489 G493 E494S489-E491 PolarHBondContact OG-N 3.28Å; E491-G493 PolarHBondContact O-N 3.3Å; E491-E494 HydrophobicContact CB-CG 4.01Å; E491-E494 PolarHBondContact O-N 3.44Å
492E83.4Confident89.1Confident191 Ų19176.4 Ų76.489%0.89343%0.425SS*.THydrogen-bonded Turntrans-57.8134179.7-70.5-176.3177.600111.7
493G83.7Confident89.6Confident53 Ų5372.5 Ų72.555%0.54638%0.384SS..THydrogen-bonded Turntrans88.4-9.917800000117.1E491 E496E491-G493 PolarHBondContact O-N 3.3Å; G493-E496 PolarHBondContact N-OE1 3.27Å; G493-E496 VanDerWaalsContact N-OE1 3.13Å
494E88.9Confident90Very high112 Ų11265.8 Ų65.852%0.52336%0.361SS..THydrogen-bonded Turntrans-79.9-46.6-177.5-65.5-160.3140.400113.6S489 E491S489-E494 VanDerWaalsContact CB-OE2 3.31Å; S489-E494 WeakPolarHBondContact CB-OE2 3.2Å; S489-E494 PolarHBondContact OG-OE2 2.72Å; E491-E494 HydrophobicContact CB-CG 4.01Å; E491-E494 PolarHBondContact O-N 3.44Å
495T89Confident90.5Very high14 Ų1469.1 Ų69.19%0.08637%0.371CS..SBendtrans-1155.8-172.4560000114.6I486 S489 T497 N498 N499I486-T495 HydrophobicContact CG2-CG2 4.17Å; S489-T495 PolarHBondContact N-OG1 3.46Å; T495-T497 PolarHBondContact O-N 3.06Å; T495-T497 VanDerWaalsContact O-N 3.09Å; T495-N498 VanDerWaalsContact O-CB 3.23Å; T495-N498 WeakPolarHBondContact O-CB 3.35Å; T495-N498 PolarHBondContact O-N 3.48Å; T495-N499 PolarHBondContact O-OD1 3.16Å
496E87.1Confident90.6Very high118 Ų11869.1 Ų69.155%0.55137%0.367SS*.G310 helixtrans-57.9-30.6-177-65.8179.9-17000113.4G493 N498 N499G493-E496 PolarHBondContact N-OE1 3.27Å; G493-E496 VanDerWaalsContact N-OE1 3.13Å; E496-N498 PolarHBondContact O-N 3.07Å; E496-N498 VanDerWaalsContact O-N 3.14Å; E496-N499 WeakPolarHBondContact O-CB 3.26Å; E496-N499 PolarHBondContact O-N 3.22Å
497T90.2Very high90.6Very high111 Ų11166.9 Ų66.968%0.68137%0.368SS*.G310 helixtrans-65.8-13.1175.965.80000113.6T495 K501T495-T497 PolarHBondContact O-N 3.06Å; T495-T497 VanDerWaalsContact O-N 3.09Å; T497-K501 WeakPolarHBondContact O-CE 3.31Å
498N90.4Very high90.7Very high20 Ų2067 Ų6711%0.10737%0.369CS..G310 helixtrans-90.7-18.9178.3-62.9-23.8000113V458 L487 T495 E496 N500 K501 F506V458-N498 WeakPolarHBondContact CB-O 3.49Å; V458-N498 HydrophobicContact CG1-CB 4.43Å; V458-N498 HydrophobicContact CG2-CB 4.4Å; V458-N498 WeakPolarHBondContact CG2-O 3.36Å; L487-N498 PolarHBondContact O-ND2 2.66Å; T495-N498 VanDerWaalsContact O-CB 3.23Å; T495-N498 WeakPolarHBondContact O-CB 3.35Å; T495-N498 PolarHBondContact O-N 3.48Å; E496-N498 PolarHBondContact O-N 3.07Å; E496-N498 VanDerWaalsContact O-N 3.14Å; N498-N500 VanDerWaalsContact C-N 3.26Å; N498-N500 PolarHBondContact O-N 3.23Å; N498-N500 VanDerWaalsContact O-N 3.09Å; N498-K501 WeakPolarHBondContact O-CB 3.24Å; N498-K501 PolarHBondContact O-N 3.26Å; N498-K501 PolarHBondContact OD1-NZ 3.45Å; N498-F506 HydrophobicContact CB-CE1 4.48Å; N498-F506 HydrophobicContact CB-CZ 3.7Å
499N89.4Confident90.6Very high33 Ų3375.8 Ų75.818%0.17640%0.402CS..THydrogen-bonded Turntrans-52.7-40.8-168.8-70.66.8000113.8T457 L459 T495 E496T457-N499 WeakPolarHBondContact CB-O 3.23Å; L459-N499 HydrophobicContact CB-CB 4.12Å; L459-N499 WeakPolarHBondContact CB-O 3.45Å; L459-N499 HydrophobicContact CD1-CB 4.38Å; L459-N499 PolarHBondContact N-O 2.68Å; L459-N499 VanDerWaalsContact N-O 3.11Å; T495-N499 PolarHBondContact O-OD1 3.16Å; E496-N499 WeakPolarHBondContact O-CB 3.26Å; E496-N499 PolarHBondContact O-N 3.22Å
500N91.3Very high90.7Very high139 Ų13980 Ų8074%0.74342%0.424SS*.THydrogen-bonded Turntrans-90.1-2.2-177.5-63.8-32.1000114.4N498N498-N500 VanDerWaalsContact C-N 3.26Å; N498-N500 PolarHBondContact O-N 3.23Å; N498-N500 VanDerWaalsContact O-N 3.09Å
501K93.6Very high90.9Very high83 Ų8380 Ų8036%0.36143%0.433SS..SBendtrans-83.6151.2177.8-63.9177.8-167.9157.70110.1T457 V458 T497 N498 D505 F506T457-K501 VanDerWaalsContact CA-O 3.3Å; T457-K501 WeakPolarHBondContact CA-O 3.07Å; V458-K501 PolarHBondContact N-O 3.12Å; V458-K501 VanDerWaalsContact N-O 3.08Å; T497-K501 WeakPolarHBondContact O-CE 3.31Å; N498-K501 WeakPolarHBondContact O-CB 3.24Å; N498-K501 PolarHBondContact O-N 3.26Å; N498-K501 PolarHBondContact OD1-NZ 3.45Å; K501-D505 HydrophobicContact CB-CB 4.47Å; K501-F506 HydrophobicContact CB-CE2 3.7Å; K501-F506 HydrophobicContact CB-CZ 4.21Å; K501-F506 HydrophobicContact CD-CE2 4.05Å; K501-F506 HydrophobicContact CD-CZ 3.77Å
502F95Very high91.3Very high85 Ų8574.7 Ų74.737%0.37341%0.41SS..BIsolated β-bridgetrans-80.6153.2177.6-62.6-70.1000110.7Q454 K455 T456 T457 S504 D505Q454-F502 VanDerWaalsContact O-CD1 3.28Å; Q454-F502 WeakPolarHBondContact O-CD1 3.46Å; K455-F502 WeakPolarHBondContact O-CE1 3.39Å; T456-F502 WeakPolarHBondContact O-CA 3.35Å; T457-F502 HydrophobicContact CG2-CD1 4.09Å; T457-F502 HydrophobicContact CG2-CE1 4.05Å; F502-S504 PolarHBondContact O-N 3.33Å; F502-D505 PolarHBondContact N-OD2 3.36Å; F502-D505 VanDerWaalsContact O-CB 3.31Å; F502-D505 WeakPolarHBondContact O-CB 3.26Å; F502-D505 PolarHBondContact O-N 3.04Å
503L94.1Very high91.9Very high2 Ų269.4 Ų69.41%0.0138%0.382CS..G310 helixtrans-57-37177.1-63.3-177.1000111.8V451 V453 T456 V458 L461 L487 D505 F506 I508V451-L503 HydrophobicContact CG2-CD1 4.46Å; V453-L503 HydrophobicContact CB-CB 4.2Å; T456-L503 HydrophobicContact CG2-CD1 3.74Å; T456-L503 HydrophobicContact CG2-CG 4.23Å; T456-L503 PolarHBondContact O-N 2.93Å; V458-L503 HydrophobicContact CG2-CD2 4.29Å; L461-L503 HydrophobicContact CB-CD2 4.23Å; L461-L503 HydrophobicContact CD2-CD2 3.83Å; L487-L503 HydrophobicContact CD2-CD2 4.19Å; L503-D505 PolarHBondContact O-N 3.17Å; L503-F506 PolarHBondContact O-N 3.49Å; L503-F506 VanDerWaalsContact O-N 3.14Å; L503-I508 HydrophobicContact CB-CB 4.19Å; L503-I508 HydrophobicContact CB-CD1 4.01Å; L503-I508 HydrophobicContact CB-CG2 4.38Å; L503-I508 HydrophobicContact CD2-CD1 4Å; L503-I508 VanDerWaalsContact O-CB 3.31Å; L503-I508 WeakPolarHBondContact O-CB 3.42Å; L503-I508 PolarHBondContact O-N 3.44Å
504S94.1Very high92.5Very high45 Ų4567 Ų6732%0.31536%0.356SS..G310 helixtrans-60.3-26.8176.159.60000114.5V453 F502 F506 G507V453-S504 WeakPolarHBondContact O-CB 3.45Å; V453-S504 PolarHBondContact O-N 3.36Å; V453-S504 PolarHBondContact O-OG 3.2Å; F502-S504 PolarHBondContact O-N 3.33Å; S504-F506 PolarHBondContact O-N 2.95Å; S504-G507 PolarHBondContact O-N 2.88Å
505D93.2Very high92.8Very high102 Ų10263.7 Ų63.755%0.54534%0.341SS..G310 helixtrans-65.6-22.8177.9-63.5-34.6000112.2K501 F502 L503K501-D505 HydrophobicContact CB-CB 4.47Å; F502-D505 PolarHBondContact N-OD2 3.36Å; F502-D505 VanDerWaalsContact O-CB 3.31Å; F502-D505 WeakPolarHBondContact O-CB 3.26Å; F502-D505 PolarHBondContact O-N 3.04Å; L503-D505 PolarHBondContact O-N 3.17Å
506F92.4Very high93.1Very high48 Ų4863 Ų6321%0.21134%0.337CS..G310 helixtrans-95.19.2177.1-62-91.6000112.9V458 I479 L487 N498 K501 L503 S504 I508V458-F506 HydrophobicContact CG2-CD2 4.2Å; V458-F506 HydrophobicContact CG2-CE2 3.59Å; V458-F506 HydrophobicContact CG2-CZ 4.25Å; I479-F506 HydrophobicContact CD1-CB 3.98Å; L487-F506 HydrophobicContact CD1-CB 4.16Å; L487-F506 HydrophobicContact CD1-CD1 3.72Å; L487-F506 HydrophobicContact CD1-CD2 3.57Å; L487-F506 HydrophobicContact CD1-CE1 3.94Å; L487-F506 HydrophobicContact CD1-CE2 3.79Å; L487-F506 HydrophobicContact CD1-CG 3.53Å; L487-F506 HydrophobicContact CD1-CZ 3.97Å; N498-F506 HydrophobicContact CB-CE1 4.48Å; N498-F506 HydrophobicContact CB-CZ 3.7Å; K501-F506 HydrophobicContact CB-CE2 3.7Å; K501-F506 HydrophobicContact CB-CZ 4.21Å; K501-F506 HydrophobicContact CD-CE2 4.05Å; K501-F506 HydrophobicContact CD-CZ 3.77Å; L503-F506 PolarHBondContact O-N 3.49Å; L503-F506 VanDerWaalsContact O-N 3.14Å; S504-F506 PolarHBondContact O-N 2.95Å; F506-I508 VanDerWaalsContact C-N 3.28Å; F506-I508 HydrophobicContact CB-CD1 4.32Å; F506-I508 HydrophobicContact CB-CG1 4.29Å; F506-I508 PolarHBondContact O-N 3.4Å
507G91.4Very high93.4Very high52 Ų5258.5 Ų58.554%0.53632%0.316SS..THydrogen-bonded Turntrans7614.1-177.700000114.1S504S504-G507 PolarHBondContact O-N 2.88Å
508I94.4Very high93.4Very high3 Ų353.2 Ų53.22%0.01528%0.284CS..  trans-72.2128.4173.7-56.8170.7000108.5V453 I479 L487 L503 F506 L514 V529V453-I508 HydrophobicContact CG1-CG2 4.28Å; I479-I508 HydrophobicContact CD1-CD1 4.18Å; I479-I508 HydrophobicContact CD1-CG1 3.92Å; L487-I508 HydrophobicContact CD1-CD1 4.48Å; L487-I508 HydrophobicContact CD2-CD1 3.88Å; L503-I508 HydrophobicContact CB-CB 4.19Å; L503-I508 HydrophobicContact CB-CD1 4.01Å; L503-I508 HydrophobicContact CB-CG2 4.38Å; L503-I508 HydrophobicContact CD2-CD1 4Å; L503-I508 VanDerWaalsContact O-CB 3.31Å; L503-I508 WeakPolarHBondContact O-CB 3.42Å; L503-I508 PolarHBondContact O-N 3.44Å; F506-I508 VanDerWaalsContact C-N 3.28Å; F506-I508 HydrophobicContact CB-CD1 4.32Å; F506-I508 HydrophobicContact CB-CG1 4.29Å; F506-I508 PolarHBondContact O-N 3.4Å; I508-L514 HydrophobicContact CD1-CD2 3.98Å; I508-L514 HydrophobicContact CG1-CD2 4.29Å; I508-V529 HydrophobicContact CG2-CB 4.33Å; I508-V529 HydrophobicContact CG2-CG1 4.07Å; I508-V529 HydrophobicContact CG2-CG2 4.02Å
509R93.7Very high93.3Very high184 Ų18459.3 Ų59.369%0.69431%0.31SS*.  trans-144.1-179.4-175.861.7-176.4178.1-162.6-2.1110.4G511 S512R509-G511 PolarHBondContact O-N 3.24Å; R509-S512 PolarHBondContact N-OG 2.9Å; R509-S512 VanDerWaalsContact O-CB 3.22Å; R509-S512 WeakPolarHBondContact O-CB 3.23Å; R509-S512 PolarHBondContact O-N 2.66Å; R509-S512 PolarHBondContact O-OG 3.49Å
510N94.8Very high92.9Very high100 Ų10060.8 Ų60.854%0.53532%0.317SS..THydrogen-bonded Turntrans-53.9127.5172.7-166.554.6000111.3S512 L530 H531N510-S512 VanDerWaalsContact C-N 3.32Å; N510-L530 WeakPolarHBondContact OD1-CA 3.35Å; N510-H531 HydrophobicContact CB-CB 3.85Å; N510-H531 PolarHBondContact OD1-N 3.33Å
511G92.3Very high92.4Very high56 Ų5654.2 Ų54.258%0.57728%0.282SS*.THydrogen-bonded Turntrans81.23-177.900000115R509 V529R509-G511 PolarHBondContact O-N 3.24Å; G511-V529 PolarHBondContact N-O 2.98Å
512S94.9Very high92Very high18 Ų1855.4 Ų55.413%0.12629%0.292CS..  trans-62.5144.9169.9-74.10000110.7R509 N510 V529R509-S512 PolarHBondContact N-OG 2.9Å; R509-S512 VanDerWaalsContact O-CB 3.22Å; R509-S512 WeakPolarHBondContact O-CB 3.23Å; R509-S512 PolarHBondContact O-N 2.66Å; R509-S512 PolarHBondContact O-OG 3.49Å; N510-S512 VanDerWaalsContact C-N 3.32Å; S512-V529 PolarHBondContact O-N 3.03Å
513R95.6Very high91.7Very high80 Ų8052 Ų5230%0.30228%0.277SS..EExtended strand (participates in β ladder)trans-114.5129.1178.1-67.7175.66798.5-4.1109.5E446 E480 I527 N528E446-R513 IonicContact OE1-NH1 2.72Å; E446-R513 PolarHBondContact OE1-NH1 3.09Å; E446-R513 IonicContact OE2-CZ 3.31Å; E446-R513 IonicContact OE2-NH1 2.77Å; E446-R513 PolarHBondContact OE2-NH1 3.24Å; E446-R513 IonicContact OE2-NH2 3.18Å; E446-R513 PolarHBondContact OE2-NH2 3.38Å; E480-R513 HydrophobicContact CB-CB 4.01Å; E480-R513 HydrophobicContact CG-CB 4.29Å; E480-R513 PolarHBondContact N-O 3.4Å; E480-R513 WeakPolarHBondContact OE2-CB 3.37Å; E480-R513 WeakPolarHBondContact OE2-CD 3.32Å; E480-R513 IonicContact OE2-CZ 2.7Å; E480-R513 IonicContact OE2-NE 2.72Å; E480-R513 PolarHBondContact OE2-NE 2.79Å; R513-I527 WeakPolarHBondContact CA-O 3.31Å; R513-N528 WeakPolarHBondContact CG-OD1 3.46Å; R513-N528 PolarHBondContact NH1-OD1 3.02Å
514L96.1Very high91.7Very high2 Ų254.7 Ų54.71%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-113.1135.1174.7-48.1176.4000107.9L461 V477 Q478 I479 I508 I527 V529L461-L514 HydrophobicContact CD2-CD1 3.97Å; V477-L514 HydrophobicContact CG1-CB 4.18Å; Q478-L514 WeakPolarHBondContact O-CA 3.34Å; I479-L514 HydrophobicContact CB-CD2 4.37Å; I479-L514 HydrophobicContact CG1-CD2 3.89Å; I479-L514 HydrophobicContact CG2-CD2 4.35Å; I508-L514 HydrophobicContact CD1-CD2 3.98Å; I508-L514 HydrophobicContact CG1-CD2 4.29Å; L514-I527 HydrophobicContact CB-CB 4.26Å; L514-I527 PolarHBondContact N-O 3.39Å; L514-I527 PolarHBondContact O-N 3.08Å; L514-V529 HydrophobicContact CD1-CG2 3.91Å; L514-V529 HydrophobicContact CG-CG2 4.03Å
515Q96.1Very high91.7Very high43 Ų4352.6 Ų52.620%0.20128%0.279CS..EExtended strand (participates in β ladder)trans-102.9122.1168.1178.9-177.5-20.300107.5V477 Q478 E480 D517 T524 L526V477-Q515 WeakPolarHBondContact CA-O 3.31Å; Q478-Q515 HydrophobicContact CG-CB 3.86Å; Q478-Q515 HydrophobicContact CG-CG 4.46Å; Q478-Q515 PolarHBondContact N-O 3.42Å; Q478-Q515 VanDerWaalsContact NE2-CD 3.26Å; Q478-Q515 PolarHBondContact O-N 2.94Å; E480-Q515 HydrophobicContact CG-CB 4.45Å; Q515-D517 PolarHBondContact NE2-OD1 2.84Å; Q515-D517 PolarHBondContact NE2-OD2 3.31Å; Q515-T524 HydrophobicContact CG-CG2 3.86Å; Q515-L526 HydrophobicContact CB-CD2 3.86Å; Q515-L526 HydrophobicContact CG-CD2 3.97Å
516S95.4Very high91.8Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-111.1119.5175.4-168.50000108.8M472 D476 T524 L525M472-S516 PolarHBondContact SD-OG 2.91Å; D476-S516 CarbonylContact O-C 3.35Å; D476-S516 WeakPolarHBondContact O-CA 3.41Å; S516-T524 WeakPolarHBondContact O-CA 3.4Å; S516-L525 PolarHBondContact N-O 3.01Å; S516-L525 PolarHBondContact O-N 3.45Å
517D94.1Very high92Very high22 Ų2247 Ų4712%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-108.5132.7177.8-70.4-66.6000109.5P475 D476 Q515 F519 T524P475-D517 CarbonylContact C-O 3.53Å; P475-D517 WeakPolarHBondContact CA-O 3.42Å; D476-D517 PolarHBondContact N-O 3.38Å; D476-D517 PolarHBondContact O-N 2.97Å; Q515-D517 PolarHBondContact NE2-OD1 2.84Å; Q515-D517 PolarHBondContact NE2-OD2 3.31Å; D517-F519 HydrophobicContact CB-CE2 4.27Å; D517-F519 HydrophobicContact CB-CZ 4.15Å; D517-T524 VanDerWaalsContact OD1-CB 3.29Å; D517-T524 WeakPolarHBondContact OD1-CB 3.32Å; D517-T524 WeakPolarHBondContact OD1-CG2 3.37Å; D517-T524 PolarHBondContact OD1-OG1 3.32Å
518D90.4Very high92.2Very high1 Ų145.7 Ų45.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-119.2100.6168.5-174.1-38.7000108.2M472 V473 A474 L520 Q521 D522 Y523M472-D518 WeakPolarHBondContact CA-OD2 3.3Å; M472-D518 HydrophobicContact CB-CB 4.46Å; M472-D518 HydrophobicContact CG-CB 4.28Å; V473-D518 PolarHBondContact N-OD2 3.39Å; A474-D518 PolarHBondContact N-OD2 2.88Å; A474-D518 VanDerWaalsContact N-OD2 3.08Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.92Å; D518-L520 WeakPolarHBondContact OD1-CA 3.47Å; D518-L520 WeakPolarHBondContact OD1-CB 3.48Å; D518-L520 PolarHBondContact OD1-N 3.48Å; D518-Q521 HydrophobicContact CB-CB 4.22Å; D518-Q521 PolarHBondContact O-N 3.33Å; D518-Q521 PolarHBondContact OD1-N 3Å; D518-D522 PolarHBondContact O-N 3.05Å; D518-Y523 PolarHBondContact N-O 2.91Å; D518-Y523 PolarHBondContact O-N 3.25Å; D518-Y523 VanDerWaalsContact O-N 3.09Å
519F86.8Confident92.2Very high148 Ų14845.9 Ų45.965%0.64923%0.233SC*.THydrogen-bonded Turntrans-69.5-22.4-177.6-62.6-73.9000113.2D476 D517 Q521D476-F519 HydrophobicContact CB-CE2 4.12Å; D476-F519 WeakPolarHBondContact OD2-CD2 3.3Å; D476-F519 WeakPolarHBondContact OD2-CE2 3.36Å; D517-F519 HydrophobicContact CB-CE2 4.27Å; D517-F519 HydrophobicContact CB-CZ 4.15Å; F519-Q521 VanDerWaalsContact C-N 3.34Å
520L81.1Confident92.3Very high63 Ų6340.3 Ų40.333%0.3322%0.217SC..THydrogen-bonded Turntrans-73.2-33.2176-62.2179.2000111P100 V473 A474 D518P100-L520 HydrophobicContact CB-CD1 4.48Å; V473-L520 HydrophobicContact CB-CD1 4.28Å; V473-L520 HydrophobicContact CG1-CD1 3.73Å; A474-L520 HydrophobicContact CB-CD1 3.72Å; A474-L520 HydrophobicContact CB-CG 4.29Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.92Å; D518-L520 WeakPolarHBondContact OD1-CA 3.47Å; D518-L520 WeakPolarHBondContact OD1-CB 3.48Å; D518-L520 PolarHBondContact OD1-N 3.48Å
521Q81.2Confident92.2Very high2 Ų237.7 Ų37.71%0.00920%0.201CC..THydrogen-bonded Turntrans-93.5-8178.2-63.5-172.5-28.800114.2R128 M129 A132 G471 V473 D518 F519 Y523R128-Q521 VanDerWaalsContact NH1-OE1 3.11Å; M129-Q521 HydrophobicContact SD-CG 4.42Å; A132-Q521 WeakPolarHBondContact CB-O 3.46Å; G471-Q521 PolarHBondContact O-NE2 3.39Å; V473-Q521 HydrophobicContact CG2-CG 4.25Å; D518-Q521 HydrophobicContact CB-CB 4.22Å; D518-Q521 PolarHBondContact O-N 3.33Å; D518-Q521 PolarHBondContact OD1-N 3Å; F519-Q521 VanDerWaalsContact C-N 3.34Å; Q521-Y523 PolarHBondContact O-N 2.95Å
522D85.9Confident92.2Very high108 Ų10836.1 Ų36.158%0.57818%0.18SC*.THydrogen-bonded Turntrans50.147.6-168.2-168.932.8000111.1A132 D518A132-D522 HydrophobicContact CB-CB 3.85Å; D518-D522 PolarHBondContact O-N 3.05Å
523Y88.9Confident91.8Very high12 Ų1241.6 Ų41.65%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-128.4122.6-170.7174.9-130.2000111.2Y439 P445 M472 D518 Q521 L525Y439-Y523 WeakPolarHBondContact O-CE2 3.26Å; Y439-Y523 PolarHBondContact O-OH 3.42Å; P445-Y523 HydrophobicContact CB-CE2 4.36Å; P445-Y523 HydrophobicContact CG-CE2 4.26Å; M472-Y523 HydrophobicContact CE-CD1 3.55Å; M472-Y523 HydrophobicContact CE-CE1 3.44Å; M472-Y523 VanDerWaalsContact CE-CE1 3.44Å; M472-Y523 HydrophobicContact CG-CD1 4.25Å; M472-Y523 HydrophobicContact CG-CE1 4.27Å; D518-Y523 PolarHBondContact N-O 2.91Å; D518-Y523 PolarHBondContact O-N 3.25Å; D518-Y523 VanDerWaalsContact O-N 3.09Å; Q521-Y523 PolarHBondContact O-N 2.95Å; Y523-L525 HydrophobicContact CE1-CB 4.18Å; Y523-L525 HydrophobicContact CE2-CB 4.37Å; Y523-L525 WeakPolarHBondContact OH-CD1 3.29Å
524T93.6Very high91Very high60 Ų6045.8 Ų45.837%0.36823%0.227SC..EExtended strand (participates in β ladder)trans-114.4129173.9-55.50000109.5Q515 S516 D517Q515-T524 HydrophobicContact CG-CG2 3.86Å; S516-T524 WeakPolarHBondContact O-CA 3.4Å; D517-T524 VanDerWaalsContact OD1-CB 3.29Å; D517-T524 WeakPolarHBondContact OD1-CB 3.32Å; D517-T524 WeakPolarHBondContact OD1-CG2 3.37Å; D517-T524 PolarHBondContact OD1-OG1 3.32Å
525L94.6Very high90.3Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-123126.4177.1-178.259.8000110.6P445 V447 F470 M472 S516 Y523 I527P445-L525 HydrophobicContact CB-CD1 4.1Å; V447-L525 HydrophobicContact CB-CD1 4.48Å; V447-L525 HydrophobicContact CG1-CD1 4.01Å; V447-L525 HydrophobicContact CG2-CD1 3.85Å; V447-L525 HydrophobicContact CG2-CD2 3.91Å; V447-L525 HydrophobicContact CG2-CG 3.98Å; F470-L525 HydrophobicContact CB-CD2 4.28Å; F470-L525 HydrophobicContact CD1-CD2 3.91Å; F470-L525 HydrophobicContact CD2-CD2 4.03Å; F470-L525 HydrophobicContact CE1-CD2 4.24Å; F470-L525 HydrophobicContact CE2-CD2 4.35Å; F470-L525 HydrophobicContact CG-CD2 3.82Å; F470-L525 HydrophobicContact CZ-CD2 4.46Å; M472-L525 HydrophobicContact CE-CB 3.71Å; M472-L525 HydrophobicContact CE-CD2 4.43Å; S516-L525 PolarHBondContact N-O 3.01Å; S516-L525 PolarHBondContact O-N 3.45Å; Y523-L525 HydrophobicContact CE1-CB 4.18Å; Y523-L525 HydrophobicContact CE2-CB 4.37Å; Y523-L525 WeakPolarHBondContact OH-CD1 3.29Å; L525-I527 HydrophobicContact CD2-CD1 4.3Å; L525-I527 HydrophobicContact CD2-CG1 4.09Å; L525-I527 HydrophobicContact CG-CG1 3.97Å
526L94.9Very high89.3Confident28 Ų2852.5 Ų52.515%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-90.3127.5170-63.4173.9000109.8P445 E446 V447 E480 Q515P445-L526 PolarHBondContact O-N 3.41Å; E446-L526 CarbonylContact C-O 3.57Å; E446-L526 VanDerWaalsContact CA-O 3.29Å; E446-L526 WeakPolarHBondContact CA-O 3.3Å; E446-L526 HydrophobicContact CB-CB 4.25Å; E446-L526 HydrophobicContact CG-CB 4.1Å; V447-L526 PolarHBondContact N-O 3.18Å; E480-L526 WeakPolarHBondContact OE1-CD2 3.37Å; Q515-L526 HydrophobicContact CB-CD2 3.86Å; Q515-L526 HydrophobicContact CG-CD2 3.97Å
527I95.8Very high87.8Confident4 Ų456.9 Ų56.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-118.5112.3-175.6-55.4172.3000108.6V447 V449 L466 R513 L514 L525V447-I527 HydrophobicContact CG2-CB 4.35Å; V447-I527 HydrophobicContact CG2-CG1 3.88Å; V447-I527 HydrophobicContact CG2-CG2 4.41Å; V449-I527 HydrophobicContact CB-CG2 4.26Å; V449-I527 HydrophobicContact CG2-CG2 3.73Å; L466-I527 HydrophobicContact CD2-CD1 3.37Å; R513-I527 WeakPolarHBondContact CA-O 3.31Å; L514-I527 HydrophobicContact CB-CB 4.26Å; L514-I527 PolarHBondContact N-O 3.39Å; L514-I527 PolarHBondContact O-N 3.08Å; L525-I527 HydrophobicContact CD2-CD1 4.3Å; L525-I527 HydrophobicContact CD2-CG1 4.09Å; L525-I527 HydrophobicContact CG-CG1 3.97Å
528N95.6Very high86.6Confident25 Ų2560.3 Ų60.313%0.13429%0.294CS..EExtended strand (participates in β ladder)trans-82.9126.8168.1-56.9-60.5000109.4E446 V447 T448 V449 R513E446-N528 WeakPolarHBondContact CG-ND2 3.37Å; E446-N528 PolarHBondContact OE1-ND2 3.48Å; V447-N528 PolarHBondContact O-N 3.48Å; V447-N528 PolarHBondContact O-ND2 3.42Å; T448-N528 CarbonylContact C-O 3.43Å; T448-N528 WeakPolarHBondContact CA-O 3.38Å; T448-N528 HydrophobicContact CG2-CB 4.16Å; T448-N528 PolarHBondContact OG1-ND2 2.78Å; V449-N528 PolarHBondContact N-O 3.47Å; R513-N528 WeakPolarHBondContact CG-OD1 3.46Å; R513-N528 PolarHBondContact NH1-OD1 3.02Å
529V95.6Very high86Confident7 Ų762.6 Ų62.64%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-90.7118.4177.7-179.60000109.4V451 V453 I508 G511 S512 L514V451-V529 HydrophobicContact CG2-CG1 3.85Å; V453-V529 HydrophobicContact CG1-CG1 3.66Å; I508-V529 HydrophobicContact CG2-CB 4.33Å; I508-V529 HydrophobicContact CG2-CG1 4.07Å; I508-V529 HydrophobicContact CG2-CG2 4.02Å; G511-V529 PolarHBondContact N-O 2.98Å; S512-V529 PolarHBondContact O-N 3.03Å; L514-V529 HydrophobicContact CD1-CG2 3.91Å; L514-V529 HydrophobicContact CG-CG2 4.03Å
530L94.8Very high85.8Confident67 Ų6759 Ų5935%0.35129%0.293SS..EExtended strand (participates in β ladder)trans-103.5112.3170-170.2144.2000108.7T448 V449 K450 V451 N510T448-L530 HydrophobicContact CG2-CB 4.01Å; T448-L530 HydrophobicContact CG2-CD1 4.47Å; V449-L530 PolarHBondContact O-N 3.02Å; K450-L530 CarbonylContact C-O 3.55Å; K450-L530 VanDerWaalsContact CA-O 3.25Å; K450-L530 WeakPolarHBondContact CA-O 3.46Å; K450-L530 HydrophobicContact CB-CB 4.38Å; K450-L530 HydrophobicContact CB-CD2 4Å; K450-L530 HydrophobicContact CD-CD2 3.9Å; K450-L530 HydrophobicContact CG-CD2 3.64Å; V451-L530 PolarHBondContact N-O 3.34Å; N510-L530 WeakPolarHBondContact OD1-CA 3.35Å
531H93.3Very high86.3Confident46 Ų4658 Ų5821%0.21329%0.287CS..EExtended strand (participates in β ladder)trans-79.8129.7-179.6177.640.7000110.5V451 V453 N510V451-H531 WeakPolarHBondContact O-CA 3.29Å; V451-H531 PolarHBondContact O-ND1 3.39Å; V453-H531 HydrophobicContact CG1-CB 4.4Å; V453-H531 HydrophobicContact CG2-CB 4.48Å; V453-H531 PolarHBondContact N-ND1 3.03Å; N510-H531 HydrophobicContact CB-CB 3.85Å; N510-H531 PolarHBondContact OD1-N 3.33Å
532T91Very high86.6Confident22 Ų2260.9 Ų60.914%0.13530%0.3CS..  trans-132.7146.8167.3-174.30000110.3K450 V451 N452 E534 L535K450-T532 HydrophobicContact CD-CG2 4.12Å; K450-T532 HydrophobicContact CG-CG2 3.44Å; K450-T532 VanDerWaalsContact CG-CG2 3.44Å; V451-T532 PolarHBondContact O-N 3.31Å; N452-T532 VanDerWaalsContact CA-O 3.29Å; N452-T532 WeakPolarHBondContact CA-O 3.33Å; N452-T532 VanDerWaalsContact CB-O 3.28Å; N452-T532 WeakPolarHBondContact CB-O 3.33Å; T532-E534 PolarHBondContact OG1-N 3.46Å; T532-E534 PolarHBondContact OG1-O 2.91Å; T532-L535 HydrophobicContact CG2-CD1 4.15Å; T532-L535 HydrophobicContact CG2-CD2 3.63Å; T532-L535 HydrophobicContact CG2-CG 3.54Å
533E87.4Confident86.7Confident133 Ų13356.7 Ų56.762%0.62128%0.278SS*.SBendtrans-92.7-20.2165.7-64.8-176.7-178.100111.5
534E79.6Confident86.4Confident168 Ų16860.2 Ų60.279%0.78530%0.301SS*.  trans-10191.7-178.8-61.5179.1-176.300109T532T532-E534 PolarHBondContact OG1-N 3.46Å; T532-E534 PolarHBondContact OG1-O 2.91Å
535L80.5Confident85.3Confident39 Ų3960.8 Ų60.820%0.20432%0.318CS..  trans-110.5151.6161.3-72.3167.4000108K450 T532 V539 E540 E542K450-L535 HydrophobicContact CG-CD2 4.21Å; T532-L535 HydrophobicContact CG2-CD1 4.15Å; T532-L535 HydrophobicContact CG2-CD2 3.63Å; T532-L535 HydrophobicContact CG2-CG 3.54Å; L535-V539 WeakPolarHBondContact CB-O 3.24Å; L535-E540 WeakPolarHBondContact CD1-O 3.41Å; L535-E542 HydrophobicContact CD2-CG 4.12Å
536E74.3Confident83.6Confident147 Ų14764.1 Ų64.169%0.68733%0.334SS*.  trans-56.6151.3168-67.3-171.1174.200110.2D538 V539E536-D538 PolarHBondContact O-N 3.07Å; E536-V539 HydrophobicContact CB-CB 4.28Å; E536-V539 HydrophobicContact CB-CG2 3.83Å; E536-V539 WeakPolarHBondContact O-CB 3.47Å; E536-V539 PolarHBondContact O-N 3.45Å; E536-V539 VanDerWaalsContact O-N 3.08Å
537R65.1Low80.8Confident92 Ų9266 Ų6635%0.34735%0.353SS..THydrogen-bonded Turntrans-64.9139.5-178.5-177.5179.5178.7138.8-7.3110D210 A212 V539D210-R537 IonicContact OD1-NH2 2.77Å; D210-R537 IonicContact OD2-CZ 2.72Å; D210-R537 IonicContact OD2-NH2 3.91Å; D210-R537 PolarHBondContact OD2-NH2 3.15Å; A212-R537 VanDerWaalsContact CB-NH2 3.3Å; A212-R537 PolarHBondContact O-NH1 3.08Å; A212-R537 PolarHBondContact O-NH2 3.04Å; A212-R537 VanDerWaalsContact O-NH2 3.1Å; R537-V539 PolarHBondContact O-N 3Å
538D67.9Low78Confident95 Ų9572 Ų7251%0.50839%0.393SS..THydrogen-bonded Turntrans66.79.2-174-45.7-32.1000113.7G173 E536G173-D538 WeakPolarHBondContact CA-OD2 3.4Å; G173-D538 PolarHBondContact N-OD2 3.36Å; E536-D538 PolarHBondContact O-N 3.07Å
539V78.2Confident74.9Confident49 Ų4977.2 Ų77.230%0.29742%0.421SS..  trans-103.3114170.8-178.30000109.2L535 E536 R537 F541 E542L535-V539 WeakPolarHBondContact CB-O 3.24Å; E536-V539 HydrophobicContact CB-CB 4.28Å; E536-V539 HydrophobicContact CB-CG2 3.83Å; E536-V539 WeakPolarHBondContact O-CB 3.47Å; E536-V539 PolarHBondContact O-N 3.45Å; E536-V539 VanDerWaalsContact O-N 3.08Å; R537-V539 PolarHBondContact O-N 3Å; V539-F541 WeakPolarHBondContact CG1-O 3.37Å; V539-E542 HydrophobicContact CG1-CG 3.91Å
540E83.6Confident71.9Confident72 Ų7283.5 Ų83.534%0.33645%0.448SS..  trans-85.7-28.9179.5-66.8-175.117200113.1C460 K464 L535C460-E540 PolarHBondContact SG-OE2 3.37Å; K464-E540 WeakPolarHBondContact CD-OE2 3.48Å; K464-E540 IonicContact NZ-OE1 2.79Å; K464-E540 PolarHBondContact NZ-OE1 3.41Å; K464-E540 IonicContact NZ-OE2 2.74Å; K464-E540 PolarHBondContact NZ-OE2 3.03Å; K464-E540 VanDerWaalsContact NZ-OE2 3.14Å; L535-E540 WeakPolarHBondContact CD1-O 3.41Å
541F90.1Very high68.7Low43 Ų4384.5 Ų84.519%0.18947%0.465CS..EExtended strand (participates in β ladder)trans-156.6157.9179.367.9-87.7000112V449 K450 V451 K464 I465 R469 V539 V543V449-F541 HydrophobicContact CG1-CB 4Å; V449-F541 HydrophobicContact CG1-CD2 4.12Å; V449-F541 HydrophobicContact CG1-CG 4.42Å; K450-F541 CarbonylContact O-C 3.54Å; K450-F541 VanDerWaalsContact O-CA 3.26Å; K450-F541 WeakPolarHBondContact O-CA 3.49Å; V451-F541 HydrophobicContact CG1-CB 3.63Å; K464-F541 HydrophobicContact CB-CE1 4.27Å; I465-F541 HydrophobicContact CD1-CB 4.09Å; I465-F541 HydrophobicContact CD1-CD1 4.05Å; I465-F541 HydrophobicContact CD1-CG 4.03Å; I465-F541 HydrophobicContact CG1-CB 4.45Å; I465-F541 HydrophobicContact CG1-CD1 3.56Å; I465-F541 HydrophobicContact CG1-CD2 4.28Å; I465-F541 HydrophobicContact CG1-CE1 3.77Å; I465-F541 HydrophobicContact CG1-CE2 4.49Å; I465-F541 HydrophobicContact CG1-CG 3.83Å; I465-F541 HydrophobicContact CG1-CZ 4.24Å; R469-F541 HydrophobicContact CB-CE2 3.99Å; R469-F541 HydrophobicContact CB-CZ 3.75Å; R469-F541 HydrophobicContact CG-CE2 3.71Å; R469-F541 HydrophobicContact CG-CZ 4.01Å; V539-F541 WeakPolarHBondContact CG1-O 3.37Å; F541-V543 HydrophobicContact CD2-CG2 4.36Å; F541-V543 HydrophobicContact CE2-CG2 4.32Å
542E88.4Confident65.7Low62 Ų6287.9 Ų87.929%0.2949%0.491SS..EExtended strand (participates in β ladder)trans-130.6140.3172.4-67.6166.5-172.900109.6V449 K450 L535 V539V449-E542 CarbonylContact C-O 3.55Å; V449-E542 WeakPolarHBondContact CA-O 3.28Å; K450-E542 HydrophobicContact CB-CB 4.24Å; K450-E542 WeakPolarHBondContact CD-OE2 3.1Å; K450-E542 PolarHBondContact N-O 3.26Å; K450-E542 IonicContact NZ-OE1 3.85Å; K450-E542 IonicContact NZ-OE2 2.84Å; K450-E542 PolarHBondContact NZ-OE2 3.07Å; K450-E542 PolarHBondContact O-N 2.84Å; L535-E542 HydrophobicContact CD2-CG 4.12Å; V539-E542 HydrophobicContact CG1-CG 3.91Å
543V87.2Confident62.9Low20 Ų2092.3 Ų92.312%0.12152%0.521CS..EExtended strand (participates in β ladder)trans-95.9118.7173.4-175.90000109R469 F470 F541 G545 E546R469-V543 HydrophobicContact CG-CG2 4.29Å; F470-V543 HydrophobicContact CZ-CG1 4.37Å; F470-V543 HydrophobicContact CZ-CG2 4.01Å; F541-V543 HydrophobicContact CD2-CG2 4.36Å; F541-V543 HydrophobicContact CE2-CG2 4.32Å; V543-G545 PolarHBondContact O-N 2.87Å; V543-E546 HydrophobicContact CB-CG 4.07Å; V543-E546 HydrophobicContact CG1-CG 3.94Å; V543-E546 PolarHBondContact O-N 3.1Å
544V83.6Confident60.2Low85 Ų8591.4 Ų91.452%0.51553%0.526SS..EExtended strand (participates in β ladder)trans-70.4127.4-178.4-177.30000109.2T448 K450T448-V544 HydrophobicContact CG2-CB 4.27Å; T448-V544 HydrophobicContact CG2-CG2 3.84Å; T448-V544 PolarHBondContact O-N 3.29Å; K450-V544 HydrophobicContact CB-CG2 4.43Å
545G70.5Confident57.8Low72 Ų7292.9 Ų92.974%0.74253%0.533SS*.THydrogen-bonded Turntrans97.8-0.5-178.600000115.1V543V543-G545 PolarHBondContact O-N 2.87Å
546E57.8Low55.3Low70 Ų7096.6 Ų96.633%0.32756%0.558SS.*  trans-90.5-7.4172.5-70.7-168.9163.100113.9R469 V543R469-E546 IonicContact CZ-OE1 2.73Å; R469-E546 IonicContact CZ-OE2 2.73Å; R469-E546 IonicContact NH1-OE1 3.5Å; R469-E546 PolarHBondContact NH1-OE1 3.29Å; R469-E546 IonicContact NH1-OE2 2.67Å; R469-E546 PolarHBondContact NH1-OE2 3.39Å; R469-E546 IonicContact NH2-OE1 2.81Å; R469-E546 PolarHBondContact NH2-OE1 2.82Å; R469-E546 IonicContact NH2-OE2 3.59Å; V543-E546 HydrophobicContact CB-CG 4.07Å; V543-E546 HydrophobicContact CG1-CG 3.94Å; V543-E546 PolarHBondContact O-N 3.1Å
547A36.8Very low53.1Low67 Ų6797.9 Ų97.955%0.55457%0.569SS**SBendtrans-82.4140.8172.900000111.4D549A547-D549 PolarHBondContact O-N 3.19Å
548P37.5Very low51.4Low130 Ų130102 Ų10284%0.84459%0.592SS**  trans-77.672.6170.134.3-31.7000108.3
549D28.9Very low49.4Very low135 Ų135106.9 Ų106.972%0.72261%0.612SS**  trans-130.8125.9173.4-88.1-41.2000111.7A547 A551A547-D549 PolarHBondContact O-N 3.19Å; D549-A551 PolarHBondContact O-N 2.9Å
550K34.4Very low46.9Very low140 Ų140112.6 Ų112.661%0.60964%0.635SS**  trans-31.8102.9160.9-67.7168.2173-179.80109.9D640K550-D640 WeakPolarHBondContact CD-OD2 3.48Å; K550-D640 WeakPolarHBondContact CE-OD1 3.32Å; K550-D640 VanDerWaalsContact CE-OD2 3.3Å; K550-D640 WeakPolarHBondContact CE-OD2 3.43Å; K550-D640 VanDerWaalsContact NZ-CB 3.35Å; K550-D640 IonicContact NZ-OD1 4Å; K550-D640 PolarHBondContact NZ-OD1 2.91Å; K550-D640 IonicContact NZ-OD2 3.23Å; K550-D640 PolarHBondContact NZ-OD2 3.3Å
551A26.5Very low44.1Very low87 Ų87116.1 Ų116.172%0.71966%0.661SS**PPolyproline II helixtrans-101.3133.2160.300000107.9D549D549-A551 PolarHBondContact O-N 2.9Å
552P30.7Very low41Very low117 Ų117121 Ų12176%0.7669%0.69SS**PPolyproline II helixtrans-70.6147.4-171.229.6-33.6000110.7
553P32.9Very low37.9Very low116 Ų116123.7 Ų123.775%0.75372%0.715SS**PPolyproline II helixtrans-68149.5-179.425.2-30.8000111.9
554P30.3Very low35Very low113 Ų113130.3 Ų130.373%0.73475%0.748SS**PPolyproline II helixtrans-66134.4-179.625.5-31.6000111.4T556P554-T556 PolarHBondContact O-N 3.28Å; P554-T556 VanDerWaalsContact O-N 3.15Å
555Q28.7Very low32.2Very low199 Ų199133 Ų13393%0.9377%0.765SS**  trans-57.8115.4173.6-72.7178.6-17.200110.4
556T27.4Very low30Very low118 Ų118137.8 Ų137.872%0.72477%0.774SS**  trans-109.4118.9166.834.90000108.9P554 Q558P554-T556 PolarHBondContact O-N 3.28Å; P554-T556 VanDerWaalsContact O-N 3.15Å; T556-Q558 PolarHBondContact O-N 3.21Å
557N29.1Very low28.4Very low173 Ų173137.9 Ų137.993%0.92579%0.793SS**PPolyproline II helixtrans-57.7118.4170.9-79.5-23.3000109.6
558Q27.8Very low28Very low179 Ų179142.6 Ų142.684%0.83681%0.809SS**PPolyproline II helixtrans-87.3119170.9-69.9-180100109.7T556T556-Q558 PolarHBondContact O-N 3.21Å
559E26.1Very low27.4Very low198 Ų198145.4 Ų145.493%0.92581%0.808SS**PPolyproline II helixtrans-97.1121.1149.5-81-173.216100107.7
560E25.5Very low27.2Very low168 Ų168146.8 Ų146.879%0.78582%0.816SS**PPolyproline II helixtrans-70.4133.2177.4-67.3-179.2143.400112
561V25.8Very low26.7Very low146 Ų146145 Ų14589%0.88582%0.821SS**  trans-141115.9144.9-175.10000109.9
562N25.3Very low26.6Very low146 Ų146145.8 Ų145.878%0.78183%0.828SS**  trans-65.3134.3173.2-79.9-48.9000113
563S24Very low26.3Very low119 Ų119149.2 Ų149.283%0.83283%0.833SS**  trans-158.9124.714164.20000112.5
564I25.8Very low25.9Very low159 Ų159149.3 Ų149.382%0.81583%0.834SS**  trans-72.4135.5179-64.1158.8000110.9
565T24.8Very low25.6Very low142 Ų142149.9 Ų149.987%0.87184%0.84SS**  trans-169.2138.5133.737.30000113.6
566N24.6Very low25.4Very low171 Ų171146.8 Ų146.891%0.91484%0.836SS**  trans-38.9143.3176.6-76.5-27.9000118.3
567G22.9Very low25.3Very low72 Ų72144.5 Ų144.574%0.74282%0.824SS**  trans171.288.4159.900000115.8
568N28Very low25.1Very low166 Ų166141.1 Ų141.189%0.88881%0.814SS**  trans11113.7152.3-143.335000118.7
569K25.4Very low25.1Very low189 Ų189143.1 Ų143.182%0.82282%0.82SS**  trans-146112162.6-86.8-172.3177.6177.30111.8
570D25.9Very low25Very low165 Ų165137.4 Ų137.488%0.88281%0.807SS**  trans-78110.3154-83.5-39.8000108.4
571S23.5Very low25Very low102 Ų102134 Ų13471%0.71381%0.808SS**  trans-161.790.9161.856.90000109.4
572A23.5Very low25.1Very low104 Ų104130.4 Ų130.486%0.8679%0.793SS**PPolyproline II helixtrans-94.6116.9165.800000108.7
573Q23.9Very low25.4Very low188 Ų188129.6 Ų129.688%0.87979%0.788SS**PPolyproline II helixtrans-79.6138.3160.1-70.9-179.2-68.800108
574P25.6Very low26.2Very low118 Ų118127.3 Ų127.377%0.76677%0.767SS**PPolyproline II helixtrans-92.1127.9165.922.1-8.5000110.9
575S24.2Very low27.4Very low125 Ų125121.8 Ų121.887%0.87474%0.739SS**PPolyproline II helixtrans-72.9140.7166.6-54.60000110.2
576T24.4Very low28.8Very low135 Ų135116.6 Ų116.683%0.82871%0.706SS**  trans-106.2118.4-175.752.70000111.4
577S26.1Very low30.2Very low70 Ų70109.4 Ų109.449%0.4967%0.667SS.*  trans-16499.8158.757.30000112.1I642S577-I642 WeakPolarHBondContact OG-CD1 3.37Å; S577-I642 WeakPolarHBondContact OG-CG1 3.34Å
578S23.9Very low31.8Very low101 Ų101110.3 Ų110.371%0.70665%0.653SS**  trans-151.4139.1152.159.30000109.3A580S578-A580 PolarHBondContact O-N 3Å
579K28.7Very low32.8Very low222 Ų222107.2 Ų107.297%0.96564%0.636SS**  trans-82.8107.1-173-82.6177.4173175.20110.1
580A23Very low33.6Very low78 Ų78101.7 Ų101.765%0.64562%0.618SS**  trans-103.7154152.100000109.1S578 A582S578-A580 PolarHBondContact O-N 3Å; A580-A582 PolarHBondContact O-N 3.35Å
581A26Very low34.2Very low97 Ų97100.2 Ų100.280%0.80261%0.61SS**  trans-54.1113.2-178.900000110.4D583A581-D583 PolarHBondContact O-N 3.08Å; A581-D583 VanDerWaalsContact O-N 3.08Å
582A27.9Very low34.8Very low69 Ų6998.3 Ų98.357%0.5760%0.597SS**  trans-66.4107.2176.100000109.1K169 A580K169-A582 PolarHBondContact NZ-O 3.47Å; A580-A582 PolarHBondContact O-N 3.35Å
583D31.9Very low35.2Very low129 Ų129100.2 Ų100.269%0.6959%0.592SS**  trans-75.7143162.6-82.4-23.2000109.1A581 D585A581-D583 PolarHBondContact O-N 3.08Å; A581-D583 VanDerWaalsContact O-N 3.08Å; D583-D585 PolarHBondContact O-N 3.16Å
584D39.2Very low35.6Very low72 Ų7298.6 Ų98.639%0.38559%0.585SS.*SBendtrans-69.824.8-169.3-112.3-0.2000114.3
585D51Low35.8Very low42 Ų4299.8 Ų99.823%0.22558%0.58CS.*  trans-100.4138.1-167.2-70.5-29.9000113.1A143 I381 D583 I587A143-D585 WeakPolarHBondContact CB-OD2 3.33Å; I381-D585 VanDerWaalsContact CD1-OD1 3.28Å; I381-D585 WeakPolarHBondContact CD1-OD1 3.39Å; D583-D585 PolarHBondContact O-N 3.16Å; D585-I587 HydrophobicContact CB-CB 4.36Å; D585-I587 HydrophobicContact CB-CG1 4.27Å; D585-I587 PolarHBondContact O-N 2.85Å
586D54.9Low36Very low33 Ų33101 Ų10118%0.17658%0.582CS.*SBendtrans-64.58.3169.9-79.4-27.6000113.6R123 Q148 Y160 K165R123-D586 IonicContact CZ-OD2 2.79Å; R123-D586 IonicContact NH1-OD2 3.85Å; R123-D586 PolarHBondContact NH1-OD2 2.87Å; Q148-D586 PolarHBondContact NE2-O 3.42Å; Y160-D586 PolarHBondContact OH-OD2 3.49Å; K165-D586 WeakPolarHBondContact CB-OD1 3.46Å; K165-D586 WeakPolarHBondContact CG-OD1 3.48Å
587I54.8Low36Very low21 Ų2198 Ų9811%0.10858%0.577CS.*  trans-94.9114.4-177.7-51.9-161.3000109.1T142 A143 L146 D585 I589T142-I587 VanDerWaalsContact C-CD1 3.41Å; A143-I587 HydrophobicContact CB-CD1 3.44Å; A143-I587 VanDerWaalsContact CB-CD1 3.44Å; A143-I587 HydrophobicContact CB-CG1 4.31Å; L146-I587 HydrophobicContact CB-CD1 4.35Å; L146-I587 HydrophobicContact CB-CG2 4.07Å; D585-I587 HydrophobicContact CB-CB 4.36Å; D585-I587 HydrophobicContact CB-CG1 4.27Å; D585-I587 PolarHBondContact O-N 2.85Å; I587-I589 PolarHBondContact O-N 2.97Å
588M56.5Low35.9Very low90 Ų9099.4 Ų99.444%0.44359%0.593SS.*  trans-74.7119.8173.4-54-126.2-6600109.4F414F414-M588 WeakPolarHBondContact CD1-O 3.23Å; F414-M588 HydrophobicContact CE1-CB 3.84Å; F414-M588 HydrophobicContact CZ-CB 4.32Å
589I47.4Very low36.2Very low101 Ų101100.6 Ų100.652%0.51860%0.599SS.*  trans-88.7127.1173.2-56.1-179000107.8L146 I587 D591L146-I589 HydrophobicContact CD1-CD1 3.85Å; L146-I589 HydrophobicContact CD1-CG1 3.99Å; I587-I589 PolarHBondContact O-N 2.97Å; I589-D591 WeakPolarHBondContact CG2-OD1 3.36Å
590V44.2Very low36.1Very low74 Ų7495.5 Ų95.545%0.44859%0.591SS.*  trans-99.294.9172-1760000107.7F414F414-V590 HydrophobicContact CD2-CG2 4.47Å
591D36.9Very low36.1Very low133 Ų13397.8 Ų97.871%0.71160%0.602SS**  trans-83.5157.8173.9-76.7-27.6000111.9I589I589-D591 WeakPolarHBondContact CG2-OD1 3.36Å
592S36.8Very low36.1Very low63 Ų6398.8 Ų98.844%0.44160%0.603SS.*  trans-134.1123.3179.657.80000110.1
593D32Very low35.9Very low143 Ų143100.3 Ų100.377%0.76562%0.616SS**  trans-57.9140-176.2-52-48.8000113.8
594E32.2Very low35.7Very low155 Ų15598.7 Ų98.772%0.72462%0.62SS**  trans-137.7119.9164.4-74.8-165.216400111.1
595E30.3Very low35.3Very low142 Ų142101 Ų10166%0.66464%0.64SS**  trans-110.4137.6162.1-83.5-160.814100110.8L645E595-L645 WeakPolarHBondContact OE1-CB 3.35Å; E595-L645 WeakPolarHBondContact OE1-CD1 3.32Å
596V27.4Very low34.2Very low151 Ų151104.8 Ų104.892%0.91567%0.667SS**  trans-147.8125.8155.9-171.40000109.7
597G24.7Very low32.9Very low71 Ų71109.7 Ų109.773%0.73270%0.698SS**  trans-102.2170.4-163.700000120.9
598A24.8Very low31.5Very low100 Ų100113 Ų11383%0.82673%0.729SS**  trans64.5157.4149.900000121.2
599P28.9Very low30Very low126 Ų126114.5 Ų114.582%0.81874%0.743SS**  cis-135.3176.311.739.2-18.4000118.2
600S26.5Very low29Very low116 Ų116118.5 Ų118.581%0.81176%0.756SS**  trans-54.3156-175.860.40000120.2
601S24.3Very low28Very low125 Ų125125.8 Ų125.887%0.87478%0.776SS**  trans-158.1146131.863.60000113.3
602S25.7Very low27.5Very low118 Ų118129.8 Ų129.883%0.82579%0.787SS**  trans-89.1149-170.853.60000114.8
603A24Very low26.9Very low102 Ų102135.2 Ų135.284%0.84381%0.805SS**  trans-174127.5137.100000112.6
604A27.5Very low26.5Very low94 Ų94137.6 Ų137.678%0.77781%0.811SS**  trans-86162.1163.900000110.8
605P30.1Very low26.1Very low122 Ų122138.8 Ų138.879%0.79282%0.817SS**  -150.7-161.9106.243.5-24.5000112.7
606P28.3Very low25.9Very low121 Ų121140.1 Ų140.179%0.78683%0.829SS**  -115.2176.4-101.330.7-9000115.1
607T27.5Very low25.8Very low136 Ų136138.2 Ų138.283%0.83482%0.822SS**  trans-66.3151-175.442.80000116.8
608A25.3Very low26.1Very low91 Ų91143.5 Ų143.575%0.75283%0.828SS**  trans-158.697.8141.400000113.8
609T25.4Very low26.2Very low121 Ų121145.7 Ų145.774%0.74283%0.831SS**  trans55.5110.5130.645.20000124.2
610K25.8Very low26.5Very low184 Ų184143.3 Ų143.380%0.883%0.83SS**  62.1112.5113.2-77.8-175.6179.7179.20119.9
611R24.2Very low26.7Very low228 Ų228146.3 Ų146.386%0.8683%0.831SS**  162.4120.392-106163.8179.2177.90.1111.9
612K25.1Very low26.7Very low216 Ų216147.2 Ų147.294%0.93983%0.831SS**  -153.698.8127.4-119.2-178179.5-174.10109.3
613H25.4Very low27.1Very low178 Ų178146.3 Ų146.382%0.82483%0.825SS**  trans-82.1130160-103.9-79.5000107
614Q23.3Very low27.5Very low192 Ų192148.3 Ų148.390%0.89783%0.827SS**  trans-168.590.3134.8-128.2174.3-12.700109.2
615E23.5Very low27.9Very low181 Ų181152.3 Ų152.385%0.84683%0.827SS**  trans-170.1101.8147.7-108.6168.1-163.400105.9
616D26Very low28.2Very low169 Ų169158.2 Ų158.290%0.90483%0.833SS**  trans-177.1111.4146.2-98.2-17.7000108.6
617S26Very low28.6Very low111 Ų111158.1 Ų158.178%0.77683%0.833SS**  trans-150.6110.6139.862.70000109.6
618E31.5Very low28.7Very low182 Ų182161.1 Ų161.185%0.8583%0.829SS**SBendtrans65.985150.3-60.2-176.3163.200117.6
619T25.9Very low29.6Very low146 Ų146163.4 Ų163.490%0.89683%0.834SS**  -171.6132.610931.60000107.5E621T619-E621 PolarHBondContact O-N 3.38Å
620G34.8Very low30.6Very low77 Ų77164.7 Ų164.779%0.79484%0.836SS**  trans-66.5131.6-171.800000113
621E30.7Very low31Very low178 Ų178163 Ų16383%0.83283%0.831SS**  trans177.1140.5139.7-100.6169-176.400109.1T619T619-E621 PolarHBondContact O-N 3.38Å
622T25.6Very low31.9Very low145 Ų145158 Ų15889%0.8983%0.831SS**  trans76.5136.2178.676.60000115.9
623S32.9Very low32.3Very low99 Ų99152.5 Ų152.569%0.69283%0.825SS**  cis-146.5110.117.91780000110.8K625S623-K625 VanDerWaalsContact C-N 3.29Å; S623-K625 PolarHBondContact O-N 2.98Å; S623-K625 VanDerWaalsContact O-N 3.12Å
624T32.3Very low33.2Very low143 Ų143148.1 Ų148.188%0.87782%0.82SS**  trans-74.274.8163.841.30000110
625K36.5Very low34.2Very low178 Ų178145.7 Ų145.777%0.77481%0.813SS**  trans-123.398159.5-79.5-169172.8-172.50108.9S623S623-K625 VanDerWaalsContact C-N 3.29Å; S623-K625 PolarHBondContact O-N 2.98Å; S623-K625 VanDerWaalsContact O-N 3.12Å
626R36.4Very low34.8Very low246 Ų246144.9 Ų144.993%0.92882%0.815SS**  trans84.5100.6-176.3-56.9178.9175.9-179.2-1.9113.8
627P35.8Very low35.6Very low120 Ų120143.2 Ų143.278%0.77981%0.806SS**  -145.713772.536.1-17.8000116.3
628R30.4Very low36.6Very low199 Ų199144.1 Ų144.175%0.75180%0.802SS**  -172.689.9125.7-108.8180173.7172.9-2.7108.9
629T44.1Very low37.5Very low139 Ų139142.1 Ų142.185%0.85380%0.797SS**SBendtrans-62.7131.4148.714.50000107.4
630D45.7Very low39.1Very low148 Ų148139.6 Ų139.679%0.79178%0.778SS**SBendtrans6786.9179.8-63.2-25000117.3
631Q34.4Very low40.6Very low148 Ų148142.2 Ų142.269%0.69277%0.774SS**  trans-164.6120.4132.5-107.2158.933.500111.5A633Q631-A633 PolarHBondContact O-N 3.48Å
632S44Very low42.6Very low124 Ų124138.6 Ų138.687%0.86776%0.759SS**  trans-60.5114.2169.253.80000111.6
633A33Very low45.1Very low99 Ų99137.9 Ų137.982%0.81875%0.749SS**  trans-171.4141.6149.400000109.9Q631Q631-A633 PolarHBondContact O-N 3.48Å
634A45.2Very low47.1Very low87 Ų87137 Ų13772%0.71975%0.748SS**  trans-51.6159.4-175.600000116.6
635D42.7Very low49.2Very low140 Ų140136.2 Ų136.275%0.74974%0.737SS**  trans78.365.5158.5-56.4-18000117.7
636N37.3Very low49.6Very low164 Ų164137 Ų13788%0.87775%0.75SS**  trans-160.893.4141.7-86.6-36.5000108.1D638N636-D638 PolarHBondContact O-N 2.96Å; N636-D638 VanDerWaalsContact O-N 3.11Å
637D42.7Very low50.2Low135 Ų135131.6 Ų131.672%0.72274%0.741SS**  trans-71.395.6176.8-69.9-36.3000109.9D639D637-D639 PolarHBondContact O-N 3.17Å; D637-D639 VanDerWaalsContact O-N 3.08Å
638D46.1Very low51Low130 Ų130132.2 Ų132.270%0.69574%0.739SS**  trans-73.281.3152.6-85-36.4000106.5N636 D640N636-D638 PolarHBondContact O-N 2.96Å; N636-D638 VanDerWaalsContact O-N 3.11Å; D638-D640 PolarHBondContact O-N 3.48Å
639D52.1Low52.1Low139 Ų139128.4 Ų128.474%0.74374%0.738SS**THydrogen-bonded Turntrans-61.44.7-174.1-89.8-29.3000115.3D637D637-D639 PolarHBondContact O-N 3.17Å; D637-D639 VanDerWaalsContact O-N 3.08Å
640D57.6Low52.6Low94 Ų94127.8 Ų127.850%0.50373%0.732SS.*THydrogen-bonded Turntrans-132.917.5-166.1-85.2-33.6000114.7K550 D638 I642K550-D640 WeakPolarHBondContact CD-OD2 3.48Å; K550-D640 WeakPolarHBondContact CE-OD1 3.32Å; K550-D640 VanDerWaalsContact CE-OD2 3.3Å; K550-D640 WeakPolarHBondContact CE-OD2 3.43Å; K550-D640 VanDerWaalsContact NZ-CB 3.35Å; K550-D640 IonicContact NZ-OD1 4Å; K550-D640 PolarHBondContact NZ-OD1 2.91Å; K550-D640 IonicContact NZ-OD2 3.23Å; K550-D640 PolarHBondContact NZ-OD2 3.3Å; D638-D640 PolarHBondContact O-N 3.48Å; D640-I642 PolarHBondContact O-N 3.24Å
641D67.7Low53.1Low132 Ų132126.6 Ų126.671%0.70673%0.728SS**  trans-78.987175.2-92.9-5.2000111.3
642I72.1Confident54.3Low101 Ų101125.1 Ų125.152%0.51873%0.73SS.*  trans-86.8110.8166.9-61.6151.4000108.3S577 D640S577-I642 WeakPolarHBondContact OG-CD1 3.37Å; S577-I642 WeakPolarHBondContact OG-CG1 3.34Å; D640-I642 PolarHBondContact O-N 3.24Å
643I77.9Confident55Low130 Ų130125.2 Ų125.267%0.66772%0.721SS**  trans-97.4111.6170.9-56.5176.7000107.5L645I643-L645 HydrophobicContact CG2-CD2 3.85Å; I643-L645 HydrophobicContact CG2-CG 4.42Å; I643-L645 PolarHBondContact O-N 2.87Å
644A74.9Confident56.7Low81 Ų81127.2 Ų127.267%0.66971%0.713SS**  trans-67.8119.9165.500000108.3
645L75.7Confident57.7Low126 Ų126130.6 Ų130.666%0.6671%0.713SS**  trans-92.9-9.9-177.2-67.1170.7000112.1E595 I643E595-L645 WeakPolarHBondContact OE1-CB 3.35Å; E595-L645 WeakPolarHBondContact OE1-CD1 3.32Å; I643-L645 HydrophobicContact CG2-CD2 3.85Å; I643-L645 HydrophobicContact CG2-CG 4.42Å; I643-L645 PolarHBondContact O-N 2.87Å
646D45.4Very low59.1Low195 Ų195129.7 Ų129.7100%1.04371%0.709SS**  trans-140.30179.353.4-15.7000114.4

Retrieved 646 of 646 residues in 221.1 ms (Link to these results)

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