A0A087YMT7_POEFO Loading...

NADH:ubiquinone oxidoreductase complex assembly factor 2

AlphaFold DB , UniProt , Accession A0A087YMT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 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
1M48.1Very low60.6Low233 Ų233111.8 Ų111.8100%1.14856%0.559SS**  098.40-67.9-66.8-103.400109.1R3M1-R3 PolarHBondContact O-N 2.97Å
2S53.5Low60.3Low78 Ų78116.8 Ų116.855%0.54558%0.575SS.*  trans-68.3122.2-170.1-1680000111.9I4 A5S2-I4 PolarHBondContact O-N 3.31Å; S2-A5 PolarHBondContact O-N 3.45Å
3R62.8Low60.7Low227 Ų227110.2 Ų110.286%0.85756%0.555SS**Hα-helixtrans-62.2-28.5-178.6-69.1-178.1173.9173.9-1.7112.8M1 G6 L7M1-R3 PolarHBondContact O-N 2.97Å; R3-G6 PolarHBondContact O-N 2.86Å; R3-L7 PolarHBondContact O-N 3.09Å
4I63.8Low61.4Low117 Ų117108.3 Ų108.360%0.655%0.546SS*.Hα-helixtrans-66.3-41.8-179.7-63157.7000110.9S2 G6 L7 L8S2-I4 PolarHBondContact O-N 3.31Å; I4-G6 PolarHBondContact O-N 3.45Å; I4-L7 PolarHBondContact O-N 3.34Å; I4-L8 HydrophobicContact CG2-CD1 4.21Å; I4-L8 PolarHBondContact O-N 3.22Å; I4-L8 VanDerWaalsContact O-N 3.17Å
5A62.1Low62.8Low20 Ų20102.9 Ų102.917%0.16552%0.521CS..Hα-helixtrans-63.4-31.8176.700000112S2 R9S2-A5 PolarHBondContact O-N 3.45Å; A5-R9 WeakPolarHBondContact O-CB 3.47Å; A5-R9 VanDerWaalsContact O-CG 3.27Å; A5-R9 WeakPolarHBondContact O-CG 3.28Å; A5-R9 PolarHBondContact O-N 3.25Å; A5-R9 VanDerWaalsContact O-N 3.07Å; A5-R9 PolarHBondContact O-NE 3.5Å
6G62.1Low64.4Low36 Ų36104.6 Ų104.637%0.37152%0.519SS..Hα-helixtrans-66.6-37.5176.100000113.9R3 I4R3-G6 PolarHBondContact O-N 2.86Å; I4-G6 PolarHBondContact O-N 3.45Å
7L62.2Low65.9Low119 Ų119103.4 Ų103.462%0.62351%0.512SS*.Hα-helixtrans-69.6-44.9175.9-83.1156.9000111.4R3 I4 R9 R10 T11R3-L7 PolarHBondContact O-N 3.09Å; I4-L7 PolarHBondContact O-N 3.34Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 3.02Å; L7-R10 WeakPolarHBondContact O-CB 3.27Å; L7-R10 PolarHBondContact O-N 3.07Å; L7-T11 PolarHBondContact O-N 3.17Å; L7-T11 PolarHBondContact O-OG1 3.38Å
8L63.5Low67.4Low75 Ų75103.5 Ų103.539%0.39351%0.51SS..Hα-helixtrans-62.2-37.2177.8-67172000112.5I4 R10 T11 F12 V15I4-L8 HydrophobicContact CG2-CD1 4.21Å; I4-L8 PolarHBondContact O-N 3.22Å; I4-L8 VanDerWaalsContact O-N 3.17Å; L8-R10 PolarHBondContact O-N 3.39Å; L8-T11 PolarHBondContact O-N 3.47Å; L8-F12 HydrophobicContact CD2-CD2 3.61Å; L8-F12 HydrophobicContact CD2-CE2 3.88Å; L8-F12 PolarHBondContact O-N 3.23Å; L8-V15 HydrophobicContact CB-CG2 4.09Å
9R65.1Low68.8Low55 Ų55100.8 Ų100.821%0.20850%0.5CS..Hα-helixtrans-58.7-29.4172.8-79.6-172.5-93-100.75.5113.2A5 L7 V15 E17A5-R9 WeakPolarHBondContact O-CB 3.47Å; A5-R9 VanDerWaalsContact O-CG 3.27Å; A5-R9 WeakPolarHBondContact O-CG 3.28Å; A5-R9 PolarHBondContact O-N 3.25Å; A5-R9 VanDerWaalsContact O-N 3.07Å; A5-R9 PolarHBondContact O-NE 3.5Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 3.02Å; R9-V15 HydrophobicContact CB-CG2 4.2Å; R9-V15 HydrophobicContact CG-CB 3.74Å; R9-V15 HydrophobicContact CG-CG2 3.52Å; R9-E17 IonicContact NH1-OE1 2.86Å; R9-E17 PolarHBondContact NH1-OE1 3.49Å; R9-E17 VanDerWaalsContact NH1-OE1 3.16Å
10R61Low70Confident178 Ų17896.5 Ų96.567%0.67248%0.483SS*.Hα-helixtrans-87.3-29.5-176.9-161.1171179.7162.4-1.8112.5L7 L8 W37L7-R10 WeakPolarHBondContact O-CB 3.27Å; L7-R10 PolarHBondContact O-N 3.07Å; L8-R10 PolarHBondContact O-N 3.39Å; R10-W37 HydrophobicContact CG-CE3 4.42Å; R10-W37 HydrophobicContact CG-CZ3 4.32Å
11T62.1Low71.1Confident92 Ų9295 Ų9556%0.56448%0.478SS*.Hα-helixtrans-105.9-32.2-172.258.90000114.8L7 L8L7-T11 PolarHBondContact O-N 3.17Å; L7-T11 PolarHBondContact O-OG1 3.38Å; L8-T11 PolarHBondContact O-N 3.47Å
12F58.1Low73.2Confident172 Ų17284.4 Ų84.475%0.75443%0.427SS*.SBendtrans-113.48.6-170.5-69-76.3000115L8L8-F12 HydrophobicContact CD2-CD2 3.61Å; L8-F12 HydrophobicContact CD2-CE2 3.88Å; L8-F12 PolarHBondContact O-N 3.23Å
13G64.6Low74.8Confident31 Ų3185.1 Ų85.132%0.3242%0.421SS..SBendtrans86.5-149.2179.900000113.3V15 Q34G13-V15 PolarHBondContact O-N 3.31Å; G13-V15 VanDerWaalsContact O-N 3.09Å; G13-Q34 PolarHBondContact O-OE1 3.24Å
14I71.4Confident75.9Confident83 Ų8378.1 Ų78.143%0.42640%0.4SS..SBendtrans-68.2106.2-171.3-60.4166000110I31 T36 V42I14-I31 HydrophobicContact CG2-CD1 4Å; I14-I31 HydrophobicContact CG2-CG1 4.28Å; I14-I31 HydrophobicContact CG2-CG2 3.59Å; I14-T36 HydrophobicContact CG1-CG2 4.23Å; I14-V42 HydrophobicContact CD1-CG2 4.33Å; I14-V42 HydrophobicContact CG1-CG2 4.32Å
15V81.6Confident77.1Confident28 Ų2874.3 Ų74.317%0.1739%0.39CS..PPolyproline II helixtrans-76.6128.4174.5176.40000109.6L8 R9 G13 Q34L8-V15 HydrophobicContact CB-CG2 4.09Å; R9-V15 HydrophobicContact CB-CG2 4.2Å; R9-V15 HydrophobicContact CG-CB 3.74Å; R9-V15 HydrophobicContact CG-CG2 3.52Å; G13-V15 PolarHBondContact O-N 3.31Å; G13-V15 VanDerWaalsContact O-N 3.09Å; V15-Q34 VanDerWaalsContact N-OE1 3.07Å; V15-Q34 PolarHBondContact O-NE2 3Å; V15-Q34 VanDerWaalsContact O-NE2 3.13Å
16R88.3Confident78.6Confident129 Ų12973.8 Ų73.849%0.48739%0.385SS..PPolyproline II helixtrans-103.9132.8173.2-55.1179.1-173.7-176.6-0.1108.5Y29 I31 M47 E49R16-Y29 HydrophobicContact CB-CD1 4.12Å; R16-Y29 HydrophobicContact CB-CG 4.47Å; R16-I31 HydrophobicContact CG-CD1 4.27Å; R16-I31 HydrophobicContact CG-CG1 3.99Å; R16-M47 HydrophobicContact CG-CE 4.45Å; R16-E49 IonicContact NH1-OE1 3.51Å; R16-E49 PolarHBondContact NH1-OE1 3.07Å
17E91Very high80.1Confident85 Ų8576.9 Ų76.940%0.39739%0.388SS..EExtended strand (participates in β ladder)trans-100.8122.3175.3-66177.2-17700108.4R9 V19 Y29 S30R9-E17 IonicContact NH1-OE1 2.86Å; R9-E17 PolarHBondContact NH1-OE1 3.49Å; R9-E17 VanDerWaalsContact NH1-OE1 3.16Å; E17-V19 PolarHBondContact O-N 3.3Å; E17-Y29 CarbonylContact O-C 3.52Å; E17-Y29 VanDerWaalsContact O-CA 3.26Å; E17-Y29 WeakPolarHBondContact O-CA 3.4Å; E17-S30 PolarHBondContact N-O 2.79Å; E17-S30 PolarHBondContact O-N 3.37Å
18H92.6Very high81.7Confident105 Ų10571.2 Ų71.249%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-72.1124.6176.5178.6-103.1000109.6G20 T21 Y29H18-G20 PolarHBondContact NE2-O 3.28Å; H18-T21 WeakPolarHBondContact NE2-CG2 3.5Å; H18-Y29 HydrophobicContact CB-CD1 4.03Å; H18-Y29 HydrophobicContact CB-CE1 3.78Å; H18-Y29 AromaticContact CD2-CE1 3.76Å; H18-Y29 AromaticContact CD2-CZ 3.87Å
19V93.6Very high83.2Confident52 Ų5269.4 Ų69.432%0.31535%0.346SS..EExtended strand (participates in β ladder)trans-100.8-44-175.5179.60000111.1E17 Y28 W67 W70 P78E17-V19 PolarHBondContact O-N 3.3Å; V19-Y28 PolarHBondContact N-O 3.32Å; V19-W67 HydrophobicContact CG1-CH2 4.31Å; V19-W67 HydrophobicContact CG1-CZ3 4.4Å; V19-W70 HydrophobicContact CB-CH2 4.13Å; V19-W70 HydrophobicContact CB-CZ2 4.43Å; V19-W70 HydrophobicContact CG1-CH2 4.22Å; V19-W70 HydrophobicContact CG1-CZ2 4.09Å; V19-W70 HydrophobicContact CG2-CH2 3.74Å; V19-W70 HydrophobicContact CG2-CZ2 3.99Å; V19-P78 HydrophobicContact CG1-CB 3.55Å; V19-P78 HydrophobicContact CG1-CG 3.62Å
20G92.4Very high84.5Confident15 Ų1568.4 Ų68.416%0.15535%0.348CS..EExtended strand (participates in β ladder)trans178.8174.2-177.400000113.1H18 Y28H18-G20 PolarHBondContact NE2-O 3.28Å; G20-Y28 PolarHBondContact O-N 3.17Å
21T93.6Very high85.9Confident64 Ų6460.4 Ų60.439%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-126.5142.9178.156.40000109.8H18 N26 K27H18-T21 WeakPolarHBondContact NE2-CG2 3.5Å; T21-N26 VanDerWaalsContact CA-O 3.29Å; T21-N26 WeakPolarHBondContact CA-O 3.26Å; T21-K27 HydrophobicContact CG2-CG 3.97Å
22D91.1Very high87.2Confident11 Ų1157.5 Ų57.56%0.05930%0.301CS..  trans-92.9167.3178.7179.244.7000112.9L24 G25 N26 Y28 P64D22-L24 PolarHBondContact O-N 3.24Å; D22-L24 PolarHBondContact OD2-N 3.35Å; D22-G25 PolarHBondContact O-N 3.32Å; D22-N26 HydrophobicContact CB-CB 4.35Å; D22-N26 PolarHBondContact N-O 3.37Å; D22-Y28 HydrophobicContact CB-CE2 3.6Å; D22-P64 WeakPolarHBondContact OD1-CG 2.95Å; D22-P64 WeakPolarHBondContact OD2-CD 3.2Å; D22-P64 WeakPolarHBondContact OD2-CG 3.38Å
23H87.6Confident88.6Confident94 Ų9456.3 Ų56.344%0.43530%0.298SS..THydrogen-bonded Turntrans-60.1-26.31766486.7000112.8G25 P64 E88H23-G25 VanDerWaalsContact C-N 3.26Å; H23-G25 PolarHBondContact O-N 3.25Å; H23-P64 WeakPolarHBondContact NE2-CG 3.41Å; H23-E88 IonicContact CD2-OE1 3.06Å; H23-E88 IonicContact CE1-OE1 2.62Å; H23-E88 PolarHBondContact CE1-OE1 3.48Å; H23-E88 IonicContact CG-OE1 3.02Å; H23-E88 IonicContact ND1-OE1 3.78Å; H23-E88 PolarHBondContact ND1-OE1 2.84Å; H23-E88 IonicContact NE2-OE1 3.62Å; H23-E88 PolarHBondContact NE2-OE1 3.04Å; H23-E88 VanDerWaalsContact NE2-OE1 3.1Å
24L87Confident89.6Confident79 Ų7955.6 Ų55.641%0.41429%0.286SS..THydrogen-bonded Turntrans-80-2.7173.2-58.9176.8000113.7D22 N26 A51 N62D22-L24 PolarHBondContact O-N 3.24Å; D22-L24 PolarHBondContact OD2-N 3.35Å; L24-N26 VanDerWaalsContact C-N 3.33Å; L24-A51 WeakPolarHBondContact O-CB 3.46Å; L24-N62 WeakPolarHBondContact CD1-O 3.35Å
25G89.2Confident90.1Very high37 Ų3758.6 Ų58.638%0.38130%0.296SS..  trans83.15.2-177.900000114.7D22 H23D22-G25 PolarHBondContact O-N 3.32Å; H23-G25 VanDerWaalsContact C-N 3.26Å; H23-G25 PolarHBondContact O-N 3.25Å
26N92.6Very high89.9Confident10 Ų1058.6 Ų58.65%0.05330%0.296CS..  trans-66.2140.1174-62.7-43.7000110.4T21 D22 L24 Y28 V48 A50 A51 N62T21-N26 VanDerWaalsContact CA-O 3.29Å; T21-N26 WeakPolarHBondContact CA-O 3.26Å; D22-N26 HydrophobicContact CB-CB 4.35Å; D22-N26 PolarHBondContact N-O 3.37Å; L24-N26 VanDerWaalsContact C-N 3.33Å; N26-Y28 HydrophobicContact CB-CE2 3.77Å; N26-Y28 WeakPolarHBondContact O-CE2 3.29Å; N26-V48 HydrophobicContact CB-CG2 4.21Å; N26-A50 WeakPolarHBondContact OD1-CA 3.49Å; N26-A51 PolarHBondContact OD1-N 2.89Å; N26-N62 PolarHBondContact ND2-O 3.1Å
27K94.4Very high89.2Confident100 Ų10062.5 Ų62.544%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-108.6133.6-179.6-61.4178.9-176.4171.90110.7T21 Y29 V48 E49T21-K27 HydrophobicContact CG2-CG 3.97Å; K27-Y29 HydrophobicContact CB-CE2 3.63Å; K27-V48 WeakPolarHBondContact O-CA 3.17Å; K27-E49 HydrophobicContact CB-CB 4.42Å; K27-E49 PolarHBondContact N-O 3.45Å; K27-E49 PolarHBondContact O-N 2.87Å
28Y94.7Very high88.7Confident0 Ų064.3 Ų64.30%033%0.328CS..EExtended strand (participates in β ladder)trans-114134.5-174.9-61.3-90.5000111.3V19 G20 D22 N26 V48 I63 W67 I71V19-Y28 PolarHBondContact N-O 3.32Å; G20-Y28 PolarHBondContact O-N 3.17Å; D22-Y28 HydrophobicContact CB-CE2 3.6Å; N26-Y28 HydrophobicContact CB-CE2 3.77Å; N26-Y28 WeakPolarHBondContact O-CE2 3.29Å; Y28-V48 HydrophobicContact CD1-CB 4.13Å; Y28-V48 HydrophobicContact CD1-CG2 3.99Å; Y28-V48 HydrophobicContact CE1-CB 4.05Å; Y28-V48 HydrophobicContact CE1-CG2 3.59Å; Y28-I63 HydrophobicContact CE1-CG2 4.39Å; Y28-W67 VanDerWaalsContact CB-CZ3 3.45Å; Y28-W67 HydrophobicContact CD1-CB 4.32Å; Y28-W67 AromaticContact CD1-CD2 3.86Å; Y28-W67 HydrophobicContact CD1-CD2 3.86Å; Y28-W67 AromaticContact CD1-CE3 3.42Å; Y28-W67 HydrophobicContact CD1-CE3 3.42Å; Y28-W67 VanDerWaalsContact CD1-CE3 3.42Å; Y28-W67 HydrophobicContact CD1-CG 4.27Å; Y28-W67 HydrophobicContact CD1-CZ3 4.01Å; Y28-W67 AromaticContact CD2-CD2 3.59Å; Y28-W67 HydrophobicContact CD2-CD2 3.59Å; Y28-W67 AromaticContact CD2-CE2 3.68Å; Y28-W67 AromaticContact CD2-CE3 3.66Å; Y28-W67 HydrophobicContact CD2-CE3 3.66Å; Y28-W67 HydrophobicContact CD2-CG 4.23Å; Y28-W67 AromaticContact CD2-CH2 3.94Å; Y28-W67 HydrophobicContact CD2-CH2 3.94Å; Y28-W67 AromaticContact CD2-CZ2 3.86Å; Y28-W67 HydrophobicContact CD2-CZ2 3.86Å; Y28-W67 AromaticContact CD2-CZ3 3.84Å; Y28-W67 HydrophobicContact CD2-CZ3 3.84Å; Y28-W67 HydrophobicContact CE1-CB 3.55Å; Y28-W67 AromaticContact CE1-CD2 3.81Å; Y28-W67 HydrophobicContact CE1-CD2 3.81Å; Y28-W67 AromaticContact CE1-CE3 3.84Å; Y28-W67 HydrophobicContact CE1-CE3 3.84Å; Y28-W67 AromaticContact CE1-CG 3.72Å; Y28-W67 HydrophobicContact CE1-CG 3.72Å; Y28-W67 HydrophobicContact CE2-CB 4.38Å; Y28-W67 AromaticContact CE2-CD1 3.9Å; Y28-W67 AromaticContact CE2-CD2 3.59Å; Y28-W67 HydrophobicContact CE2-CD2 3.59Å; Y28-W67 AromaticContact CE2-CE2 3.73Å; Y28-W67 HydrophobicContact CE2-CE3 4.09Å; Y28-W67 AromaticContact CE2-CG 3.73Å; Y28-W67 HydrophobicContact CE2-CG 3.73Å; Y28-W67 HydrophobicContact CE2-CZ2 4.33Å; Y28-W67 AromaticContact CE2-NE1 3.89Å; Y28-W67 AromaticContact CG-CD2 3.74Å; Y28-W67 HydrophobicContact CG-CD2 3.74Å; Y28-W67 AromaticContact CG-CE3 3.31Å; Y28-W67 HydrophobicContact CG-CE3 3.31Å; Y28-W67 HydrophobicContact CG-CG 4.49Å; Y28-W67 HydrophobicContact CG-CH2 4Å; Y28-W67 HydrophobicContact CG-CZ2 4.36Å; Y28-W67 AromaticContact CG-CZ3 3.47Å; Y28-W67 HydrophobicContact CG-CZ3 3.47Å; Y28-W67 VanDerWaalsContact CG-CZ3 3.47Å; Y28-W67 AromaticContact CZ-CD1 3.84Å; Y28-W67 AromaticContact CZ-CD2 3.66Å; Y28-W67 AromaticContact CZ-CG 3.4Å; Y28-W67 VanDerWaalsContact CZ-CG 3.4Å; Y28-I71 HydrophobicContact CD1-CD1 3.86Å; Y28-I71 HydrophobicContact CD1-CG1 4.3Å; Y28-I71 HydrophobicContact CE1-CD1 3.73Å
29Y94.7Very high88.1Confident38 Ų3861.9 Ų61.915%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-128.6140.7-175.5-62.1-88.5000111.6R16 E17 H18 K27 R46 M47 E49R16-Y29 HydrophobicContact CB-CD1 4.12Å; R16-Y29 HydrophobicContact CB-CG 4.47Å; E17-Y29 CarbonylContact O-C 3.52Å; E17-Y29 VanDerWaalsContact O-CA 3.26Å; E17-Y29 WeakPolarHBondContact O-CA 3.4Å; H18-Y29 HydrophobicContact CB-CD1 4.03Å; H18-Y29 HydrophobicContact CB-CE1 3.78Å; H18-Y29 AromaticContact CD2-CE1 3.76Å; H18-Y29 AromaticContact CD2-CZ 3.87Å; K27-Y29 HydrophobicContact CB-CE2 3.63Å; Y29-R46 WeakPolarHBondContact O-CA 3.4Å; Y29-M47 PolarHBondContact N-O 3.19Å; Y29-M47 PolarHBondContact O-N 3.42Å; Y29-E49 HydrophobicContact CD2-CG 4.02Å; Y29-E49 HydrophobicContact CE2-CB 4.03Å; Y29-E49 HydrophobicContact CE2-CG 3.74Å; Y29-E49 VanDerWaalsContact CE2-OE2 3.28Å; Y29-E49 WeakPolarHBondContact CE2-OE2 3.04Å; Y29-E49 PolarHBondContact OH-OE2 3.49Å
30S93.3Very high87.6Confident34 Ų3468.7 Ų68.724%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-106.3127.5170.5-1760000109.6E17E17-S30 PolarHBondContact N-O 2.79Å; E17-S30 PolarHBondContact O-N 3.37Å
31I90.8Very high87.2Confident10 Ų1074.9 Ų74.95%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-102.4110171.4-63172.6000106.8I14 R16 V42 A44 K45 M47I14-I31 HydrophobicContact CG2-CD1 4Å; I14-I31 HydrophobicContact CG2-CG1 4.28Å; I14-I31 HydrophobicContact CG2-CG2 3.59Å; R16-I31 HydrophobicContact CG-CD1 4.27Å; R16-I31 HydrophobicContact CG-CG1 3.99Å; I31-V42 HydrophobicContact CG2-CG1 4.34Å; I31-A44 WeakPolarHBondContact O-CA 3.47Å; I31-K45 WeakPolarHBondContact CA-O 3.37Å; I31-K45 WeakPolarHBondContact CB-O 3.49Å; I31-K45 PolarHBondContact N-O 2.92Å; I31-K45 PolarHBondContact O-N 3.46Å; I31-M47 HydrophobicContact CD1-CE 3.48Å; I31-M47 VanDerWaalsContact CD1-CE 3.48Å; I31-M47 HydrophobicContact CD1-CG 4.04Å; I31-M47 HydrophobicContact CD1-SD 3.63Å; I31-M47 HydrophobicContact CG1-CE 4.41Å
32P88.6Confident86.8Confident31 Ų3173.4 Ų73.420%0.20137%0.367CS..  trans-71.6159.9173.729.5-33.4000111Q34P32-Q34 PolarHBondContact O-N 3.27Å; P32-Q34 PolarHBondContact O-NE2 3.24Å
33E88.4Confident86.7Confident147 Ų14783 Ų8369%0.68740%0.402SS*.  trans-58.9125.2172.5-66-167162.900110.3V42 A44E33-V42 WeakPolarHBondContact CA-O 3.4Å; E33-A44 HydrophobicContact CG-CB 3.85Å
34Q84.5Confident86.8Confident15 Ų1581.6 Ų81.67%0.0741%0.407CS..EExtended strand (participates in β ladder)trans-148.3151.3-178.663-165.8-66.500111.1G13 V15 P32 V42G13-Q34 PolarHBondContact O-OE1 3.24Å; V15-Q34 VanDerWaalsContact N-OE1 3.07Å; V15-Q34 PolarHBondContact O-NE2 3Å; V15-Q34 VanDerWaalsContact O-NE2 3.13Å; P32-Q34 PolarHBondContact O-N 3.27Å; P32-Q34 PolarHBondContact O-NE2 3.24Å; Q34-V42 HydrophobicContact CG-CB 4.3Å; Q34-V42 PolarHBondContact N-O 3.43Å; Q34-V42 PolarHBondContact O-N 2.83Å
35K81.4Confident87Confident146 Ų14683.9 Ų83.964%0.63541%0.414SS*.EExtended strand (participates in β ladder)trans-92.4122170.9-70.3-177.1179.4-178.50107.9Q41K35-Q41 HydrophobicContact CG-CG 4.11Å
36T78.9Confident87.2Confident28 Ų2885.1 Ų85.117%0.17241%0.406CS..  trans-66.816117045.50000110.4I14 T38 G39 R40 V42I14-T36 HydrophobicContact CG1-CG2 4.23Å; T36-T38 PolarHBondContact O-N 3.34Å; T36-T38 VanDerWaalsContact O-N 3.15Å; T36-T38 PolarHBondContact OG1-OG1 2.98Å; T36-G39 PolarHBondContact O-N 2.94Å; T36-R40 PolarHBondContact N-O 2.89Å; T36-R40 WeakPolarHBondContact OG1-CB 3.38Å; T36-R40 PolarHBondContact OG1-N 3.15Å; T36-R40 PolarHBondContact OG1-O 2.84Å; T36-V42 HydrophobicContact CG2-CG2 3.77Å
37W73.5Confident87.2Confident212 Ų21286.3 Ų86.380%0.80341%0.412SS*.THydrogen-bonded Turntrans-55.2-31.2176.2-176.9-95.1000112.8R10 G39R10-W37 HydrophobicContact CG-CE3 4.42Å; R10-W37 HydrophobicContact CG-CZ3 4.32Å; W37-G39 PolarHBondContact O-N 2.9Å
38T78.9Confident87.1Confident123 Ų12384 Ų8476%0.75541%0.406SS*.THydrogen-bonded Turntrans-76.54.2176.157.10000114.1T36 R40T36-T38 PolarHBondContact O-N 3.34Å; T36-T38 VanDerWaalsContact O-N 3.15Å; T36-T38 PolarHBondContact OG1-OG1 2.98Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 3.13Å
39G80.9Confident87Confident54 Ų5487.6 Ų87.656%0.55742%0.423SS*.SBendtrans80.9-4.2179.700000114.7T36 W37 Q41T36-G39 PolarHBondContact O-N 2.94Å; W37-G39 PolarHBondContact O-N 2.9Å; G39-Q41 PolarHBondContact O-N 2.89Å
40R82.7Confident86.7Confident195 Ų19588.9 Ų88.974%0.73644%0.442SS*.PPolyproline II helixtrans-70.4127177.2-170.2178.8-177.8-1762110.2T36 T38 V42T36-R40 PolarHBondContact N-O 2.89Å; T36-R40 WeakPolarHBondContact OG1-CB 3.38Å; T36-R40 PolarHBondContact OG1-N 3.15Å; T36-R40 PolarHBondContact OG1-O 2.84Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 3.13Å; R40-V42 PolarHBondContact O-N 3.16Å
41Q84.7Confident86.4Confident145 Ų14589.5 Ų89.568%0.67845%0.449SS*.EExtended strand (participates in β ladder)trans-75.6121172.3-73.3-177.8-34.500109.9K35 G39K35-Q41 HydrophobicContact CG-CG 4.11Å; G39-Q41 PolarHBondContact O-N 2.89Å
42V84.8Confident86.1Confident32 Ų3293.1 Ų93.119%0.19447%0.468CS..EExtended strand (participates in β ladder)trans-95.6120.6172.2-179.80000107.3I14 I31 E33 Q34 T36 R40I14-V42 HydrophobicContact CD1-CG2 4.33Å; I14-V42 HydrophobicContact CG1-CG2 4.32Å; I31-V42 HydrophobicContact CG2-CG1 4.34Å; E33-V42 WeakPolarHBondContact CA-O 3.4Å; Q34-V42 HydrophobicContact CG-CB 4.3Å; Q34-V42 PolarHBondContact N-O 3.43Å; Q34-V42 PolarHBondContact O-N 2.83Å; T36-V42 HydrophobicContact CG2-CG2 3.77Å; R40-V42 PolarHBondContact O-N 3.16Å
43R88.8Confident85.4Confident213 Ų21397.8 Ų97.880%0.80450%0.499SS*.PPolyproline II helixtrans-69.3154.1175-65.9-177.2179.6175.2-0.7110.2K45R43-K45 PolarHBondContact O-N 3.26Å
44A89.6Confident85Confident64 Ų6491.7 Ų91.753%0.52947%0.474SS..PPolyproline II helixtrans-59.7131.5174.100000109.9I31 E33I31-A44 WeakPolarHBondContact O-CA 3.47Å; E33-A44 HydrophobicContact CG-CB 3.85Å
45K91.6Very high84.5Confident128 Ų12899.7 Ų99.756%0.55751%0.511SS*.EExtended strand (participates in β ladder)trans-139145.2179.1-175.6177.1178.8-1720109.6I31 R43 M47I31-K45 WeakPolarHBondContact CA-O 3.37Å; I31-K45 WeakPolarHBondContact CB-O 3.49Å; I31-K45 PolarHBondContact N-O 2.92Å; I31-K45 PolarHBondContact O-N 3.46Å; R43-K45 PolarHBondContact O-N 3.26Å; K45-M47 HydrophobicContact CD-CG 4.11Å; K45-M47 HydrophobicContact CD-SD 4.25Å; K45-M47 HydrophobicContact CG-CG 4.1Å
46R94.3Very high84.3Confident62 Ų62101.9 Ų101.923%0.23452%0.517CS..EExtended strand (participates in β ladder)trans-104.1137.6170.7-64.4168.1-176.7174.1-5.1108.3Y29 W70 I71 R75 K76Y29-R46 WeakPolarHBondContact O-CA 3.4Å; R46-W70 HydrophobicContact CB-CE3 4.33Å; R46-W70 HydrophobicContact CB-CH2 4.13Å; R46-W70 HydrophobicContact CB-CZ3 3.92Å; R46-W70 WeakPolarHBondContact CD-O 3.4Å; R46-W70 HydrophobicContact CG-CE3 4.41Å; R46-W70 HydrophobicContact CG-CH2 3.82Å; R46-W70 HydrophobicContact CG-CZ2 3.96Å; R46-W70 HydrophobicContact CG-CZ3 4.05Å; R46-W70 PolarHBondContact NH1-O 3.24Å; R46-I71 HydrophobicContact CB-CG1 4.49Å; R46-R75 PolarHBondContact NH1-O 2.99Å; R46-K76 PolarHBondContact NH2-O 2.94Å
47M92Very high84.5Confident35 Ų35104.9 Ų104.917%0.17253%0.529CS..EExtended strand (participates in β ladder)trans-134.3152.9-177.2-58.8-159.9-44.300110.9R16 Y29 I31 K45R16-M47 HydrophobicContact CG-CE 4.45Å; Y29-M47 PolarHBondContact N-O 3.19Å; Y29-M47 PolarHBondContact O-N 3.42Å; I31-M47 HydrophobicContact CD1-CE 3.48Å; I31-M47 VanDerWaalsContact CD1-CE 3.48Å; I31-M47 HydrophobicContact CD1-CG 4.04Å; I31-M47 HydrophobicContact CD1-SD 3.63Å; I31-M47 HydrophobicContact CG1-CE 4.41Å; K45-M47 HydrophobicContact CD-CG 4.11Å; K45-M47 HydrophobicContact CD-SD 4.25Å; K45-M47 HydrophobicContact CG-CG 4.1Å
48V92.6Very high84.8Confident51 Ų51100.8 Ų100.831%0.30951%0.514SS..EExtended strand (participates in β ladder)trans-118.1136.3173.562.30000108.5N26 K27 Y28 I63 I71N26-V48 HydrophobicContact CB-CG2 4.21Å; K27-V48 WeakPolarHBondContact O-CA 3.17Å; Y28-V48 HydrophobicContact CD1-CB 4.13Å; Y28-V48 HydrophobicContact CD1-CG2 3.99Å; Y28-V48 HydrophobicContact CE1-CB 4.05Å; Y28-V48 HydrophobicContact CE1-CG2 3.59Å; V48-I63 HydrophobicContact CG1-CD1 4.12Å; V48-I71 HydrophobicContact CB-CD1 3.84Å; V48-I71 HydrophobicContact CG1-CD1 4.16Å
49E91.7Very high84.9Confident76 Ų76101.1 Ų101.136%0.35551%0.509SS..EExtended strand (participates in β ladder)trans-105.9113.4163.8-67.6-179.5179.600106.2R16 K27 Y29R16-E49 IonicContact NH1-OE1 3.51Å; R16-E49 PolarHBondContact NH1-OE1 3.07Å; K27-E49 HydrophobicContact CB-CB 4.42Å; K27-E49 PolarHBondContact N-O 3.45Å; K27-E49 PolarHBondContact O-N 2.87Å; Y29-E49 HydrophobicContact CD2-CG 4.02Å; Y29-E49 HydrophobicContact CE2-CB 4.03Å; Y29-E49 HydrophobicContact CE2-CG 3.74Å; Y29-E49 VanDerWaalsContact CE2-OE2 3.28Å; Y29-E49 WeakPolarHBondContact CE2-OE2 3.04Å; Y29-E49 PolarHBondContact OH-OE2 3.49Å
50A89.8Confident84.8Confident65 Ų65107.7 Ų107.754%0.53753%0.525SS..  trans-65145-179.200000110.2N26 N52N26-A50 WeakPolarHBondContact OD1-CA 3.49Å; A50-N52 VanDerWaalsContact C-N 3.27Å; A50-N52 PolarHBondContact O-N 3.41Å
51A86.6Confident84.8Confident48 Ų48101.2 Ų101.240%0.39752%0.519SS..SBendtrans-64.3-36.6174.100000111.6L24 N26L24-A51 WeakPolarHBondContact O-CB 3.46Å; N26-A51 PolarHBondContact OD1-N 2.89Å
52N83.1Confident84.9Confident85 Ų8596.8 Ų96.846%0.45550%0.5SS..SBendtrans-79.8127.8177.9-72.4-6.9000110.5A50 A54A50-N52 VanDerWaalsContact C-N 3.27Å; A50-N52 PolarHBondContact O-N 3.41Å; N52-A54 VanDerWaalsContact C-N 3.28Å; N52-A54 PolarHBondContact O-N 3.09Å
53P73.7Confident85.2Confident129 Ų12996.8 Ų96.884%0.83850%0.498SS*.SBendtrans-73.9-20.6179.529.5-34.2000112.8
54A81.9Confident85.4Confident20 Ų2087 Ų8717%0.16546%0.463CS..  trans-87.5106.9-179.500000111N52 Y56 E57N52-A54 VanDerWaalsContact C-N 3.28Å; N52-A54 PolarHBondContact O-N 3.09Å; A54-Y56 HydrophobicContact CB-CD1 4.04Å; A54-Y56 HydrophobicContact CB-CE1 3.56Å; A54-Y56 HydrophobicContact CB-CE2 4.36Å; A54-Y56 PolarHBondContact O-N 3.18Å; A54-E57 HydrophobicContact CB-CB 4.34Å; A54-E57 HydrophobicContact CB-CG 3.82Å; A54-E57 PolarHBondContact O-N 2.89Å
55E73.9Confident85.5Confident182 Ų18288.8 Ų88.885%0.8546%0.462SS*.G310 helixtrans-61.2-29.8179.7-63.8-178.2176.200113.2E57 Y58E55-E57 VanDerWaalsContact C-N 3.25Å; E55-E57 PolarHBondContact O-N 3.33Å; E55-Y58 WeakPolarHBondContact O-CB 3.48Å; E55-Y58 PolarHBondContact O-N 3.13Å
56Y77.6Confident85.6Confident192 Ų19282.9 Ų82.975%0.75344%0.437SS*.G310 helixtrans-74.6-12.9-17963.5-94.7000113.7A54A54-Y56 HydrophobicContact CB-CD1 4.04Å; A54-Y56 HydrophobicContact CB-CE1 3.56Å; A54-Y56 HydrophobicContact CB-CE2 4.36Å; A54-Y56 PolarHBondContact O-N 3.18Å
57E81.6Confident85.6Confident91 Ų9180.2 Ų80.243%0.42543%0.426SS..G310 helixtrans-89.39.7175.4-62.1179.4178.800112.1A54 E55 M59 N62A54-E57 HydrophobicContact CB-CB 4.34Å; A54-E57 HydrophobicContact CB-CG 3.82Å; A54-E57 PolarHBondContact O-N 2.89Å; E55-E57 VanDerWaalsContact C-N 3.25Å; E55-E57 PolarHBondContact O-N 3.33Å; E57-M59 PolarHBondContact O-N 3.27Å; E57-M59 VanDerWaalsContact O-N 3.17Å; E57-N62 PolarHBondContact O-ND2 3.25Å
58Y80.4Confident85.7Confident126 Ų12681 Ų8149%0.49443%0.43SS..  trans-65.2117.4173.9179.3-95.3000110.4E55 N62 I63E55-Y58 WeakPolarHBondContact O-CB 3.48Å; E55-Y58 PolarHBondContact O-N 3.13Å; Y58-N62 HydrophobicContact CD2-CB 4.36Å; Y58-N62 HydrophobicContact CE2-CB 4.3Å; Y58-I63 HydrophobicContact CE2-CD1 4.17Å; Y58-I63 HydrophobicContact CE2-CG1 4.44Å
59M81.1Confident85.8Confident131 Ų13179.2 Ų79.265%0.64542%0.421SS*.  trans-111.1146.8172-64.8-67.9-74.400109.5E57 G61 N62E57-M59 PolarHBondContact O-N 3.27Å; E57-M59 VanDerWaalsContact O-N 3.17Å; M59-G61 PolarHBondContact O-N 2.78Å; M59-N62 PolarHBondContact N-ND2 2.76Å; M59-N62 WeakPolarHBondContact O-CB 3.49Å; M59-N62 PolarHBondContact O-N 2.82Å; M59-N62 VanDerWaalsContact O-N 3.09Å
60E79.3Confident85.9Confident191 Ų19176 Ų7689%0.89341%0.405SS*.THydrogen-bonded Turntrans-59.2120.3170.2-68.4-177.4177.600109.2
61G82Confident86.1Confident60 Ų6075.1 Ų75.162%0.61939%0.391SS*.THydrogen-bonded Turntrans109.7-8-174.100000115.2M59 I63M59-G61 PolarHBondContact O-N 2.78Å; G61-I63 PolarHBondContact O-N 2.86Å; G61-I63 VanDerWaalsContact O-N 3.13Å
62N87.3Confident86.5Confident51 Ų5179.5 Ų79.527%0.27340%0.397SS..SBendtrans-66.4-10.7174.8-75.4-1.1000113.9L24 N26 E57 Y58 M59L24-N62 WeakPolarHBondContact CD1-O 3.35Å; N26-N62 PolarHBondContact ND2-O 3.1Å; E57-N62 PolarHBondContact O-ND2 3.25Å; Y58-N62 HydrophobicContact CD2-CB 4.36Å; Y58-N62 HydrophobicContact CE2-CB 4.3Å; M59-N62 PolarHBondContact N-ND2 2.76Å; M59-N62 WeakPolarHBondContact O-CB 3.49Å; M59-N62 PolarHBondContact O-N 2.82Å; M59-N62 VanDerWaalsContact O-N 3.09Å
63I91Very high86.9Confident32 Ų3277.8 Ų77.816%0.16440%0.4CS..SBendtrans-122125.2175.8-59.8172.4000106.9Y28 V48 Y58 G61 W67 E68Y28-I63 HydrophobicContact CE1-CG2 4.39Å; V48-I63 HydrophobicContact CG1-CD1 4.12Å; Y58-I63 HydrophobicContact CE2-CD1 4.17Å; Y58-I63 HydrophobicContact CE2-CG1 4.44Å; G61-I63 PolarHBondContact O-N 2.86Å; G61-I63 VanDerWaalsContact O-N 3.13Å; I63-W67 HydrophobicContact CG2-CB 4.2Å; I63-E68 HydrophobicContact CG2-CB 4.16Å
64P92.8Very high87.8Confident8 Ų880.3 Ų80.35%0.05239%0.393CS..  trans-61.9147.3175.2-23.534000111.8D22 H23 E66 W67 E68 L84D22-P64 WeakPolarHBondContact OD1-CG 2.95Å; D22-P64 WeakPolarHBondContact OD2-CD 3.2Å; D22-P64 WeakPolarHBondContact OD2-CG 3.38Å; H23-P64 WeakPolarHBondContact NE2-CG 3.41Å; P64-E66 WeakPolarHBondContact CB-OE2 3.09Å; P64-E66 PolarHBondContact O-N 3.47Å; P64-E66 VanDerWaalsContact O-N 3.17Å; P64-W67 PolarHBondContact O-N 3.28Å; P64-W67 VanDerWaalsContact O-N 3.16Å; P64-E68 WeakPolarHBondContact O-CB 3.44Å; P64-E68 PolarHBondContact O-N 2.86Å; P64-L84 HydrophobicContact CB-CD2 4.13Å
65I92.1Very high88.4Confident102 Ų10283.5 Ų83.552%0.52340%0.401SS..Hα-helixtrans-63.9-28.5-171.9-149.4168.6000112.4E68 A69I65-E68 PolarHBondContact O-N 3.21Å; I65-A69 VanDerWaalsContact O-CB 3.3Å; I65-A69 WeakPolarHBondContact O-CB 3.48Å; I65-A69 PolarHBondContact O-N 3.04Å
66E93.5Very high89.3Confident3 Ų383.8 Ų83.81%0.01440%0.399CS..Hα-helixtrans-68.4-46.1179.6-57.780-178.200110.3P64 A69 W70 P79 L84 N87 R91P64-E66 WeakPolarHBondContact CB-OE2 3.09Å; P64-E66 PolarHBondContact O-N 3.47Å; P64-E66 VanDerWaalsContact O-N 3.17Å; E66-A69 PolarHBondContact O-N 3.19Å; E66-W70 PolarHBondContact O-N 2.65Å; E66-P79 HydrophobicContact CB-CB 3.74Å; E66-P79 HydrophobicContact CB-CG 4Å; E66-L84 HydrophobicContact CB-CD2 3.7Å; E66-L84 HydrophobicContact CG-CD2 3.77Å; E66-L84 WeakPolarHBondContact OE2-CD2 3.33Å; E66-N87 WeakPolarHBondContact OE1-CB 3.38Å; E66-N87 PolarHBondContact OE1-ND2 3.17Å; E66-R91 IonicContact OE1-CZ 3.98Å; E66-R91 IonicContact OE1-NH1 3.16Å; E66-R91 IonicContact OE1-NH2 3.97Å; E66-R91 PolarHBondContact OE1-NH2 3.08Å; E66-R91 IonicContact OE2-NH2 3.61Å
67W94.1Very high90Very high6 Ų682.1 Ų82.12%0.02340%0.398CS..Hα-helixtrans-66.9-39173.6-82.3115000111.8V19 Y28 I63 P64 A69 W70 I71 P78 P79V19-W67 HydrophobicContact CG1-CH2 4.31Å; V19-W67 HydrophobicContact CG1-CZ3 4.4Å; Y28-W67 VanDerWaalsContact CB-CZ3 3.45Å; Y28-W67 HydrophobicContact CD1-CB 4.32Å; Y28-W67 AromaticContact CD1-CD2 3.86Å; Y28-W67 HydrophobicContact CD1-CD2 3.86Å; Y28-W67 AromaticContact CD1-CE3 3.42Å; Y28-W67 HydrophobicContact CD1-CE3 3.42Å; Y28-W67 VanDerWaalsContact CD1-CE3 3.42Å; Y28-W67 HydrophobicContact CD1-CG 4.27Å; Y28-W67 HydrophobicContact CD1-CZ3 4.01Å; Y28-W67 AromaticContact CD2-CD2 3.59Å; Y28-W67 HydrophobicContact CD2-CD2 3.59Å; Y28-W67 AromaticContact CD2-CE2 3.68Å; Y28-W67 AromaticContact CD2-CE3 3.66Å; Y28-W67 HydrophobicContact CD2-CE3 3.66Å; Y28-W67 HydrophobicContact CD2-CG 4.23Å; Y28-W67 AromaticContact CD2-CH2 3.94Å; Y28-W67 HydrophobicContact CD2-CH2 3.94Å; Y28-W67 AromaticContact CD2-CZ2 3.86Å; Y28-W67 HydrophobicContact CD2-CZ2 3.86Å; Y28-W67 AromaticContact CD2-CZ3 3.84Å; Y28-W67 HydrophobicContact CD2-CZ3 3.84Å; Y28-W67 HydrophobicContact CE1-CB 3.55Å; Y28-W67 AromaticContact CE1-CD2 3.81Å; Y28-W67 HydrophobicContact CE1-CD2 3.81Å; Y28-W67 AromaticContact CE1-CE3 3.84Å; Y28-W67 HydrophobicContact CE1-CE3 3.84Å; Y28-W67 AromaticContact CE1-CG 3.72Å; Y28-W67 HydrophobicContact CE1-CG 3.72Å; Y28-W67 HydrophobicContact CE2-CB 4.38Å; Y28-W67 AromaticContact CE2-CD1 3.9Å; Y28-W67 AromaticContact CE2-CD2 3.59Å; Y28-W67 HydrophobicContact CE2-CD2 3.59Å; Y28-W67 AromaticContact CE2-CE2 3.73Å; Y28-W67 HydrophobicContact CE2-CE3 4.09Å; Y28-W67 AromaticContact CE2-CG 3.73Å; Y28-W67 HydrophobicContact CE2-CG 3.73Å; Y28-W67 HydrophobicContact CE2-CZ2 4.33Å; Y28-W67 AromaticContact CE2-NE1 3.89Å; Y28-W67 AromaticContact CG-CD2 3.74Å; Y28-W67 HydrophobicContact CG-CD2 3.74Å; Y28-W67 AromaticContact CG-CE3 3.31Å; Y28-W67 HydrophobicContact CG-CE3 3.31Å; Y28-W67 HydrophobicContact CG-CG 4.49Å; Y28-W67 HydrophobicContact CG-CH2 4Å; Y28-W67 HydrophobicContact CG-CZ2 4.36Å; Y28-W67 AromaticContact CG-CZ3 3.47Å; Y28-W67 HydrophobicContact CG-CZ3 3.47Å; Y28-W67 VanDerWaalsContact CG-CZ3 3.47Å; Y28-W67 AromaticContact CZ-CD1 3.84Å; Y28-W67 AromaticContact CZ-CD2 3.66Å; Y28-W67 AromaticContact CZ-CG 3.4Å; Y28-W67 VanDerWaalsContact CZ-CG 3.4Å; I63-W67 HydrophobicContact CG2-CB 4.2Å; P64-W67 PolarHBondContact O-N 3.28Å; P64-W67 VanDerWaalsContact O-N 3.16Å; W67-A69 VanDerWaalsContact C-N 3.35Å; W67-A69 PolarHBondContact O-N 3.16Å; W67-W70 HydrophobicContact CE3-CD2 4.38Å; W67-W70 AromaticContact CE3-CE3 3.81Å; W67-W70 HydrophobicContact CE3-CE3 3.81Å; W67-W70 HydrophobicContact CE3-CZ3 4.38Å; W67-W70 HydrophobicContact CZ3-CD2 4.26Å; W67-W70 AromaticContact CZ3-CE3 3.82Å; W67-W70 HydrophobicContact CZ3-CE3 3.82Å; W67-W70 HydrophobicContact CZ3-CZ3 4.08Å; W67-W70 PolarHBondContact O-N 2.91Å; W67-I71 WeakPolarHBondContact O-CG1 3.4Å; W67-I71 PolarHBondContact O-N 3.44Å; W67-P78 HydrophobicContact CH2-CB 3.86Å; W67-P78 HydrophobicContact CZ3-CB 3.88Å; W67-P79 HydrophobicContact CD2-CG 3.51Å; W67-P79 VanDerWaalsContact CE2-CG 3.48Å; W67-P79 HydrophobicContact CE3-CG 4.01Å; W67-P79 HydrophobicContact CG-CG 3.77Å; W67-P79 HydrophobicContact CH2-CG 4.42Å; W67-P79 HydrophobicContact CZ2-CG 3.97Å; W67-P79 HydrophobicContact CZ3-CG 4.44Å
68E93.6Very high90.5Very high51 Ų5180.5 Ų80.524%0.23840%0.396CS..Hα-helixtrans-62.6-42.2175.5-160.5-165.3-16300111.6I63 P64 I65 W70 I71 R72I63-E68 HydrophobicContact CG2-CB 4.16Å; P64-E68 WeakPolarHBondContact O-CB 3.44Å; P64-E68 PolarHBondContact O-N 2.86Å; I65-E68 PolarHBondContact O-N 3.21Å; E68-W70 VanDerWaalsContact C-N 3.32Å; E68-W70 PolarHBondContact O-N 2.95Å; E68-I71 PolarHBondContact O-N 3.33Å; E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 WeakPolarHBondContact O-CG 3.31Å; E68-R72 PolarHBondContact O-N 3.5Å; E68-R72 IonicContact OE1-CZ 3.7Å; E68-R72 IonicContact OE1-NH1 2.73Å; E68-R72 PolarHBondContact OE1-NH1 2.84Å; E68-R72 IonicContact OE1-NH2 3.1Å; E68-R72 PolarHBondContact OE1-NH2 3.03Å; E68-R72 IonicContact OE2-CZ 3.47Å; E68-R72 IonicContact OE2-NH1 3.76Å; E68-R72 PolarHBondContact OE2-NH1 3.11Å; E68-R72 IonicContact OE2-NH2 2.86Å
69A94.4Very high91.2Very high15 Ų1575 Ų7512%0.12438%0.375CS..Hα-helixtrans-63.7-37.7174.200000112I65 E66 W67 G73 R74 R75I65-A69 VanDerWaalsContact O-CB 3.3Å; I65-A69 WeakPolarHBondContact O-CB 3.48Å; I65-A69 PolarHBondContact O-N 3.04Å; E66-A69 PolarHBondContact O-N 3.19Å; W67-A69 VanDerWaalsContact C-N 3.35Å; W67-A69 PolarHBondContact O-N 3.16Å; A69-G73 PolarHBondContact O-N 3.26Å; A69-R74 HydrophobicContact CB-CB 4.35Å; A69-R74 WeakPolarHBondContact O-CB 3.41Å; A69-R74 PolarHBondContact O-N 3.44Å; A69-R75 HydrophobicContact CB-CG 4.18Å; A69-R75 PolarHBondContact O-N 3.36Å
70W95.1Very high91.8Very high7 Ų771.8 Ų71.83%0.02737%0.365CS..Hα-helixtrans-66.1-49.3172.6-178.377.8000111.4V19 R46 E66 W67 E68 R72 G73 R75 K76 E77V19-W70 HydrophobicContact CB-CH2 4.13Å; V19-W70 HydrophobicContact CB-CZ2 4.43Å; V19-W70 HydrophobicContact CG1-CH2 4.22Å; V19-W70 HydrophobicContact CG1-CZ2 4.09Å; V19-W70 HydrophobicContact CG2-CH2 3.74Å; V19-W70 HydrophobicContact CG2-CZ2 3.99Å; R46-W70 HydrophobicContact CB-CE3 4.33Å; R46-W70 HydrophobicContact CB-CH2 4.13Å; R46-W70 HydrophobicContact CB-CZ3 3.92Å; R46-W70 WeakPolarHBondContact CD-O 3.4Å; R46-W70 HydrophobicContact CG-CE3 4.41Å; R46-W70 HydrophobicContact CG-CH2 3.82Å; R46-W70 HydrophobicContact CG-CZ2 3.96Å; R46-W70 HydrophobicContact CG-CZ3 4.05Å; R46-W70 PolarHBondContact NH1-O 3.24Å; E66-W70 PolarHBondContact O-N 2.65Å; W67-W70 HydrophobicContact CE3-CD2 4.38Å; W67-W70 AromaticContact CE3-CE3 3.81Å; W67-W70 HydrophobicContact CE3-CE3 3.81Å; W67-W70 HydrophobicContact CE3-CZ3 4.38Å; W67-W70 HydrophobicContact CZ3-CD2 4.26Å; W67-W70 AromaticContact CZ3-CE3 3.82Å; W67-W70 HydrophobicContact CZ3-CE3 3.82Å; W67-W70 HydrophobicContact CZ3-CZ3 4.08Å; W67-W70 PolarHBondContact O-N 2.91Å; E68-W70 VanDerWaalsContact C-N 3.32Å; E68-W70 PolarHBondContact O-N 2.95Å; W70-R72 VanDerWaalsContact C-N 3.27Å; W70-R72 PolarHBondContact O-N 2.7Å; W70-G73 PolarHBondContact O-N 3.28Å; W70-R75 HydrophobicContact CB-CB 4.46Å; W70-K76 PolarHBondContact NE1-O 3.2Å; W70-E77 VanDerWaalsContact CD1-C 3.43Å
71I94.1Very high92.3Very high48 Ų4868.4 Ų68.425%0.24635%0.352CS..Hα-helixtrans-57.2-42.2178.9-69.9167.9000111.6Y28 R46 V48 W67 E68 G73Y28-I71 HydrophobicContact CD1-CD1 3.86Å; Y28-I71 HydrophobicContact CD1-CG1 4.3Å; Y28-I71 HydrophobicContact CE1-CD1 3.73Å; R46-I71 HydrophobicContact CB-CG1 4.49Å; V48-I71 HydrophobicContact CB-CD1 3.84Å; V48-I71 HydrophobicContact CG1-CD1 4.16Å; W67-I71 WeakPolarHBondContact O-CG1 3.4Å; W67-I71 PolarHBondContact O-N 3.44Å; E68-I71 PolarHBondContact O-N 3.33Å; I71-G73 PolarHBondContact O-N 3.45Å
72R93.4Very high92.7Very high139 Ų13972.5 Ų72.553%0.52536%0.355SS..THydrogen-bonded Turntrans-69.8-7.3178.4-71.6-173.3-178.4126-5.4114.5E68 W70 R74E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 WeakPolarHBondContact O-CG 3.31Å; E68-R72 PolarHBondContact O-N 3.5Å; E68-R72 IonicContact OE1-CZ 3.7Å; E68-R72 IonicContact OE1-NH1 2.73Å; E68-R72 PolarHBondContact OE1-NH1 2.84Å; E68-R72 IonicContact OE1-NH2 3.1Å; E68-R72 PolarHBondContact OE1-NH2 3.03Å; E68-R72 IonicContact OE2-CZ 3.47Å; E68-R72 IonicContact OE2-NH1 3.76Å; E68-R72 PolarHBondContact OE2-NH1 3.11Å; E68-R72 IonicContact OE2-NH2 2.86Å; W70-R72 VanDerWaalsContact C-N 3.27Å; W70-R72 PolarHBondContact O-N 2.7Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 HydrophobicContact CB-CG 4.48Å
73G92.1Very high92.9Very high49 Ų4973.2 Ų73.251%0.50536%0.357SS..THydrogen-bonded Turntrans84.63.5-178.300000114.8A69 W70 I71A69-G73 PolarHBondContact O-N 3.26Å; W70-G73 PolarHBondContact O-N 3.28Å; I71-G73 PolarHBondContact O-N 3.45Å
74R93.8Very high92.9Very high182 Ų18272 Ų7269%0.68735%0.351SS*.SBendtrans-68.4-37.2177.7-65.8-158.5-97.5-152.5-2.6111.6A69 R72A69-R74 HydrophobicContact CB-CB 4.35Å; A69-R74 WeakPolarHBondContact O-CB 3.41Å; A69-R74 PolarHBondContact O-N 3.44Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 HydrophobicContact CB-CG 4.48Å
75R93.8Very high92.9Very high88 Ų8877.5 Ų77.533%0.33238%0.377SS..  trans-103.7141.1173.1-65.8-177.3175.1-160.8-1.4110.5R46 A69 W70 E83R46-R75 PolarHBondContact NH1-O 2.99Å; A69-R75 HydrophobicContact CB-CG 4.18Å; A69-R75 PolarHBondContact O-N 3.36Å; W70-R75 HydrophobicContact CB-CB 4.46Å; R75-E83 IonicContact CZ-OE1 3.49Å; R75-E83 IonicContact NH1-OE1 2.74Å; R75-E83 PolarHBondContact NH1-OE1 3.49Å; R75-E83 IonicContact NH1-OE2 2.74Å; R75-E83 IonicContact NH2-OE1 3.32Å; R75-E83 PolarHBondContact NH2-OE1 3.43Å
76K91.7Very high93Very high187 Ų18777.6 Ų77.681%0.81338%0.377SS*.SBendtrans-81.2-45.9174.9-71.2-178.5-178.6176.20111.5R46 W70R46-K76 PolarHBondContact NH2-O 2.94Å; W70-K76 PolarHBondContact NE1-O 3.2Å
77E92.4Very high92.9Very high157 Ų15779 Ų7973%0.73439%0.385SS*.SBendtrans-92.3145.1-178-66.4175.2-173.700110.8W70W70-E77 VanDerWaalsContact CD1-C 3.43Å
78P93.4Very high92.8Very high58 Ų5881.8 Ų81.838%0.37740%0.398SS..PPolyproline II helixtrans-67.6151.4174.131.3-35.4000110.5V19 W67V19-P78 HydrophobicContact CG1-CB 3.55Å; V19-P78 HydrophobicContact CG1-CG 3.62Å; W67-P78 HydrophobicContact CH2-CB 3.86Å; W67-P78 HydrophobicContact CZ3-CB 3.88Å
79P94.6Very high92.9Very high11 Ų1181.4 Ų81.47%0.07140%0.4CS..PPolyproline II helixtrans-66.8150.8175.830.1-35.1000111.8E66 W67 L84E66-P79 HydrophobicContact CB-CB 3.74Å; E66-P79 HydrophobicContact CB-CG 4Å; W67-P79 HydrophobicContact CD2-CG 3.51Å; W67-P79 VanDerWaalsContact CE2-CG 3.48Å; W67-P79 HydrophobicContact CE3-CG 4.01Å; W67-P79 HydrophobicContact CG-CG 3.77Å; W67-P79 HydrophobicContact CH2-CG 4.42Å; W67-P79 HydrophobicContact CZ2-CG 3.97Å; W67-P79 HydrophobicContact CZ3-CG 4.44Å; P79-L84 HydrophobicContact CB-CD2 4.2Å; P79-L84 HydrophobicContact CB-CG 4.38Å; P79-L84 HydrophobicContact CG-CD2 4.37Å
80S93Very high93Very high62 Ų6285.1 Ų85.143%0.43442%0.415SS..PPolyproline II helixtrans-83.9149.8171.4-177.80000110.7E82 E83 L84S80-E82 PolarHBondContact O-N 3.43Å; S80-E83 WeakPolarHBondContact O-CB 3.36Å; S80-E83 PolarHBondContact O-N 3.2Å; S80-E83 VanDerWaalsContact O-N 3.17Å; S80-L84 WeakPolarHBondContact O-CG 3.3Å; S80-L84 PolarHBondContact O-N 3.11Å; S80-L84 VanDerWaalsContact O-N 3.11Å
81I89.3Confident92.9Very high121 Ų12189.2 Ų89.262%0.62143%0.431SS*.Hα-helixtrans-60.3-38.3176.4-69.7159.4000111.2L84 M85I81-L84 PolarHBondContact O-N 3.49Å; I81-M85 PolarHBondContact O-N 3.39Å; I81-M85 VanDerWaalsContact O-N 3.1Å
82E91.1Very high93Very high145 Ų14591.2 Ų91.268%0.67844%0.442SS*.Hα-helixtrans-65-40.1177.4-64.4174.3-179.200111.6S80 L84 M85 M86S80-E82 PolarHBondContact O-N 3.43Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; E82-M85 PolarHBondContact O-N 3.42Å; E82-M86 VanDerWaalsContact O-CG 3.31Å; E82-M86 WeakPolarHBondContact O-CG 3.44Å; E82-M86 PolarHBondContact O-N 3.36Å
83E91.8Very high93.2Very high66 Ų6689.2 Ų89.231%0.30844%0.439SS..Hα-helixtrans-61.9-44.3176.6-172.6-167.4160.800110.6R75 S80 M85 M86 N87R75-E83 IonicContact CZ-OE1 3.49Å; R75-E83 IonicContact NH1-OE1 2.74Å; R75-E83 PolarHBondContact NH1-OE1 3.49Å; R75-E83 IonicContact NH1-OE2 2.74Å; R75-E83 IonicContact NH2-OE1 3.32Å; R75-E83 PolarHBondContact NH2-OE1 3.43Å; S80-E83 WeakPolarHBondContact O-CB 3.36Å; S80-E83 PolarHBondContact O-N 3.2Å; S80-E83 VanDerWaalsContact O-N 3.17Å; E83-M85 PolarHBondContact O-N 3.17Å; E83-M86 PolarHBondContact O-N 2.95Å; E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 2.9Å; E83-N87 PolarHBondContact O-ND2 3.39Å; E83-N87 PolarHBondContact O-OD1 3.1Å
84L91.8Very high93.5Very high7 Ų792.2 Ų92.24%0.03744%0.442CS..Hα-helixtrans-59-49.6178.2-64.1168.4000110.8P64 E66 P79 S80 I81 E82 M86 N87 E88P64-L84 HydrophobicContact CB-CD2 4.13Å; E66-L84 HydrophobicContact CB-CD2 3.7Å; E66-L84 HydrophobicContact CG-CD2 3.77Å; E66-L84 WeakPolarHBondContact OE2-CD2 3.33Å; P79-L84 HydrophobicContact CB-CD2 4.2Å; P79-L84 HydrophobicContact CB-CG 4.38Å; P79-L84 HydrophobicContact CG-CD2 4.37Å; S80-L84 WeakPolarHBondContact O-CG 3.3Å; S80-L84 PolarHBondContact O-N 3.11Å; S80-L84 VanDerWaalsContact O-N 3.11Å; I81-L84 PolarHBondContact O-N 3.49Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; L84-M86 PolarHBondContact O-N 3.46Å; L84-N87 PolarHBondContact O-N 3.03Å; L84-E88 WeakPolarHBondContact O-CG 3.4Å; L84-E88 PolarHBondContact O-N 3.2Å
85M91Very high93.6Very high124 Ų12489.9 Ų89.961%0.61144%0.437SS*.Hα-helixtrans-63.4-40.7-178.2-167.116965.700112.4I81 E82 E83 E88 S89I81-M85 PolarHBondContact O-N 3.39Å; I81-M85 VanDerWaalsContact O-N 3.1Å; E82-M85 PolarHBondContact O-N 3.42Å; E83-M85 PolarHBondContact O-N 3.17Å; M85-E88 PolarHBondContact O-N 3.13Å; M85-S89 PolarHBondContact O-N 3.42Å; M85-S89 VanDerWaalsContact O-N 3.11Å
86M94.4Very high93.8Very high103 Ų10391.5 Ų91.551%0.50745%0.452SS..Hα-helixtrans-66.6-37.9175.4-69.4-56.8-58.500112.4E82 E83 L84 S89 Q90E82-M86 VanDerWaalsContact O-CG 3.31Å; E82-M86 WeakPolarHBondContact O-CG 3.44Å; E82-M86 PolarHBondContact O-N 3.36Å; E83-M86 PolarHBondContact O-N 2.95Å; L84-M86 PolarHBondContact O-N 3.46Å; M86-S89 PolarHBondContact O-N 3.01Å; M86-S89 PolarHBondContact O-OG 2.92Å; M86-Q90 VanDerWaalsContact O-CG 3.26Å; M86-Q90 WeakPolarHBondContact O-CG 3.44Å; M86-Q90 PolarHBondContact O-N 3.4Å
87N93.3Very high94.2Very high34 Ų3488.1 Ų88.118%0.18244%0.437CS..Hα-helixtrans-69.8-36.3177.7-69-13.5000111.5E66 E83 L84 Q90 R91E66-N87 WeakPolarHBondContact OE1-CB 3.38Å; E66-N87 PolarHBondContact OE1-ND2 3.17Å; E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 2.9Å; E83-N87 PolarHBondContact O-ND2 3.39Å; E83-N87 PolarHBondContact O-OD1 3.1Å; L84-N87 PolarHBondContact O-N 3.03Å; N87-Q90 PolarHBondContact O-N 3.29Å; N87-R91 VanDerWaalsContact O-CG 3.32Å; N87-R91 WeakPolarHBondContact O-CG 3.25Å; N87-R91 PolarHBondContact O-N 2.73Å
88E91.8Very high94.4Very high64 Ų6482.5 Ų82.530%0.29942%0.417SS..Hα-helixtrans-61.7-45.9173.3-74-169.2132.200111.9H23 L84 M85 Q90 R91 N92H23-E88 IonicContact CD2-OE1 3.06Å; H23-E88 IonicContact CE1-OE1 2.62Å; H23-E88 PolarHBondContact CE1-OE1 3.48Å; H23-E88 IonicContact CG-OE1 3.02Å; H23-E88 IonicContact ND1-OE1 3.78Å; H23-E88 PolarHBondContact ND1-OE1 2.84Å; H23-E88 IonicContact NE2-OE1 3.62Å; H23-E88 PolarHBondContact NE2-OE1 3.04Å; H23-E88 VanDerWaalsContact NE2-OE1 3.1Å; L84-E88 WeakPolarHBondContact O-CG 3.4Å; L84-E88 PolarHBondContact O-N 3.2Å; M85-E88 PolarHBondContact O-N 3.13Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 2.62Å; E88-R91 PolarHBondContact O-N 3.02Å; E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 2.74Å; E88-N92 PolarHBondContact O-ND2 3.31Å
89S95.1Very high94.6Very high42 Ų4285 Ų8529%0.29443%0.425SS..Hα-helixtrans-61.2-44.1177.2750000111.1M85 M86 R91 N92 E93M85-S89 PolarHBondContact O-N 3.42Å; M85-S89 VanDerWaalsContact O-N 3.11Å; M86-S89 PolarHBondContact O-N 3.01Å; M86-S89 PolarHBondContact O-OG 2.92Å; S89-R91 PolarHBondContact O-N 2.83Å; S89-N92 PolarHBondContact O-N 3.5Å; S89-E93 WeakPolarHBondContact O-CG 3.31Å; S89-E93 PolarHBondContact O-N 3.49Å
90Q96.1Very high94.8Very high94 Ų9489.1 Ų89.144%0.43944%0.443SS..Hα-helixtrans-60.2-43.3175.9-73.2174.9800112.6M86 N87 E88 N92 E93 I94M86-Q90 VanDerWaalsContact O-CG 3.26Å; M86-Q90 WeakPolarHBondContact O-CG 3.44Å; M86-Q90 PolarHBondContact O-N 3.4Å; N87-Q90 PolarHBondContact O-N 3.29Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 2.62Å; Q90-N92 VanDerWaalsContact C-N 3.3Å; Q90-N92 PolarHBondContact O-N 3.34Å; Q90-E93 PolarHBondContact O-N 3.04Å; Q90-I94 WeakPolarHBondContact O-CB 3.32Å; Q90-I94 VanDerWaalsContact O-CG1 3.25Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.48Å
91R93.9Very high95.1Very high92 Ų9291.5 Ų91.535%0.34745%0.451SS..Hα-helixtrans-60-42.8175.8-75.2175.4-168.8139.814.5111.3E66 N87 E88 S89 I94 K95E66-R91 IonicContact OE1-CZ 3.98Å; E66-R91 IonicContact OE1-NH1 3.16Å; E66-R91 IonicContact OE1-NH2 3.97Å; E66-R91 PolarHBondContact OE1-NH2 3.08Å; E66-R91 IonicContact OE2-NH2 3.61Å; N87-R91 VanDerWaalsContact O-CG 3.32Å; N87-R91 WeakPolarHBondContact O-CG 3.25Å; N87-R91 PolarHBondContact O-N 2.73Å; E88-R91 PolarHBondContact O-N 3.02Å; S89-R91 PolarHBondContact O-N 2.83Å; R91-I94 PolarHBondContact O-N 3.44Å; R91-K95 VanDerWaalsContact O-CG 3.31Å; R91-K95 WeakPolarHBondContact O-CG 3.42Å; R91-K95 PolarHBondContact O-N 3.33Å
92N95.2Very high95.4Very high91 Ų9191.9 Ų91.949%0.48745%0.45SS..Hα-helixtrans-66.1-42.9179.1-67.6-22.9000111.3E88 S89 Q90 I94 K95 L96E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 2.74Å; E88-N92 PolarHBondContact O-ND2 3.31Å; S89-N92 PolarHBondContact O-N 3.5Å; Q90-N92 VanDerWaalsContact C-N 3.3Å; Q90-N92 PolarHBondContact O-N 3.34Å; N92-I94 PolarHBondContact O-N 2.92Å; N92-K95 PolarHBondContact O-N 2.91Å; N92-L96 WeakPolarHBondContact O-CG 3.26Å; N92-L96 PolarHBondContact O-N 3.44Å; N92-L96 VanDerWaalsContact O-N 3.08Å
93E97.9Very high95.7Very high97 Ų9791.1 Ų91.145%0.45345%0.447SS..Hα-helixtrans-61.3-43.1174.7-73178.7-155.400112.7S89 Q90 K95 L96 K97S89-E93 WeakPolarHBondContact O-CG 3.31Å; S89-E93 PolarHBondContact O-N 3.49Å; Q90-E93 PolarHBondContact O-N 3.04Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.43Å; E93-L96 PolarHBondContact O-N 2.93Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 WeakPolarHBondContact O-CG 3.49Å; E93-K97 PolarHBondContact O-N 3.43Å; E93-K97 IonicContact OE2-NZ 3.66Å
94I97.7Very high96Very high111 Ų11193.1 Ų93.157%0.56945%0.454SS*.Hα-helixtrans-63.2-41.9178.2-70.2165000110.4Q90 R91 N92 L96 K97 A98Q90-I94 WeakPolarHBondContact O-CB 3.32Å; Q90-I94 VanDerWaalsContact O-CG1 3.25Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.48Å; R91-I94 PolarHBondContact O-N 3.44Å; N92-I94 PolarHBondContact O-N 2.92Å; I94-L96 PolarHBondContact O-N 3.05Å; I94-K97 PolarHBondContact O-N 3.32Å; I94-A98 VanDerWaalsContact O-CB 3.29Å; I94-A98 WeakPolarHBondContact O-CB 3.3Å; I94-A98 PolarHBondContact O-N 3.3Å
95K97.4Very high96.2Very high133 Ų13396.8 Ų96.858%0.57847%0.474SS*.Hα-helixtrans-59.5-46.7176-73.9172.7-178.7179.40111.8R91 N92 E93 A98 M99R91-K95 VanDerWaalsContact O-CG 3.31Å; R91-K95 WeakPolarHBondContact O-CG 3.42Å; R91-K95 PolarHBondContact O-N 3.33Å; N92-K95 PolarHBondContact O-N 2.91Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.43Å; K95-A98 PolarHBondContact O-N 3.19Å; K95-M99 WeakPolarHBondContact O-CG 3.48Å; K95-M99 PolarHBondContact O-N 3.34Å
96L98.1Very high96.3Very high123 Ų12396.2 Ų96.264%0.64447%0.473SS*.Hα-helixtrans-62.1-45.6178.1-69173.5000111.8N92 E93 I94 A98 M99 E100N92-L96 WeakPolarHBondContact O-CG 3.26Å; N92-L96 PolarHBondContact O-N 3.44Å; N92-L96 VanDerWaalsContact O-N 3.08Å; E93-L96 PolarHBondContact O-N 2.93Å; I94-L96 PolarHBondContact O-N 3.05Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.03Å; L96-M99 PolarHBondContact O-N 2.92Å; L96-E100 PolarHBondContact O-N 3.45Å
97K98.1Very high96.3Very high115 Ų11593.7 Ų93.750%0.547%0.468SS..Hα-helixtrans-64.2-36.9177.4-71.5169.6-178.11630112.2E93 I94 E100 L101E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 WeakPolarHBondContact O-CG 3.49Å; E93-K97 PolarHBondContact O-N 3.43Å; E93-K97 IonicContact OE2-NZ 3.66Å; I94-K97 PolarHBondContact O-N 3.32Å; K97-E100 PolarHBondContact O-N 3.04Å; K97-L101 WeakPolarHBondContact O-CB 3.41Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.29Å; K97-L101 PolarHBondContact O-N 2.74Å
98A98.3Very high96.2Very high40 Ų4096.7 Ų96.733%0.33148%0.484SS..Hα-helixtrans-63.9-45.4176.400000111.2I94 K95 L96 E100 L101 E102I94-A98 VanDerWaalsContact O-CB 3.29Å; I94-A98 WeakPolarHBondContact O-CB 3.3Å; I94-A98 PolarHBondContact O-N 3.3Å; K95-A98 PolarHBondContact O-N 3.19Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.03Å; A98-E100 PolarHBondContact O-N 3.27Å; A98-L101 PolarHBondContact O-N 3.38Å; A98-E102 WeakPolarHBondContact O-CG 3.44Å; A98-E102 PolarHBondContact O-N 3.05Å
99M97.9Very high96.1Very high110 Ų11097.2 Ų97.254%0.54249%0.486SS..Hα-helixtrans-60.3-45.1175.3-68.3178.967.700111.9K95 L96 L101 E102 E103K95-M99 WeakPolarHBondContact O-CG 3.48Å; K95-M99 PolarHBondContact O-N 3.34Å; L96-M99 PolarHBondContact O-N 2.92Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 3.22Å; M99-E102 PolarHBondContact O-N 3.47Å; M99-E103 WeakPolarHBondContact O-CG 3.45Å; M99-E103 PolarHBondContact O-N 3.31Å
100E97.9Very high95.8Very high97 Ų9797.5 Ų97.545%0.45349%0.491SS..Hα-helixtrans-62.4-37.2177.4-170.7-171.2168.100112.2L96 K97 A98 K104L96-E100 PolarHBondContact O-N 3.45Å; K97-E100 PolarHBondContact O-N 3.04Å; A98-E100 PolarHBondContact O-N 3.27Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.28Å; E100-K104 PolarHBondContact O-N 3.37Å; E100-K104 VanDerWaalsContact O-N 3.14Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.45Å
101L98.2Very high95.6Very high113 Ų11398.8 Ų98.859%0.59250%0.495SS*.Hα-helixtrans-69-41.3176.1-76.4172000112.1K97 A98 M99 K104 D105K97-L101 WeakPolarHBondContact O-CB 3.41Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.29Å; K97-L101 PolarHBondContact O-N 2.74Å; A98-L101 PolarHBondContact O-N 3.38Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 3.22Å; L101-K104 PolarHBondContact O-N 2.83Å; L101-D105 WeakPolarHBondContact O-CB 3.33Å; L101-D105 PolarHBondContact O-N 2.96Å
102E97.2Very high95.3Very high128 Ų12898.3 Ų98.360%0.59850%0.497SS*.Hα-helixtrans-60.9-43.5175.5-74.8175.7-17500111.4A98 M99 K104 D105 L106A98-E102 WeakPolarHBondContact O-CG 3.44Å; A98-E102 PolarHBondContact O-N 3.05Å; M99-E102 PolarHBondContact O-N 3.47Å; E102-K104 PolarHBondContact O-N 2.97Å; E102-D105 PolarHBondContact O-N 2.64Å; E102-L106 WeakPolarHBondContact O-CB 3.4Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.46Å; E102-L106 PolarHBondContact O-N 3.01Å
103E97Very high94.7Very high130 Ų13097 Ų9761%0.60749%0.488SS*.Hα-helixtrans-62.1-42.3176.2-72.3177.8-177.700112.4M99 A107M99-E103 WeakPolarHBondContact O-CG 3.45Å; M99-E103 PolarHBondContact O-N 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.38Å; E103-A107 PolarHBondContact O-N 3.33Å
104K97.2Very high94.2Very high108 Ų108100.4 Ų100.447%0.4750%0.504SS..Hα-helixtrans-65.3-42.2176.3-74.3173.6-174.8167.70111.7E100 L101 E102 A107 L108E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.28Å; E100-K104 PolarHBondContact O-N 3.37Å; E100-K104 VanDerWaalsContact O-N 3.14Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.45Å; L101-K104 PolarHBondContact O-N 2.83Å; E102-K104 PolarHBondContact O-N 2.97Å; K104-A107 PolarHBondContact O-N 3.35Å; K104-L108 WeakPolarHBondContact O-CG 3.3Å; K104-L108 PolarHBondContact O-N 3.01Å
105D95.7Very high93.7Very high84 Ų84101.6 Ų101.645%0.44951%0.507SS..Hα-helixtrans-63.4-46.1178.6-168.455.4000110.9L101 E102 A107 L108 Q109L101-D105 WeakPolarHBondContact O-CB 3.33Å; L101-D105 PolarHBondContact O-N 2.96Å; E102-D105 PolarHBondContact O-N 2.64Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.44Å; D105-L108 PolarHBondContact O-N 3.38Å; D105-Q109 VanDerWaalsContact O-CG 3.3Å; D105-Q109 WeakPolarHBondContact O-CG 3.45Å; D105-Q109 PolarHBondContact O-N 3.32Å; D105-Q109 PolarHBondContact OD2-NE2 3.47Å
106L94.1Very high92.9Very high111 Ų11198.1 Ų98.158%0.58151%0.509SS*.Hα-helixtrans-59.8-41174.5-71.5171.9000112.6E102 Q109 A110E102-L106 WeakPolarHBondContact O-CB 3.4Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.46Å; E102-L106 PolarHBondContact O-N 3.01Å; L106-Q109 PolarHBondContact O-N 2.93Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.31Å
107A94.1Very high91.7Very high51 Ų5198.4 Ų98.442%0.42151%0.51SS..Hα-helixtrans-67.5-35.3177.100000112.7E103 K104 D105 K111E103-A107 WeakPolarHBondContact O-CB 3.38Å; E103-A107 PolarHBondContact O-N 3.33Å; K104-A107 PolarHBondContact O-N 3.35Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.44Å; A107-K111 WeakPolarHBondContact O-CG 3.32Å; A107-K111 PolarHBondContact O-N 3.48Å
108L92.3Very high90.2Very high96 Ų9695.9 Ų95.950%0.50350%0.504SS..Hα-helixtrans-68.9-47.1173.9-71.7174.7000111K104 D105 A110 K111 E112K104-L108 WeakPolarHBondContact O-CG 3.3Å; K104-L108 PolarHBondContact O-N 3.01Å; D105-L108 PolarHBondContact O-N 3.38Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.14Å; L108-K111 WeakPolarHBondContact O-CB 3.34Å; L108-K111 PolarHBondContact O-N 3.04Å; L108-K111 VanDerWaalsContact O-N 3.09Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 2.78Å
109Q88.6Confident88.5Confident76 Ų7698.2 Ų98.236%0.35552%0.524SS..Hα-helixtrans-55.8-42.8175.2-71177.72200111.4D105 L106 K111 E112 H113D105-Q109 VanDerWaalsContact O-CG 3.3Å; D105-Q109 WeakPolarHBondContact O-CG 3.45Å; D105-Q109 PolarHBondContact O-N 3.32Å; D105-Q109 PolarHBondContact OD2-NE2 3.47Å; L106-Q109 PolarHBondContact O-N 2.93Å; Q109-K111 PolarHBondContact O-N 3.32Å; Q109-E112 PolarHBondContact O-N 2.88Å; Q109-H113 WeakPolarHBondContact O-CB 3.45Å; Q109-H113 PolarHBondContact O-CD2 2.86Å; Q109-H113 PolarHBondContact O-N 3.31Å
110A89.8Confident86.7Confident48 Ų4897.4 Ų97.440%0.39753%0.525SS..Hα-helixtrans-60.4-42.3176.800000112.6L106 L108 H113 E114L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.31Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.14Å; A110-H113 WeakPolarHBondContact O-CB 3.47Å; A110-H113 PolarHBondContact O-N 3.48Å; A110-E114 WeakPolarHBondContact O-CG 3.41Å; A110-E114 PolarHBondContact O-N 3.17Å
111K90.8Very high84.9Confident120 Ų12098.5 Ų98.552%0.52254%0.54SS..Hα-helixtrans-66.4-44.1175.6-70.2175.3-178.7-178.80112.2A107 L108 Q109 H113 E114 E115A107-K111 WeakPolarHBondContact O-CG 3.32Å; A107-K111 PolarHBondContact O-N 3.48Å; L108-K111 WeakPolarHBondContact O-CB 3.34Å; L108-K111 PolarHBondContact O-N 3.04Å; L108-K111 VanDerWaalsContact O-N 3.09Å; Q109-K111 PolarHBondContact O-N 3.32Å; K111-H113 PolarHBondContact O-N 2.86Å; K111-E114 WeakPolarHBondContact O-CB 3.39Å; K111-E114 PolarHBondContact O-N 2.8Å; K111-E114 VanDerWaalsContact O-N 3.1Å; K111-E115 WeakPolarHBondContact O-CG 3.49Å; K111-E115 PolarHBondContact O-N 3.28Å
112E87.9Confident82.7Confident82 Ų8296 Ų9638%0.38354%0.536SS..Hα-helixtrans-62.3-33177.3-70.3178171.200112.1L108 Q109 G116 L117 V118L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 2.78Å; Q109-E112 PolarHBondContact O-N 2.88Å; E112-G116 PolarHBondContact O-N 3.09Å; E112-G116 VanDerWaalsContact O-N 3.15Å; E112-L117 PolarHBondContact O-N 3.26Å; E112-V118 HydrophobicContact CB-CB 4.33Å; E112-V118 HydrophobicContact CB-CG2 3.84Å; E112-V118 PolarHBondContact O-N 2.95Å; E112-V118 WeakPolarHBondContact OE2-CG2 3.41Å
113H83.3Confident80.6Confident63 Ų63101.3 Ų101.329%0.29255%0.551SS.*Hα-helixtrans-67.9-43.2171-76.7-53.5000112.5Q109 A110 K111 E115 G116 V118Q109-H113 WeakPolarHBondContact O-CB 3.45Å; Q109-H113 PolarHBondContact O-CD2 2.86Å; Q109-H113 PolarHBondContact O-N 3.31Å; A110-H113 WeakPolarHBondContact O-CB 3.47Å; A110-H113 PolarHBondContact O-N 3.48Å; K111-H113 PolarHBondContact O-N 2.86Å; H113-E115 VanDerWaalsContact C-N 3.32Å; H113-E115 PolarHBondContact O-N 2.95Å; H113-G116 PolarHBondContact O-N 3.18Å; H113-G116 VanDerWaalsContact O-N 3.16Å; H113-V118 PolarHBondContact ND1-O 2.94Å
114E85.8Confident78.2Confident169 Ų169100.8 Ų100.879%0.7956%0.557SS**Hα-helixtrans-62-39.6174.9-73.5176.8-176.100112.1A110 K111 G116A110-E114 WeakPolarHBondContact O-CG 3.41Å; A110-E114 PolarHBondContact O-N 3.17Å; K111-E114 WeakPolarHBondContact O-CB 3.39Å; K111-E114 PolarHBondContact O-N 2.8Å; K111-E114 VanDerWaalsContact O-N 3.1Å; E114-G116 PolarHBondContact O-N 2.7Å
115E87.8Confident76.1Confident137 Ų137100.8 Ų100.864%0.6457%0.566SS**THydrogen-bonded Turntrans-75-9.9177.1-68.2176.1-176.200113K111 H113 L117K111-E115 WeakPolarHBondContact O-CG 3.49Å; K111-E115 PolarHBondContact O-N 3.28Å; H113-E115 VanDerWaalsContact C-N 3.32Å; H113-E115 PolarHBondContact O-N 2.95Å; E115-L117 VanDerWaalsContact C-N 3.26Å; E115-L117 HydrophobicContact CB-CD1 4.2Å; E115-L117 HydrophobicContact CB-CG 4.19Å; E115-L117 PolarHBondContact O-N 2.79Å; E115-L117 WeakPolarHBondContact OE2-CD1 3.49Å
116G81.1Confident74Confident60 Ų6099.7 Ų99.762%0.61957%0.568SS**THydrogen-bonded Turntrans72.215.117900000114.5E112 H113 E114E112-G116 PolarHBondContact O-N 3.09Å; E112-G116 VanDerWaalsContact O-N 3.15Å; H113-G116 PolarHBondContact O-N 3.18Å; H113-G116 VanDerWaalsContact O-N 3.16Å; E114-G116 PolarHBondContact O-N 2.7Å
117L72.9Confident72Confident129 Ų129103.8 Ų103.868%0.67558%0.581SS**SBendtrans-75.9-31.8178.6-68171.7000111.8E112 E115E112-L117 PolarHBondContact O-N 3.26Å; E115-L117 VanDerWaalsContact C-N 3.26Å; E115-L117 HydrophobicContact CB-CD1 4.2Å; E115-L117 HydrophobicContact CB-CG 4.19Å; E115-L117 PolarHBondContact O-N 2.79Å; E115-L117 WeakPolarHBondContact OE2-CD1 3.49Å
118V66.1Low70.1Confident61 Ų61104.9 Ų104.937%0.3760%0.597SS.*SBendtrans-113.7119.9178.6179.90000109.5E112 H113 T120E112-V118 HydrophobicContact CB-CB 4.33Å; E112-V118 HydrophobicContact CB-CG2 3.84Å; E112-V118 PolarHBondContact O-N 2.95Å; E112-V118 WeakPolarHBondContact OE2-CG2 3.41Å; H113-V118 PolarHBondContact ND1-O 2.94Å; V118-T120 PolarHBondContact O-N 2.77Å
119A63.8Low68.2Low90 Ų90107.3 Ų107.374%0.74461%0.606SS**  trans-58.8124.3172.400000108.7
120T59.3Low66.7Low93 Ų93108.1 Ų108.157%0.57163%0.626SS**  trans-49.3138.7163.653.80000107.3V118 A122V118-T120 PolarHBondContact O-N 2.77Å; T120-A122 PolarHBondContact O-N 2.62Å
121P59.9Low65.2Low119 Ų119111.1 Ų111.177%0.77364%0.643SS**  trans-63.584.2162.528.5-31.9000105.4R123P121-R123 PolarHBondContact O-N 2.99Å
122A51.8Low63.8Low61 Ų61107.2 Ų107.250%0.50463%0.634SS.*  trans-52.2122172.800000103.3T120 T124T120-A122 PolarHBondContact O-N 2.62Å; A122-T124 HydrophobicContact CB-CG2 4.1Å; A122-T124 WeakPolarHBondContact O-CG2 3.39Å; A122-T124 PolarHBondContact O-N 2.62Å
123R53.2Low62.4Low240 Ų240107.3 Ų107.391%0.90665%0.648SS**  trans-61.681.6171.2-152.9177.8-170.6-173.61.7104.4P121 V125P121-R123 PolarHBondContact O-N 2.99Å; R123-V125 PolarHBondContact O-N 3.2Å
124T47.1Very low61.1Low118 Ų118106.8 Ų106.872%0.72465%0.649SS**  trans-7485.9-174.644.20000104.7A122 A126A122-T124 HydrophobicContact CB-CG2 4.1Å; A122-T124 WeakPolarHBondContact O-CG2 3.39Å; A122-T124 PolarHBondContact O-N 2.62Å; T124-A126 PolarHBondContact O-N 3.1Å
125V53.4Low59.4Low109 Ų109108.3 Ų108.366%0.66165%0.654SS**  trans-65.583.3153.7-173.20000103.9R123 K127R123-V125 PolarHBondContact O-N 3.2Å; V125-K127 HydrophobicContact CG1-CB 4.34Å; V125-K127 PolarHBondContact O-N 3.16Å
126A50.8Low57.9Low61 Ų61105.1 Ų105.150%0.50466%0.658SS.*  trans-66.175.4174.100000107.8T124 G128T124-A126 PolarHBondContact O-N 3.1Å; A126-G128 PolarHBondContact O-N 3.02Å
127K52.8Low56.7Low197 Ų197109.2 Ų109.286%0.85766%0.658SS**  trans-84.684.2176.4-159.4174.5-174.2177.80106.5V125V125-K127 HydrophobicContact CG1-CB 4.34Å; V125-K127 PolarHBondContact O-N 3.16Å
128G54.5Low56Low73 Ų73112 Ų11275%0.75367%0.668SS**SBendtrans144.31164.100000120.1A126A126-G128 PolarHBondContact O-N 3.02Å
129H52.4Low55.8Low147 Ų147117.3 Ų117.368%0.68169%0.689SS**  trans-90.9115173.9-82.9-63.4000111.8S131 A132H129-S131 PolarHBondContact O-N 3.5Å; H129-S131 VanDerWaalsContact O-N 3.1Å; H129-A132 HydrophobicContact CB-CB 3.96Å; H129-A132 PolarHBondContact O-N 3.33Å; H129-A132 VanDerWaalsContact O-N 3.14Å
130A55.6Low55.9Low94 Ų94119.3 Ų119.378%0.77769%0.686SS**THydrogen-bonded Turntrans-61.1-17.6-179.500000114.6
131S58.5Low56.3Low110 Ų110118 Ų11877%0.76968%0.681SS**THydrogen-bonded Turntrans-104.4-5.2179.751.80000114.2H129 A133H129-S131 PolarHBondContact O-N 3.5Å; H129-S131 VanDerWaalsContact O-N 3.1Å; S131-A133 PolarHBondContact O-N 3.4Å
132A62.3Low57Low39 Ų39118 Ų11832%0.32267%0.671SS.*SBendtrans-76.4119.817900000109.5H129 V134H129-A132 HydrophobicContact CB-CB 3.96Å; H129-A132 PolarHBondContact O-N 3.33Å; H129-A132 VanDerWaalsContact O-N 3.14Å; A132-V134 PolarHBondContact O-N 2.92Å
133A58.2Low58.2Low83 Ų83122.4 Ų122.469%0.68668%0.681SS**  trans-61126.4171.200000108.7S131 F135S131-A133 PolarHBondContact O-N 3.4Å; A133-F135 PolarHBondContact O-N 3.01Å
134V56.7Low59.5Low52 Ų52115 Ų11532%0.31566%0.664SS.*  trans-72.869.9172.9-173.50000108.3A132 K137A132-V134 PolarHBondContact O-N 2.92Å; V134-K137 HydrophobicContact CG1-CB 4.22Å; V134-K137 HydrophobicContact CG1-CD 3.52Å; V134-K137 HydrophobicContact CG1-CG 3.8Å
135F49.8Very low60.9Low202 Ų202112 Ų11289%0.88665%0.646SS**  trans-108.7119.1176.4-162.8-97.2000107.8A133A133-F135 PolarHBondContact O-N 3.01Å
136G56Low61.7Low70 Ų70110.9 Ų110.972%0.72264%0.643SS**SBendtrans101.712.6179.600000116.7E138G136-E138 PolarHBondContact O-N 3.15Å
137K56.4Low62.6Low145 Ų145109.7 Ų109.763%0.6363%0.629SS**  trans-80.4112.2162.5-68-170.7-173.1172.90108.6V134V134-K137 HydrophobicContact CG1-CB 4.22Å; V134-K137 HydrophobicContact CG1-CD 3.52Å; V134-K137 HydrophobicContact CG1-CG 3.8Å
138E57.1Low63.6Low189 Ų189104.5 Ų104.588%0.88362%0.623SS**  trans-74.7-14.6171-70.7176.6163.700112.2G136 L140G136-E138 PolarHBondContact O-N 3.15Å; E138-L140 PolarHBondContact O-N 3.42Å
139E62Low64.5Low172 Ų172109.1 Ų109.180%0.80463%0.63SS**SBendtrans-82108.7-179.8-64.3178.8-177.300110.7S141E139-S141 PolarHBondContact O-N 3.01Å
140L65.1Low65.4Low131 Ų131110 Ų11069%0.68663%0.632SS**  trans-64.3119.7167.3-63.8172.5000108.5E138E138-L140 PolarHBondContact O-N 3.42Å
141S68Low66.3Low66 Ų66112 Ų11246%0.46262%0.623SS.*  trans-99142.1177.857.10000111.2E139 E143 G154 S155E139-S141 PolarHBondContact O-N 3.01Å; S141-E143 VanDerWaalsContact C-N 3.33Å; S141-G154 WeakPolarHBondContact O-CA 3.44Å; S141-S155 PolarHBondContact O-N 2.97Å
142E75.8Confident67.3Low119 Ų119111.3 Ų111.356%0.55661%0.608SS**SBendtrans-70.5-31.2175.5-66.2-178.5-178.900111.8M157E142-M157 HydrophobicContact CG-CB 4.12Å; E142-M157 HydrophobicContact CG-CG 4.08Å; E142-M157 HydrophobicContact CG-SD 4.19Å
143E77.1Confident68.1Low154 Ų154114.3 Ų114.372%0.7262%0.624SS**SBendtrans-83130.6-176.6-65.3-178.8177.800111.4S141 T145S141-E143 VanDerWaalsContact C-N 3.33Å; E143-T145 PolarHBondContact O-N 2.98Å
144P79.9Confident69.2Low84 Ų84111.8 Ų111.855%0.54561%0.606SS.*  trans-65.6136.7175.928.2-33.7000110.4F151P144-F151 HydrophobicContact CB-CE2 3.88Å; P144-F151 HydrophobicContact CB-CZ 3.84Å
145T75.6Confident70.4Confident56 Ų56111.7 Ų111.734%0.34461%0.608SS.*EExtended strand (participates in β ladder)trans-116.2132.3178.6-58.40000110E143 Q152E143-T145 PolarHBondContact O-N 2.98Å; T145-Q152 PolarHBondContact N-O 3.33Å; T145-Q152 PolarHBondContact O-N 2.89Å
146S70.6Confident71.7Confident85 Ų85112.3 Ų112.359%0.59461%0.605SS**EExtended strand (participates in β ladder)trans-112.1119.6174.4-172.30000110.1
147T70.6Confident72.8Confident36 Ų36113.3 Ų113.322%0.22159%0.592CS.*EExtended strand (participates in β ladder)trans-115.7107.3173.9-57.40000109.2N149 K150T147-N149 PolarHBondContact O-N 3.44Å; T147-K150 PolarHBondContact N-O 2.91Å; T147-K150 PolarHBondContact O-N 2.89Å
148A73.3Confident73.7Confident88 Ų88111 Ų11173%0.72759%0.592SS**THydrogen-bonded Turntrans46.7-106.2-177.800000112.5
149N74.3Confident74.4Confident170 Ų170106.6 Ų106.691%0.90958%0.578SS**THydrogen-bonded Turntrans-966-178-69.3-13.8000114.4T147T147-N149 PolarHBondContact O-N 3.44Å
150K70.2Confident74.5Confident166 Ų166104.4 Ų104.472%0.72258%0.581SS**EExtended strand (participates in β ladder)trans-120.8115.6179.8-68-174.9-179-175.80110.3T147T147-K150 PolarHBondContact N-O 2.91Å; T147-K150 PolarHBondContact O-N 2.89Å
151F75.8Confident74.3Confident134 Ų134107 Ų10759%0.58859%0.587SS**EExtended strand (participates in β ladder)trans-90.9126.6171.2177.5-103.2000109.5P144 P153P144-F151 HydrophobicContact CB-CE2 3.88Å; P144-F151 HydrophobicContact CB-CZ 3.84Å; F151-P153 HydrophobicContact CE1-CB 3.99Å
152Q78.2Confident73.6Confident97 Ų97117.2 Ų117.245%0.45362%0.623SS.*EExtended strand (participates in β ladder)trans-107.5112.5170.8-71.3-175.7-46.900108.6T145T145-Q152 PolarHBondContact N-O 3.33Å; T145-Q152 PolarHBondContact O-N 2.89Å
153P79.6Confident73.4Confident101 Ų101117.2 Ų117.266%0.65663%0.627SS**PPolyproline II helixtrans-65.8139.9175.227.3-32.3000109.9F151F151-P153 HydrophobicContact CE1-CB 3.99Å
154G82.2Confident73.3Confident30 Ų30115.2 Ų115.231%0.30962%0.622SS.*PPolyproline II helixtrans-64.8146.9172.800000111S141S141-G154 WeakPolarHBondContact O-CA 3.44Å
155S81.4Confident72.9Confident51 Ų51116.9 Ų116.936%0.35763%0.626SS.*PPolyproline II helixtrans-89.9123.1176.2-174.30000109S141 M157S141-S155 PolarHBondContact O-N 2.97Å; S155-M157 PolarHBondContact O-N 3.1Å
156W76.6Confident72.7Confident214 Ų214120.5 Ų120.581%0.81164%0.643SS**PPolyproline II helixtrans-63.8125.2176-177.881000110.2P158W156-P158 HydrophobicContact CH2-CB 3.81Å; W156-P158 HydrophobicContact CZ3-CB 3.94Å; W156-P158 HydrophobicContact CZ3-CG 4.45Å
157M79Confident72.9Confident91 Ų91122.8 Ų122.845%0.44865%0.646SS.*  trans-109.7131.2173.3-65.3-17564.600109.4E142 S155 T159E142-M157 HydrophobicContact CG-CB 4.12Å; E142-M157 HydrophobicContact CG-CG 4.08Å; E142-M157 HydrophobicContact CG-SD 4.19Å; S155-M157 PolarHBondContact O-N 3.1Å; M157-T159 PolarHBondContact O-N 3.14Å; M157-T159 VanDerWaalsContact O-N 3.13Å
158P76.3Confident73Confident97 Ų97128.5 Ų128.563%0.6367%0.674SS**  trans-66.7115.8178.225.6-31.6000109.5W156 S160W156-P158 HydrophobicContact CH2-CB 3.81Å; W156-P158 HydrophobicContact CZ3-CB 3.94Å; W156-P158 HydrophobicContact CZ3-CG 4.45Å; P158-S160 PolarHBondContact O-N 3.36Å
159T71.7Confident73Confident96 Ų96131.4 Ų131.459%0.58967%0.67SS**  trans-63.3119.5174.659.40000109.2M157 K161M157-T159 PolarHBondContact O-N 3.14Å; M157-T159 VanDerWaalsContact O-N 3.13Å; T159-K161 PolarHBondContact O-N 3.39Å
160S64.3Low72.9Confident126 Ų126128.5 Ų128.588%0.88165%0.652SS**  trans-72.577.6167.4520000109.2P158 K162P158-S160 PolarHBondContact O-N 3.36Å; S160-K162 PolarHBondContact O-N 3.37Å
161K60.5Low73.1Confident185 Ų185125.3 Ų125.380%0.80465%0.646SS**  trans-67.9120.4167-72.5-173.1-179.8-178.60108T159T159-K161 PolarHBondContact O-N 3.39Å
162K51.8Low72.9Confident282 Ų282124.5 Ų124.5100%1.22665%0.651SS**  trans-57.80166.4-104.9179.3176.7178.50111.2S160S160-K162 PolarHBondContact O-N 3.37Å

Retrieved 162 of 162 residues in 27.4 ms (Link to these results)

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