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Leptin

Key player in the regulation of energy balance and body weight control. Once released into the circulation, has central and peripheral effects by binding LEPR, found in many tissues, which results in the activation of several major signaling pathways. In the hypothalamus, acts as an appetite-regulating factor that induces a decrease in food intake and an increase in energy consumption by inducing anorexinogenic factors and suppressing orexigenic neuropeptides, also regulates bone mass and secretion of hypothalamo-pituitary-adrenal hormones. In the periphery, increases basal metabolism, influences reproductive function, regulates pancreatic beta-cell function and insulin secretion, is pro-angiogenic for endothelial cell and affects innate and adaptive immunity. In the arcuate nucleus of the hypothalamus, activates by depolarization POMC neurons inducing FOS and SOCS3 expression to release anorexigenic peptides and inhibits by hyperpolarization NPY neurons inducing SOCS3 with a consequent reduction on release of orexigenic peptides. In addition to its known satiety inducing effect, has a modulatory role in nutrient absorption. In the intestine, reduces glucose absorption by enterocytes by activating PKC and leading to a sequential activation of p38, PI3K and ERK signaling pathways which exerts an inhibitory effect on glucose absorption. Acts as a growth factor on certain tissues, through the activation of different signaling pathways increases expression of genes involved in cell cycle regulation such as CCND1, via JAK2-STAT3 pathway, or VEGFA, via MAPK1/3 and PI3K-AKT1 pathways. May also play an apoptotic role via JAK2-STAT3 pathway and up-regulation of BIRC5 expression. Pro-angiogenic, has mitogenic activity on vascular endothelial cells and plays a role in matrix remodeling by regulating the expression of matrix metalloproteinases (MMPs) and tissue inhibitors of metalloproteinases (TIMPs). In innate immunity, modulates the activity and function of neutrophils by increasing chemotaxis and the secretion of oxygen radicals. Increases phagocytosis by macrophages and enhances secretion of pro-inflammatory mediators. Increases cytotoxic ability of NK cells. Plays a pro-inflammatory role, in synergy with IL1B, by inducing NOS2 which promotes the production of IL6, IL8 and Prostaglandin E2, through a signaling pathway that involves JAK2, PI3K, MAP2K1/MEK1 and MAPK14/p38. In adaptive immunity, promotes the switch of memory T-cells towards T helper-1 cell immune responses. Increases CD4(+)CD25(-) T-cell proliferation and reduces autophagy during TCR (T-cell receptor) stimulation, through MTOR signaling pathway activation and BCL2 up-regulation.

AlphaFold DB , UniProt , Accession A0A096MW62, Species PAPAN (Papio anubis, Olive baboon), Gene LEP, Length 167 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
1M42.9Very low55.8Low240 Ų240169.7 Ų169.7100%1.18275%0.754SS**  085.20-160.9142.3108.200108.5
2Y55.1Low55.8Low213 Ų213164.5 Ų164.584%0.83574%0.738SS**  trans-144.555.3-172-112.2-77.6000111.7
3W54.3Low56Low237 Ų237162.8 Ų162.890%0.89872%0.723SS**  trans-117.410.9-178.7-86.124.9000114
4R56.5Low56.2Low236 Ų236156.9 Ų156.989%0.89171%0.708SS**SBendtrans-81.8-28.9-176.3-89.5-177.2165-166-4.6117.5
5P56Low56.3Low81 Ų81159.3 Ų159.353%0.52671%0.711SS.*Hα-helixtrans-84.8-15.8-172.530-30.5000114.4
6L55.8Low56.4Low127 Ų127157.5 Ų157.567%0.66571%0.71SS**Hα-helixtrans-73.5-31.1-179.4-84.5156000113.3L10L6-L10 PolarHBondContact O-N 3.22Å
7W58.2Low56.2Low213 Ų213157.4 Ų157.481%0.80771%0.708SS**Hα-helixtrans-74.9-26.3-180-98.112.7000114.3W11W7-W11 PolarHBondContact O-N 3.06Å
8G60.5Low55.8Low43 Ų43158.2 Ų158.244%0.44371%0.706SS.*Hα-helixtrans-67.8-37.6176.300000112.9
9F56.3Low55.7Low167 Ų167157.5 Ų157.573%0.73271%0.708SS**Hα-helixtrans-74.1-33.1177.1-83-82.6000113W11 L12F9-W11 VanDerWaalsContact C-N 3.26Å; F9-W11 PolarHBondContact O-N 2.96Å; F9-L12 PolarHBondContact O-N 2.8Å
10L59.1Low55.4Low97 Ų97156.6 Ų156.651%0.50871%0.705SS.*Hα-helixtrans-65.1-28.6174.9-96.7148.1000113L6 W13L6-L10 PolarHBondContact O-N 3.22Å; L10-W13 HydrophobicContact CD2-CE3 4Å; L10-W13 HydrophobicContact CD2-CZ3 4.18Å; L10-W13 HydrophobicContact CG-CE3 4.39Å
11W59Low55.6Low213 Ų213152.9 Ų152.981%0.80770%0.703SS**Hα-helixtrans-82-18.9-176.4-146.24.9000114W7 F9 P14W7-W11 PolarHBondContact O-N 3.06Å; F9-W11 VanDerWaalsContact C-N 3.26Å; F9-W11 PolarHBondContact O-N 2.96Å; W11-P14 WeakPolarHBondContact O-CD 3.49Å
12L55.9Low56.6Low107 Ų107146 Ų14656%0.5667%0.674SS**Hα-helixtrans-83.9-15.4174.2-78.9162000113.2F9 Y15 L16F9-L12 PolarHBondContact O-N 2.8Å; L12-Y15 PolarHBondContact O-N 3.27Å; L12-L16 PolarHBondContact O-N 3.48Å
13W57.9Low57.7Low143 Ų143139.5 Ų139.554%0.54266%0.658SS.*Hα-helixtrans-59.2-45-179.8-127.2-30.2000114.8L10 Y15 L16 F17L10-W13 HydrophobicContact CD2-CE3 4Å; L10-W13 HydrophobicContact CD2-CZ3 4.18Å; L10-W13 HydrophobicContact CG-CE3 4.39Å; W13-Y15 PolarHBondContact O-N 3.31Å; W13-L16 PolarHBondContact O-N 3.21Å; W13-F17 AromaticContact CD1-CD2 3.75Å; W13-F17 AromaticContact CD1-CE2 3.25Å; W13-F17 HydrophobicContact CG-CD2 4.49Å; W13-F17 HydrophobicContact CG-CE2 4.12Å; W13-F17 AromaticContact NE1-CE2 3.49Å; W13-F17 VanDerWaalsContact O-CD2 3.24Å; W13-F17 WeakPolarHBondContact O-CD2 2.95Å; W13-F17 PolarHBondContact O-N 2.9Å
14P59.5Low59.1Low80 Ų80131.8 Ų131.852%0.51963%0.634SS.*Hα-helixtrans-67-22.3179.623.6-32.5000113.7W11W11-P14 WeakPolarHBondContact O-CD 3.49Å
15Y57.8Low60.4Low192 Ų192128.1 Ų128.175%0.75363%0.626SS**Hα-helixtrans-76.4-30174.9-80-81.4000112.8L12 W13 F17L12-Y15 PolarHBondContact O-N 3.27Å; W13-Y15 PolarHBondContact O-N 3.31Å; Y15-F17 VanDerWaalsContact C-N 3.34Å
16L57.1Low62Low131 Ų131129.1 Ų129.169%0.68662%0.623SS**Hα-helixtrans-77.3-21.3174.3-66.4173.8000112.8L12 W13L12-L16 PolarHBondContact O-N 3.48Å; W13-L16 PolarHBondContact O-N 3.21Å
17F54Low63.7Low155 Ų155123.6 Ų123.668%0.6859%0.594SS**THydrogen-bonded Turntrans-88.8-1176.6-79.3-67.8000114.3W13 Y15 I19W13-F17 AromaticContact CD1-CD2 3.75Å; W13-F17 AromaticContact CD1-CE2 3.25Å; W13-F17 HydrophobicContact CG-CD2 4.49Å; W13-F17 HydrophobicContact CG-CE2 4.12Å; W13-F17 AromaticContact NE1-CE2 3.49Å; W13-F17 VanDerWaalsContact O-CD2 3.24Å; W13-F17 WeakPolarHBondContact O-CD2 2.95Å; W13-F17 PolarHBondContact O-N 2.9Å; Y15-F17 VanDerWaalsContact C-N 3.34Å; F17-I19 PolarHBondContact O-N 3.42Å
18Y48Very low65.3Low172 Ų172115.3 Ų115.368%0.67556%0.564SS**  trans-80.451.4171.2-152.3-89.1000111.1Q20Y18-Q20 HydrophobicContact CE1-CB 4.17Å; Y18-Q20 PolarHBondContact O-N 3.36Å; Y18-Q20 PolarHBondContact OH-OE1 3.45Å
19I55.3Low66.9Low145 Ų145116 Ų11674%0.74456%0.562SS**  trans-85.394.3157.2-59.9177.1000103.7F17 A21F17-I19 PolarHBondContact O-N 3.42Å; I19-A21 PolarHBondContact O-N 3.39Å
20Q49.6Very low68.8Low139 Ų139110.6 Ų110.665%0.6554%0.541SS*.  trans-64.792.2174-170.2159.8-400107.2Y18 V22Y18-Q20 HydrophobicContact CE1-CB 4.17Å; Y18-Q20 PolarHBondContact O-N 3.36Å; Y18-Q20 PolarHBondContact OH-OE1 3.45Å; Q20-V22 PolarHBondContact O-N 3.5Å; Q20-V22 VanDerWaalsContact O-N 3.13Å
21A59.2Low70.5Confident80 Ų80106 Ų10666%0.66152%0.517SS*.PPolyproline II helixtrans-51.9123.1173.500000107.2I19 P23I19-A21 PolarHBondContact O-N 3.39Å; A21-P23 WeakPolarHBondContact O-CD 3.41Å; A21-P23 VanDerWaalsContact O-N 3.1Å
22V63.5Low72.3Confident96 Ų9697.6 Ų97.658%0.58249%0.486SS*.PPolyproline II helixtrans-55.5122.7176.4179.90000106.5Q20 I24 K26 V27Q20-V22 PolarHBondContact O-N 3.5Å; Q20-V22 VanDerWaalsContact O-N 3.13Å; V22-I24 PolarHBondContact O-N 2.8Å; V22-K26 HydrophobicContact CG1-CB 4.49Å; V22-K26 HydrophobicContact CG1-CG 4.48Å; V22-V27 HydrophobicContact CB-CG2 4.36Å; V22-V27 HydrophobicContact CG1-CG2 3.65Å
23P79.2Confident74.3Confident75 Ų7596.1 Ų96.149%0.48748%0.481SS..PPolyproline II helixtrans-62129.8-173.918.2-25.3000108.6A21 Q25 K26 V27A21-P23 WeakPolarHBondContact O-CD 3.41Å; A21-P23 VanDerWaalsContact O-N 3.1Å; P23-Q25 PolarHBondContact O-N 3.27Å; P23-K26 HydrophobicContact CB-CB 4.49Å; P23-K26 HydrophobicContact CG-CB 3.78Å; P23-K26 WeakPolarHBondContact O-CA 3.42Å; P23-K26 VanDerWaalsContact O-CB 3.28Å; P23-K26 WeakPolarHBondContact O-CB 3.2Å; P23-K26 PolarHBondContact O-N 3.3Å; P23-V27 PolarHBondContact O-N 3.17Å
24I82.2Confident76.2Confident76 Ų7690.7 Ų90.739%0.3946%0.463SS..Hα-helixtrans-50.4-38.5-179-56.4-171.7000111V22 K26 V27 Q28 L111V22-I24 PolarHBondContact O-N 2.8Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 2.91Å; I24-V27 PolarHBondContact O-N 3.38Å; I24-Q28 WeakPolarHBondContact O-CB 3.28Å; I24-Q28 PolarHBondContact O-N 2.72Å; I24-L111 HydrophobicContact CG2-CD1 4Å
25Q85Confident78Confident158 Ų15887 Ų8774%0.73844%0.439SS*.Hα-helixtrans-59-36.1175.9-67179.1-1100113.1P23 S29P23-Q25 PolarHBondContact O-N 3.27Å; Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.12Å; Q25-S29 PolarHBondContact O-N 2.95Å
26K89.6Confident79.9Confident103 Ų10383.7 Ų83.745%0.44843%0.429SS..Hα-helixtrans-70.2-47.3176.5177.957.4173.9157.60111V22 P23 I24 Q28 S29 D30V22-K26 HydrophobicContact CG1-CB 4.49Å; V22-K26 HydrophobicContact CG1-CG 4.48Å; P23-K26 HydrophobicContact CB-CB 4.49Å; P23-K26 HydrophobicContact CG-CB 3.78Å; P23-K26 WeakPolarHBondContact O-CA 3.42Å; P23-K26 VanDerWaalsContact O-CB 3.28Å; P23-K26 WeakPolarHBondContact O-CB 3.2Å; P23-K26 PolarHBondContact O-N 3.3Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 2.91Å; K26-Q28 VanDerWaalsContact C-N 3.31Å; K26-Q28 PolarHBondContact O-N 3.34Å; K26-S29 WeakPolarHBondContact O-CB 3.49Å; K26-S29 PolarHBondContact O-N 3.41Å; K26-S29 VanDerWaalsContact O-N 3.15Å; K26-D30 WeakPolarHBondContact CD-OD2 3.22Å; K26-D30 WeakPolarHBondContact CE-OD1 3.15Å; K26-D30 WeakPolarHBondContact CE-OD2 3.23Å; K26-D30 IonicContact NZ-OD1 2.97Å; K26-D30 PolarHBondContact NZ-OD1 3.46Å; K26-D30 IonicContact NZ-OD2 2.59Å; K26-D30 PolarHBondContact NZ-OD2 3.34Å; K26-D30 WeakPolarHBondContact O-CB 3.38Å; K26-D30 VanDerWaalsContact O-CG 3.27Å; K26-D30 PolarHBondContact O-N 2.95Å
27V91Very high81.8Confident10 Ų1080.4 Ų80.46%0.06141%0.414CS..Hα-helixtrans-58.2-45.9176.2-176.80000110.5V22 P23 I24 S29 D30 T31 L107 L110 L111V22-V27 HydrophobicContact CB-CG2 4.36Å; V22-V27 HydrophobicContact CG1-CG2 3.65Å; P23-V27 PolarHBondContact O-N 3.17Å; I24-V27 PolarHBondContact O-N 3.38Å; V27-S29 PolarHBondContact O-N 3.41Å; V27-D30 PolarHBondContact O-N 3.35Å; V27-T31 WeakPolarHBondContact O-CB 3.25Å; V27-T31 PolarHBondContact O-N 2.77Å; V27-T31 PolarHBondContact O-OG1 2.86Å; V27-L107 HydrophobicContact CG1-CD2 4.37Å; V27-L110 HydrophobicContact CG1-CB 3.94Å; V27-L111 HydrophobicContact CG1-CB 4.17Å; V27-L111 HydrophobicContact CG1-CD1 4.49Å
28Q92.6Very high83.7Confident39 Ų3973 Ų7318%0.18238%0.382CS..Hα-helixtrans-62.7-41.6176.7-171.5-176-0.500112.2I24 K26 T31 K32 L111 L161I24-Q28 WeakPolarHBondContact O-CB 3.28Å; I24-Q28 PolarHBondContact O-N 2.72Å; K26-Q28 VanDerWaalsContact C-N 3.31Å; K26-Q28 PolarHBondContact O-N 3.34Å; Q28-T31 WeakPolarHBondContact O-CB 3.25Å; Q28-T31 PolarHBondContact O-N 2.8Å; Q28-K32 VanDerWaalsContact O-CG 3.3Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 2.96Å; Q28-L111 HydrophobicContact CB-CD1 4.23Å; Q28-L161 PolarHBondContact NE2-O 2.99Å
29S93.7Very high86Confident58 Ų5865.8 Ų65.841%0.40636%0.355SS..Hα-helixtrans-63.6-43175.8-178.20000112.2Q25 K26 V27 K32 T33Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.12Å; Q25-S29 PolarHBondContact O-N 2.95Å; K26-S29 WeakPolarHBondContact O-CB 3.49Å; K26-S29 PolarHBondContact O-N 3.41Å; K26-S29 VanDerWaalsContact O-N 3.15Å; V27-S29 PolarHBondContact O-N 3.41Å; S29-K32 PolarHBondContact O-N 3.43Å; S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.42Å; S29-T33 PolarHBondContact O-OG1 3.21Å
30D95.2Very high87.8Confident53 Ų5362.5 Ų62.528%0.28334%0.342SS..Hα-helixtrans-67.4-40.3179.3-67.9-16.1000110.4K26 V27 K32 T33 L34 L107K26-D30 WeakPolarHBondContact CD-OD2 3.22Å; K26-D30 WeakPolarHBondContact CE-OD1 3.15Å; K26-D30 WeakPolarHBondContact CE-OD2 3.23Å; K26-D30 IonicContact NZ-OD1 2.97Å; K26-D30 PolarHBondContact NZ-OD1 3.46Å; K26-D30 IonicContact NZ-OD2 2.59Å; K26-D30 PolarHBondContact NZ-OD2 3.34Å; K26-D30 WeakPolarHBondContact O-CB 3.38Å; K26-D30 VanDerWaalsContact O-CG 3.27Å; K26-D30 PolarHBondContact O-N 2.95Å; V27-D30 PolarHBondContact O-N 3.35Å; D30-K32 PolarHBondContact O-N 3.18Å; D30-T33 PolarHBondContact O-N 2.92Å; D30-L34 WeakPolarHBondContact O-CB 3.24Å; D30-L34 PolarHBondContact O-N 3.48Å; D30-L107 HydrophobicContact CB-CD1 4.47Å; D30-L107 HydrophobicContact CB-CD2 4.39Å
31T95.8Very high89.8Confident0 Ų058.8 Ų58.80%032%0.322CS..Hα-helixtrans-55.8-51.4172.4-51.30000110.8V27 Q28 T33 L34 I35 L104 L108 L161V27-T31 WeakPolarHBondContact O-CB 3.25Å; V27-T31 PolarHBondContact O-N 2.77Å; V27-T31 PolarHBondContact O-OG1 2.86Å; Q28-T31 WeakPolarHBondContact O-CB 3.25Å; Q28-T31 PolarHBondContact O-N 2.8Å; T31-T33 VanDerWaalsContact C-N 3.32Å; T31-T33 PolarHBondContact O-N 3.14Å; T31-L34 PolarHBondContact O-N 2.95Å; T31-I35 HydrophobicContact CG2-CD1 4.21Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.38Å; T31-L104 HydrophobicContact CG2-CD1 3.61Å; T31-L108 HydrophobicContact CG2-CD2 4.27Å; T31-L161 HydrophobicContact CG2-CD1 3.57Å
32K96.7Very high91.4Very high38 Ų3855 Ų5517%0.16529%0.291CS..Hα-helixtrans-62.3-38.6178.5-71.1175.6-177.3176.20112.4Q28 S29 D30 K36 L158 L161 D162Q28-K32 VanDerWaalsContact O-CG 3.3Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 2.96Å; S29-K32 PolarHBondContact O-N 3.43Å; D30-K32 PolarHBondContact O-N 3.18Å; K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.08Å; K32-L158 HydrophobicContact CB-CD1 3.75Å; K32-L158 HydrophobicContact CG-CD1 3.81Å; K32-L161 HydrophobicContact CG-CB 4.45Å; K32-L161 HydrophobicContact CG-CD1 4.35Å; K32-D162 VanDerWaalsContact CE-OD1 3.3Å; K32-D162 WeakPolarHBondContact CE-OD1 3.4Å; K32-D162 IonicContact NZ-OD1 3.59Å; K32-D162 PolarHBondContact NZ-OD1 3.28Å
33T97.6Very high92.6Very high75 Ų7553.1 Ų53.146%0.4628%0.277SS..Hα-helixtrans-66.2-43.2179.4-59.30000110.9S29 D30 T31 K36 T37S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.42Å; S29-T33 PolarHBondContact O-OG1 3.21Å; D30-T33 PolarHBondContact O-N 2.92Å; T31-T33 VanDerWaalsContact C-N 3.32Å; T31-T33 PolarHBondContact O-N 3.14Å; T33-K36 PolarHBondContact O-N 3.06Å; T33-T37 WeakPolarHBondContact O-CB 3.31Å; T33-T37 PolarHBondContact O-N 3.39Å; T33-T37 PolarHBondContact O-OG1 3.26Å
34L97.8Very high93Very high29 Ų2954.1 Ų54.115%0.15228%0.279CS..Hα-helixtrans-65.5-44.1176.9-176.257.6000111.4D30 T31 K36 T37 I38 D100 N103 L104 L107D30-L34 WeakPolarHBondContact O-CB 3.24Å; D30-L34 PolarHBondContact O-N 3.48Å; T31-L34 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.05Å; L34-T37 WeakPolarHBondContact O-CA 3.41Å; L34-T37 WeakPolarHBondContact O-CB 3.23Å; L34-T37 PolarHBondContact O-N 2.98Å; L34-T37 VanDerWaalsContact O-N 3.07Å; L34-I38 HydrophobicContact CD1-CD1 4.39Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 4.06Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.35Å; L34-D100 HydrophobicContact CD1-CB 4.28Å; L34-N103 HydrophobicContact CD2-CB 3.76Å; L34-L104 HydrophobicContact CD2-CB 3.88Å; L34-L104 HydrophobicContact CD2-CD1 4.4Å; L34-L107 HydrophobicContact CB-CD1 4.35Å; L34-L107 HydrophobicContact CD2-CD1 3.84Å
35I96.8Very high93Very high4 Ų450.6 Ų50.62%0.02126%0.261CS..Hα-helixtrans-54.3-49.8174.4-71.5170000111.2T31 T37 I38 V39 L104 L154 M157 L158 L161T31-I35 HydrophobicContact CG2-CD1 4.21Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.38Å; I35-T37 VanDerWaalsContact C-N 3.28Å; I35-T37 PolarHBondContact O-N 3.37Å; I35-I38 PolarHBondContact O-N 3.15Å; I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.18Å; I35-L104 HydrophobicContact CD1-CD1 4.15Å; I35-L104 HydrophobicContact CG1-CD1 3.67Å; I35-L104 HydrophobicContact CG1-CD2 3.75Å; I35-L104 HydrophobicContact CG1-CG 4.39Å; I35-L154 HydrophobicContact CG1-CD2 4.27Å; I35-L154 HydrophobicContact CG2-CB 4.06Å; I35-L154 HydrophobicContact CG2-CD2 4.34Å; I35-L154 VanDerWaalsContact CG2-O 3.29Å; I35-L154 WeakPolarHBondContact CG2-O 3.39Å; I35-M157 HydrophobicContact CD1-CB 4.19Å; I35-L158 HydrophobicContact CB-CD1 4.16Å; I35-L158 HydrophobicContact CD1-CD1 4.48Å; I35-L158 HydrophobicContact CG2-CB 4.02Å; I35-L158 HydrophobicContact CG2-CD1 3.97Å; I35-L158 HydrophobicContact CG2-CG 4.47Å; I35-L161 HydrophobicContact CD1-CD1 3.53Å
36K97.4Very high92.4Very high122 Ų12245.8 Ų45.853%0.5324%0.244SC..Hα-helixtrans-60.5-38.4177.6-71.9173.9-178.2179.50112.4K32 T33 L34 V39 T40 L158K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.08Å; T33-K36 PolarHBondContact O-N 3.06Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.05Å; K36-V39 PolarHBondContact O-N 3.39Å; K36-T40 WeakPolarHBondContact O-CB 3.4Å; K36-T40 PolarHBondContact O-N 3.28Å; K36-T40 PolarHBondContact O-OG1 3.03Å; K36-L158 HydrophobicContact CG-CD1 4.35Å; K36-L158 HydrophobicContact CG-CD2 4.17Å
37T96.8Very high91.3Very high62 Ų6248.3 Ų48.338%0.3826%0.257SS..Hα-helixtrans-63.1-45.6177-57.90000111T33 L34 I35 T40 R41T33-T37 WeakPolarHBondContact O-CB 3.31Å; T33-T37 PolarHBondContact O-N 3.39Å; T33-T37 PolarHBondContact O-OG1 3.26Å; L34-T37 WeakPolarHBondContact O-CA 3.41Å; L34-T37 WeakPolarHBondContact O-CB 3.23Å; L34-T37 PolarHBondContact O-N 2.98Å; L34-T37 VanDerWaalsContact O-N 3.07Å; I35-T37 VanDerWaalsContact C-N 3.28Å; I35-T37 PolarHBondContact O-N 3.37Å; T37-T40 PolarHBondContact O-N 3.17Å; T37-R41 PolarHBondContact O-N 3.14Å
38I95.8Very high90Very high0 Ų052.3 Ų52.30%028%0.282CS..Hα-helixtrans-63.8-47.3177.7-61.3162.1000110.7L34 I35 T40 R41 I42 I97 D100 L101 L104 L154L34-I38 HydrophobicContact CD1-CD1 4.39Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 4.06Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.35Å; I35-I38 PolarHBondContact O-N 3.15Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 3.02Å; I38-R41 WeakPolarHBondContact O-CB 3.26Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.11Å; I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.1Å; I38-I97 HydrophobicContact CG2-CG2 4.09Å; I38-D100 HydrophobicContact CD1-CB 3.77Å; I38-D100 HydrophobicContact CG1-CB 3.52Å; I38-L101 HydrophobicContact CD1-CD2 4.15Å; I38-L101 HydrophobicContact CG2-CD2 4.5Å; I38-L104 HydrophobicContact CD1-CB 4.45Å; I38-L104 HydrophobicContact CD1-CD2 4.07Å; I38-L154 HydrophobicContact CB-CD1 3.97Å; I38-L154 HydrophobicContact CG2-CD1 3.41Å; I38-L154 VanDerWaalsContact CG2-CD1 3.41Å
39V94.4Very high88.5Confident19 Ų1952.5 Ų52.512%0.11528%0.283CS..Hα-helixtrans-57.2-42.1177.4167.70000111.3I35 K36 I42 N43 Q151 L154 Q155I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.18Å; K36-V39 PolarHBondContact O-N 3.39Å; V39-I42 PolarHBondContact O-N 3.15Å; V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-ND2 3.23Å; V39-Q151 HydrophobicContact CG1-CG 4.26Å; V39-L154 HydrophobicContact CG2-CB 3.8Å; V39-L154 HydrophobicContact CG2-CD1 4.15Å; V39-Q155 HydrophobicContact CG2-CG 4.5Å
40T94.3Very high86.4Confident77 Ų7755.6 Ų55.647%0.47231%0.305SS..Hα-helixtrans-64.1-44.3176.8-55.20000110.9K36 T37 I38 I42 N43 D44K36-T40 WeakPolarHBondContact O-CB 3.4Å; K36-T40 PolarHBondContact O-N 3.28Å; K36-T40 PolarHBondContact O-OG1 3.03Å; T37-T40 PolarHBondContact O-N 3.17Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 3.02Å; T40-I42 VanDerWaalsContact C-N 3.32Å; T40-I42 PolarHBondContact O-N 3.37Å; T40-N43 WeakPolarHBondContact O-CB 3.44Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 VanDerWaalsContact O-N 3.16Å; T40-D44 PolarHBondContact O-N 3.26Å
41R92.4Very high84.3Confident61 Ų6156 Ų5623%0.2331%0.308CS..Hα-helixtrans-61.7-38.9176.3-169176.7-59.8157.812.4112.5T37 I38 D44 I45 Q96 I97 D100T37-R41 PolarHBondContact O-N 3.14Å; I38-R41 WeakPolarHBondContact O-CB 3.26Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.11Å; R41-D44 PolarHBondContact O-N 3.41Å; R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 2.93Å; R41-Q96 PolarHBondContact NH1-O 2.81Å; R41-Q96 VanDerWaalsContact NH1-O 3.14Å; R41-I97 HydrophobicContact CG-CD1 4.49Å; R41-I97 HydrophobicContact CG-CG1 4.22Å; R41-D100 IonicContact CZ-OD1 3.02Å; R41-D100 IonicContact CZ-OD2 2.95Å; R41-D100 IonicContact NE-OD2 3.95Å; R41-D100 IonicContact NH1-OD1 3.37Å; R41-D100 PolarHBondContact NH1-OD1 2.76Å; R41-D100 IonicContact NH1-OD2 2.69Å; R41-D100 PolarHBondContact NH1-OD2 3.03Å; R41-D100 IonicContact NH2-OD1 3.92Å; R41-D100 IonicContact NH2-OD2 3.28Å; R41-D100 PolarHBondContact NH2-OD2 3.43Å
42I90.9Very high81.9Confident0 Ų060.2 Ų60.20%034%0.338CS..Hα-helixtrans-62.8-46.2174.4-66.9167.6000110.3I38 V39 T40 D44 I45 S46 I97 L147 L150 Q151 L154I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.1Å; V39-I42 PolarHBondContact O-N 3.15Å; T40-I42 VanDerWaalsContact C-N 3.32Å; T40-I42 PolarHBondContact O-N 3.37Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 3.46Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 3.2Å; I42-I45 VanDerWaalsContact O-N 3.07Å; I42-S46 PolarHBondContact O-N 3.49Å; I42-S46 PolarHBondContact O-OG 3.44Å; I42-I97 HydrophobicContact CG1-CD1 3.75Å; I42-L147 HydrophobicContact CG1-CD2 4.37Å; I42-L147 HydrophobicContact CG2-CB 4.11Å; I42-L150 HydrophobicContact CD1-CB 4.49Å; I42-L150 HydrophobicContact CD1-CD2 3.96Å; I42-L150 HydrophobicContact CD1-CG 4Å; I42-Q151 HydrophobicContact CD1-CB 4.14Å; I42-Q151 HydrophobicContact CG2-CB 4.14Å; I42-L154 HydrophobicContact CD1-CD1 4.03Å
43N88.8Confident79.7Confident56 Ų5664.3 Ų64.330%0.29937%0.371SS..Hα-helixtrans-58.5-42.1176.4-77-34.6000112.3V39 T40 I45 S46 H47 Q151V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-ND2 3.23Å; T40-N43 WeakPolarHBondContact O-CB 3.44Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 VanDerWaalsContact O-N 3.16Å; N43-I45 PolarHBondContact O-N 3.31Å; N43-S46 PolarHBondContact O-N 3.28Å; N43-S46 VanDerWaalsContact O-N 3.17Å; N43-H47 PolarHBondContact O-CD2 3.35Å; N43-H47 PolarHBondContact O-N 2.92Å; N43-Q151 VanDerWaalsContact CG-NE2 3.29Å; N43-Q151 PolarHBondContact ND2-NE2 2.92Å; N43-Q151 PolarHBondContact OD1-NE2 3.28Å
44D87.5Confident77.3Confident97 Ų9769.6 Ų69.652%0.51939%0.388SS..Hα-helixtrans-62.9-31.5177.4-69.1-19.9000112.3T40 R41 I42 T48T40-D44 PolarHBondContact O-N 3.26Å; R41-D44 PolarHBondContact O-N 3.41Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 3.46Å; D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.25Å; D44-T48 PolarHBondContact O-OG1 3.11Å
45I83.7Confident74.8Confident2 Ų275.3 Ų75.31%0.0141%0.414CS..Hα-helixtrans-67-52.5171.6-63.1165.8000109.8R41 I42 N43 H47 T48 Q49 K93 I97 L147R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 2.93Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 3.2Å; I42-I45 VanDerWaalsContact O-N 3.07Å; N43-I45 PolarHBondContact O-N 3.31Å; I45-H47 VanDerWaalsContact C-N 3.32Å; I45-H47 PolarHBondContact O-N 2.74Å; I45-T48 PolarHBondContact O-N 3.18Å; I45-T48 VanDerWaalsContact O-N 3.1Å; I45-T48 PolarHBondContact O-OG1 2.88Å; I45-Q49 PolarHBondContact O-N 3.24Å; I45-K93 HydrophobicContact CD1-CB 3.75Å; I45-K93 HydrophobicContact CD1-CD 4.34Å; I45-K93 HydrophobicContact CG1-CB 3.96Å; I45-K93 HydrophobicContact CG1-CD 3.58Å; I45-K93 HydrophobicContact CG1-CG 4.43Å; I45-I97 HydrophobicContact CD1-CD1 3.4Å; I45-L147 HydrophobicContact CD1-CD1 4.01Å; I45-L147 HydrophobicContact CG2-CD1 4.05Å
46S72.2Confident72.6Confident56 Ų5686.6 Ų86.639%0.39246%0.457SS..Hα-helixtrans-62.6-33.3-178.8-56.30000113.3I42 N43 Q49I42-S46 PolarHBondContact O-N 3.49Å; I42-S46 PolarHBondContact O-OG 3.44Å; N43-S46 PolarHBondContact O-N 3.28Å; N43-S46 VanDerWaalsContact O-N 3.17Å; S46-Q49 CarbonylContact O-C 3.58Å; S46-Q49 PolarHBondContact O-N 3.07Å
47H66.5Low70.6Confident156 Ų15682.9 Ų82.972%0.72244%0.444SS*.Hα-helixtrans-71.2-31.5174.9-76.1-57.4000112.7N43 I45 Q49N43-H47 PolarHBondContact O-CD2 3.35Å; N43-H47 PolarHBondContact O-N 2.92Å; I45-H47 VanDerWaalsContact C-N 3.32Å; I45-H47 PolarHBondContact O-N 2.74Å; H47-Q49 VanDerWaalsContact C-N 3.34Å
48T62.8Low68.8Low94 Ų9486 Ų8658%0.57746%0.463SS*.Hα-helixtrans-78.4-19.5173.757.10000113.6D44 I45 K93D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.25Å; D44-T48 PolarHBondContact O-OG1 3.11Å; I45-T48 PolarHBondContact O-N 3.18Å; I45-T48 VanDerWaalsContact O-N 3.1Å; I45-T48 PolarHBondContact O-OG1 2.88Å; T48-K93 PolarHBondContact OG1-NZ 3.46Å
49Q62.5Low67.2Low43 Ų4387.8 Ų87.820%0.20148%0.482CS..SBendtrans-115.193.3-178.8-69.6177.1-9.700108.1I45 S46 H47 V51I45-Q49 PolarHBondContact O-N 3.24Å; S46-Q49 CarbonylContact O-C 3.58Å; S46-Q49 PolarHBondContact O-N 3.07Å; H47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 HydrophobicContact CB-CG2 4.31Å; Q49-V51 PolarHBondContact O-N 3.34Å
50S48.8Very low66Low124 Ų12487 Ų8787%0.86748%0.477SS*.  trans-62.585.4179.9600000111.3
51V51.4Low64.7Low60 Ų6090.1 Ų90.136%0.36449%0.49SS..  trans-123.7124.2-178.9-171.80000109.6Q49 S53 Y140 V144Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 HydrophobicContact CB-CG2 4.31Å; Q49-V51 PolarHBondContact O-N 3.34Å; V51-S53 PolarHBondContact O-N 2.84Å; V51-Y140 HydrophobicContact CG2-CE1 3.84Å; V51-Y140 WeakPolarHBondContact CG2-OH 3.45Å; V51-V144 HydrophobicContact CB-CG1 4.37Å; V51-V144 HydrophobicContact CG1-CG1 4.03Å; V51-V144 HydrophobicContact CG1-CG2 4.48Å; V51-V144 HydrophobicContact CG2-CG2 4.25Å
52S44.5Very low63.5Low89 Ų8989 Ų8962%0.62249%0.487SS*.  trans-66.8120.9178.3179.80000110.3K54S52-K54 PolarHBondContact O-N 3.28Å
53S50.4Low62.3Low124 Ų12489 Ų8987%0.86749%0.488SS*.THydrogen-bonded Turntrans-66.75.7-178.355.40000115.4V51V51-S53 PolarHBondContact O-N 2.84Å
54K46.9Very low61.4Low187 Ų18787.1 Ų87.181%0.81348%0.478SS*.THydrogen-bonded Turntrans-101.64.9-172.7-87.8-175.5176179.40115.6S52 R56S52-K54 PolarHBondContact O-N 3.28Å; K54-R56 PolarHBondContact O-N 3.15Å
55Q47.1Very low60.4Low149 Ų14984.1 Ų84.170%0.69647%0.47SS*.  trans-82.2105.7-177.5-156.7152.6-1300110.9V57Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 HydrophobicContact CG-CG2 4.11Å; Q55-V57 PolarHBondContact O-N 3.09Å
56R49.3Very low59.6Low241 Ų24189.3 Ų89.391%0.90950%0.497SS*.  trans-75.190.9172-168.6177.4-175.9173.11.2108.2K54K54-R56 PolarHBondContact O-N 3.15Å
57V55.3Low59.3Low44 Ų4490.6 Ų90.627%0.26750%0.497SS..  trans-83.9115.7178.1-174.10000108.8Q55 L60 S141 V145Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 HydrophobicContact CG-CG2 4.11Å; Q55-V57 PolarHBondContact O-N 3.09Å; V57-L60 HydrophobicContact CB-CD1 3.96Å; V57-L60 HydrophobicContact CG1-CD1 3.71Å; V57-L60 HydrophobicContact CG1-CG 4.01Å; V57-S141 WeakPolarHBondContact CG2-OG 3.29Å; V57-V145 HydrophobicContact CG2-CG2 4.22Å
58T59.1Low58.8Low127 Ų12788.7 Ų88.778%0.77950%0.499SS*.THydrogen-bonded Turntrans-77.8144.1172.241.90000110.4
59G63.2Low58.9Low38 Ų3889.1 Ų89.139%0.39250%0.501SS..THydrogen-bonded Turntrans96.71.9179.400000115.5
60L67.4Low59.7Low3 Ų387.4 Ų87.42%0.01649%0.493CS..  trans-104.429.6174.7-61.8-179.9000112.3V57 F62 I63 V134 T142 V145 R149V57-L60 HydrophobicContact CB-CD1 3.96Å; V57-L60 HydrophobicContact CG1-CD1 3.71Å; V57-L60 HydrophobicContact CG1-CG 4.01Å; L60-F62 HydrophobicContact CB-CE1 4.49Å; L60-F62 HydrophobicContact CD2-CE1 3.64Å; L60-F62 HydrophobicContact CD2-CZ 3.61Å; L60-F62 PolarHBondContact O-N 3.02Å; L60-I63 HydrophobicContact CB-CD1 4.02Å; L60-I63 HydrophobicContact CB-CG1 4.41Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 HydrophobicContact CD2-CD1 4.22Å; L60-I63 HydrophobicContact CG-CD1 4.41Å; L60-I63 PolarHBondContact O-N 2.72Å; L60-V134 HydrophobicContact CD2-CG1 3.78Å; L60-T142 HydrophobicContact CD2-CG2 4.17Å; L60-V145 HydrophobicContact CD1-CB 3.62Å; L60-V145 HydrophobicContact CD1-CG1 3.65Å; L60-V145 HydrophobicContact CD1-CG2 3.77Å; L60-R149 PolarHBondContact O-NH1 3.45Å
61D67.6Low61.7Low141 Ų14183 Ų8375%0.75446%0.461SS*.THydrogen-bonded Turntrans-69.3-16.9-176.9-59.6-46.9000112.6I63D61-I63 VanDerWaalsContact C-N 3.3Å; D61-I63 PolarHBondContact O-N 2.79Å
62F67.6Low63.7Low37 Ų3780.2 Ų80.216%0.16244%0.444CS..THydrogen-bonded Turntrans-71.5-20.1173.865.1-95.7000113.6L60 P64 I85 L125 L131 V134 T142L60-F62 HydrophobicContact CB-CE1 4.49Å; L60-F62 HydrophobicContact CD2-CE1 3.64Å; L60-F62 HydrophobicContact CD2-CZ 3.61Å; L60-F62 PolarHBondContact O-N 3.02Å; F62-P64 WeakPolarHBondContact O-CD 3.36Å; F62-I85 HydrophobicContact CD2-CD1 4.35Å; F62-I85 HydrophobicContact CE2-CD1 4.38Å; F62-I85 HydrophobicContact CE2-CG1 4.42Å; F62-L125 HydrophobicContact CB-CD2 4.42Å; F62-L131 HydrophobicContact CD2-CD2 3.51Å; F62-L131 HydrophobicContact CD2-CG 4.28Å; F62-L131 HydrophobicContact CE2-CD2 3.19Å; F62-L131 HydrophobicContact CE2-CG 4.33Å; F62-L131 HydrophobicContact CG-CD2 4.36Å; F62-L131 HydrophobicContact CZ-CD2 3.8Å; F62-V134 HydrophobicContact CE1-CB 4.17Å; F62-V134 HydrophobicContact CE1-CG1 3.88Å; F62-V134 HydrophobicContact CE1-CG2 4.47Å; F62-V134 HydrophobicContact CZ-CG1 4.39Å; F62-T142 HydrophobicContact CZ-CG2 4.37Å
63I64.8Low66Low2 Ų277.3 Ų77.31%0.0142%0.424CS..SBendtrans-77.6119.7179.4-53.6177.7000108L60 D61 G65 Y82 I85 V145 A146 R149L60-I63 HydrophobicContact CB-CD1 4.02Å; L60-I63 HydrophobicContact CB-CG1 4.41Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 HydrophobicContact CD2-CD1 4.22Å; L60-I63 HydrophobicContact CG-CD1 4.41Å; L60-I63 PolarHBondContact O-N 2.72Å; D61-I63 VanDerWaalsContact C-N 3.3Å; D61-I63 PolarHBondContact O-N 2.79Å; I63-G65 PolarHBondContact O-N 3.34Å; I63-Y82 HydrophobicContact CG2-CE1 3.72Å; I63-I85 HydrophobicContact CB-CD1 4.46Å; I63-I85 HydrophobicContact CG1-CD1 4.2Å; I63-I85 HydrophobicContact CG2-CD1 4.27Å; I63-V145 HydrophobicContact CD1-CB 4.47Å; I63-V145 HydrophobicContact CD1-CG1 4.05Å; I63-A146 HydrophobicContact CD1-CB 4.12Å; I63-R149 HydrophobicContact CG2-CB 4Å; I63-R149 HydrophobicContact CG2-CG 4.33Å; I63-R149 PolarHBondContact O-NH1 3.44Å
64P70.5Confident67.9Low16 Ų1675.5 Ų75.510%0.10440%0.402CS..  trans-50.6134-176.9-27.934.9000112.6F62 T78 I81 Y82F62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-T78 HydrophobicContact CB-CG2 4.3Å; P64-I81 HydrophobicContact CG-CB 3.97Å; P64-I81 HydrophobicContact CG-CD1 4.06Å; P64-I81 HydrophobicContact CG-CG2 3.5Å; P64-I81 VanDerWaalsContact CG-CG2 3.5Å; P64-Y82 HydrophobicContact CB-CE2 4.26Å; P64-Y82 HydrophobicContact CG-CE2 4.42Å; P64-Y82 PolarHBondContact O-OH 3.48Å
65G66.4Low70.1Confident34 Ų3466.6 Ų66.635%0.35136%0.363SS..  trans-80.3-175.517400000113I63 H67I63-G65 PolarHBondContact O-N 3.34Å; G65-H67 PolarHBondContact O-CE1 2.88Å; G65-H67 PolarHBondContact O-ND1 3.11Å
66L67.3Low72.4Confident111 Ų11159.6 Ų59.658%0.58133%0.33SS*.  trans-71.1135.7168.8-60.3175.3000109.7D156L66-D156 WeakPolarHBondContact CD2-OD2 3.41Å
67H65.6Low74.3Confident82 Ų8250.8 Ų50.838%0.3830%0.299SS..  trans-120.1118-178.5-70.368.3000108.8G65 V69 L70G65-H67 PolarHBondContact O-CE1 2.88Å; G65-H67 PolarHBondContact O-ND1 3.11Å; H67-V69 PolarHBondContact O-N 3.29Å; H67-L70 HydrophobicContact CB-CD2 3.81Å; H67-L70 HydrophobicContact CB-CG 4.22Å
68P56.9Low76Confident117 Ų11749.2 Ų49.276%0.7629%0.29SS*.SBendtrans-71.2-17.1-170.226-33.3000114.1Q160P68-Q160 PolarHBondContact O-NE2 3.29Å
69V63.3Low77.7Confident102 Ų10243.1 Ų43.162%0.61825%0.253SS*.SBendtrans-133.3123.6175.6-177.50000107.8H67 Q74H67-V69 PolarHBondContact O-N 3.29Å; V69-Q74 PolarHBondContact O-OE1 3.43Å
70L80.4Confident79Confident7 Ų741.6 Ų41.64%0.03724%0.236CC..  trans-128.3113.3-176.9-70.6163.2000109.6H67 Q74 M75 D156 M157 Q160 P165H67-L70 HydrophobicContact CB-CD2 3.81Å; H67-L70 HydrophobicContact CB-CG 4.22Å; L70-Q74 HydrophobicContact CD2-CB 4.15Å; L70-M75 HydrophobicContact CB-CE 3.67Å; L70-M75 HydrophobicContact CB-CG 3.92Å; L70-D156 HydrophobicContact CD1-CB 3.89Å; L70-M157 HydrophobicContact CD1-CG 4.03Å; L70-Q160 HydrophobicContact CB-CG 4.16Å; L70-Q160 HydrophobicContact CD1-CG 4.36Å; L70-P165 WeakPolarHBondContact O-CB 3.38Å
71T91.7Very high80Confident33 Ų3342.5 Ų42.520%0.20224%0.24CC..  trans-78.1162.7161.580.10000110.5S73 Q74 M75 G166 C167T71-S73 PolarHBondContact O-N 3.07Å; T71-S73 PolarHBondContact OG1-N 3.42Å; T71-Q74 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact OG1-N 3.35Å; T71-M75 VanDerWaalsContact O-CG 3.31Å; T71-M75 WeakPolarHBondContact O-CG 3.25Å; T71-M75 PolarHBondContact O-N 3.48Å; T71-G166 CarbonylContact C-O 3.58Å; T71-G166 WeakPolarHBondContact CA-O 3.43Å; T71-G166 WeakPolarHBondContact CB-O 3.36Å; T71-C167 WeakPolarHBondContact CB-O 3.24Å; T71-C167 PolarHBondContact OG1-O 3.49Å
72L93Very high81Confident0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-56.2-34176.3-65.8179.8000112.4M75 D76 L108 L111 A112 K115 L119 L161 P165 G166L72-M75 HydrophobicContact CD2-SD 4.11Å; L72-M75 PolarHBondContact O-N 3.36Å; L72-D76 PolarHBondContact O-N 3.37Å; L72-L108 HydrophobicContact CD2-CD2 3.88Å; L72-L111 HydrophobicContact CD1-CD2 4.27Å; L72-L111 HydrophobicContact CD1-CG 4.23Å; L72-L111 HydrophobicContact CD2-CD2 3.81Å; L72-A112 HydrophobicContact CD1-CB 4.08Å; L72-K115 HydrophobicContact CD1-CD 4.09Å; L72-L119 HydrophobicContact CB-CD2 3.84Å; L72-L161 HydrophobicContact CD2-CD2 4.27Å; L72-P165 HydrophobicContact CD2-CG 3.89Å; L72-P165 HydrophobicContact CG-CG 4.31Å; L72-G166 PolarHBondContact N-O 3.38Å
73S91.9Very high82.1Confident28 Ų2835 Ų3520%0.19620%0.201CC..Hα-helixtrans-67.3-41.9175175.10000112.3T71 M75 D76 Q77 P120T71-S73 PolarHBondContact O-N 3.07Å; T71-S73 PolarHBondContact OG1-N 3.42Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.7Å; S73-D76 PolarHBondContact O-N 2.96Å; S73-Q77 WeakPolarHBondContact O-CB 3.4Å; S73-Q77 PolarHBondContact O-N 3.26Å; S73-P120 WeakPolarHBondContact OG-CD 3.34Å; S73-P120 WeakPolarHBondContact OG-CG 3.39Å
74Q91.4Very high83.1Confident87 Ų8737.2 Ų37.241%0.40721%0.212SC..Hα-helixtrans-67.8-34.4177.1-67.1173-37.700111.6V69 L70 T71 T78V69-Q74 PolarHBondContact O-OE1 3.43Å; L70-Q74 HydrophobicContact CD2-CB 4.15Å; T71-Q74 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact OG1-N 3.35Å; Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.06Å
75M93.3Very high83.8Confident0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-62.1-50.7172.4-62.6-177.7-175.700110.8L70 T71 L72 S73 Q77 T78 L79 L108 M157 Q160 P165L70-M75 HydrophobicContact CB-CE 3.67Å; L70-M75 HydrophobicContact CB-CG 3.92Å; T71-M75 VanDerWaalsContact O-CG 3.31Å; T71-M75 WeakPolarHBondContact O-CG 3.25Å; T71-M75 PolarHBondContact O-N 3.48Å; L72-M75 HydrophobicContact CD2-SD 4.11Å; L72-M75 PolarHBondContact O-N 3.36Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.7Å; M75-Q77 PolarHBondContact O-N 3.37Å; M75-T78 PolarHBondContact O-N 3.02Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.35Å; M75-L108 HydrophobicContact CB-CD1 3.69Å; M75-L108 HydrophobicContact SD-CD2 4.14Å; M75-M157 HydrophobicContact CB-CE 4.22Å; M75-M157 HydrophobicContact CB-CG 4.35Å; M75-M157 HydrophobicContact CB-SD 4.36Å; M75-M157 HydrophobicContact CE-CG 4.48Å; M75-M157 HydrophobicContact CG-CG 3.86Å; M75-M157 HydrophobicContact SD-CB 4.28Å; M75-M157 HydrophobicContact SD-CG 4.07Å; M75-Q160 HydrophobicContact CE-CB 3.45Å; M75-Q160 VanDerWaalsContact CE-CB 3.45Å; M75-Q160 HydrophobicContact CE-CG 4.36Å; M75-P165 HydrophobicContact CE-CB 4.2Å; M75-P165 HydrophobicContact CE-CG 3.87Å
76D93.7Very high84.8Confident1 Ų135 Ų351%0.00519%0.191CC..Hα-helixtrans-58.6-46.5179-173.261.1000112L72 S73 T78 L79 A80 R105 H109 L119 A122L72-D76 PolarHBondContact O-N 3.37Å; S73-D76 PolarHBondContact O-N 2.96Å; D76-T78 VanDerWaalsContact C-N 3.34Å; D76-T78 PolarHBondContact O-N 3.07Å; D76-L79 PolarHBondContact O-N 3.19Å; D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.91Å; D76-R105 WeakPolarHBondContact OD1-CB 3.24Å; D76-R105 WeakPolarHBondContact OD1-CG 3.36Å; D76-R105 IonicContact OD1-CZ 3.52Å; D76-R105 IonicContact OD1-NE 2.75Å; D76-R105 PolarHBondContact OD1-NE 3.36Å; D76-R105 IonicContact OD1-NH2 3.73Å; D76-R105 PolarHBondContact OD1-NH2 3.39Å; D76-R105 IonicContact OD2-CZ 3.83Å; D76-R105 IonicContact OD2-NE 3.75Å; D76-R105 IonicContact OD2-NH2 2.88Å; D76-R105 PolarHBondContact OD2-NH2 3.32Å; D76-H109 IonicContact OD1-CD2 2.7Å; D76-H109 IonicContact OD1-NE2 3.67Å; D76-H109 IonicContact OD2-NE2 3.73Å; D76-L119 HydrophobicContact CB-CD1 4.25Å; D76-A122 WeakPolarHBondContact OD2-CB 3.38Å
77Q90.8Very high85.7Confident56 Ų5635.4 Ų35.426%0.26219%0.193SC..Hα-helixtrans-59.7-44.1177.1-179.261.126.600112.2S73 M75 A80 I81 S123S73-Q77 WeakPolarHBondContact O-CB 3.4Å; S73-Q77 PolarHBondContact O-N 3.26Å; M75-Q77 PolarHBondContact O-N 3.37Å; Q77-A80 PolarHBondContact O-N 2.86Å; Q77-I81 HydrophobicContact CG-CD1 4.4Å; Q77-I81 WeakPolarHBondContact O-CG1 3.4Å; Q77-I81 PolarHBondContact O-N 3.16Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; Q77-S123 PolarHBondContact NE2-O 3.37Å; Q77-S123 PolarHBondContact OE1-O 3.23Å
78T90.8Very high86.4Confident11 Ų1134.7 Ų34.77%0.06719%0.192CC..Hα-helixtrans-62.3-44.9178-60.40000110.9P64 Q74 M75 D76 I81 Y82 M157P64-T78 HydrophobicContact CB-CG2 4.3Å; Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.06Å; M75-T78 PolarHBondContact O-N 3.02Å; D76-T78 VanDerWaalsContact C-N 3.34Å; D76-T78 PolarHBondContact O-N 3.07Å; T78-I81 PolarHBondContact O-N 3.17Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.63Å; T78-Y82 WeakPolarHBondContact O-CD2 3.31Å; T78-Y82 PolarHBondContact O-N 3.36Å; T78-Y82 VanDerWaalsContact O-N 3.11Å; T78-M157 HydrophobicContact CG2-CE 3.84Å
79L93.1Very high87.6Confident0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-64.2-39.4177.9-65.7173.9000111.9M75 D76 I81 Y82 Q83 L101 L104 R105 L108 L154 M157M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.35Å; D76-L79 PolarHBondContact O-N 3.19Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.77Å; L79-Y82 PolarHBondContact O-N 2.92Å; L79-Q83 WeakPolarHBondContact O-CG 3.25Å; L79-Q83 PolarHBondContact O-N 3.45Å; L79-L101 HydrophobicContact CD2-CD2 3.8Å; L79-L104 HydrophobicContact CD1-CB 4.32Å; L79-L104 HydrophobicContact CD1-CD2 3.74Å; L79-L104 HydrophobicContact CD1-CG 3.76Å; L79-L104 HydrophobicContact CD2-CD2 3.9Å; L79-R105 HydrophobicContact CB-CG 3.66Å; L79-R105 HydrophobicContact CD1-CG 3.77Å; L79-R105 HydrophobicContact CG-CG 4.39Å; L79-L108 HydrophobicContact CD1-CD1 3.54Å; L79-L154 HydrophobicContact CD2-CD2 4.23Å; L79-M157 HydrophobicContact CD1-SD 4.45Å; L79-M157 HydrophobicContact CD2-CE 3.94Å; L79-M157 HydrophobicContact CD2-SD 4.03Å; L79-M157 HydrophobicContact CG-CE 3.92Å; L79-M157 HydrophobicContact CG-SD 4.24Å
80A91.1Very high87.9Confident5 Ų529.4 Ų29.44%0.04116%0.159CC..Hα-helixtrans-60.9-41.8176.300000112.3D76 Q77 Q83 Q84 A122D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.91Å; Q77-A80 PolarHBondContact O-N 2.86Å; A80-Q83 PolarHBondContact O-N 3.49Å; A80-Q84 PolarHBondContact O-N 2.9Å; A80-A122 HydrophobicContact CB-CB 3.64Å
81I88.1Confident87.8Confident22 Ų2230.2 Ų30.211%0.11317%0.165CC..Hα-helixtrans-63.7-45.2175.5-65164.1000110.5P64 Q77 T78 L79 Q83 Q84 I85 L125P64-I81 HydrophobicContact CG-CB 3.97Å; P64-I81 HydrophobicContact CG-CD1 4.06Å; P64-I81 HydrophobicContact CG-CG2 3.5Å; P64-I81 VanDerWaalsContact CG-CG2 3.5Å; Q77-I81 HydrophobicContact CG-CD1 4.4Å; Q77-I81 WeakPolarHBondContact O-CG1 3.4Å; Q77-I81 PolarHBondContact O-N 3.16Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; T78-I81 PolarHBondContact O-N 3.17Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.77Å; I81-Q83 PolarHBondContact O-N 3.38Å; I81-Q84 PolarHBondContact O-N 3.36Å; I81-I85 HydrophobicContact CG2-CD1 3.94Å; I81-I85 WeakPolarHBondContact O-CG1 3.49Å; I81-I85 PolarHBondContact O-N 3.02Å; I81-I85 VanDerWaalsContact O-N 3.07Å; I81-L125 HydrophobicContact CD1-CD1 4.46Å; I81-L125 HydrophobicContact CG1-CD1 4.36Å; I81-L125 HydrophobicContact CG2-CD1 4.01Å
82Y89.7Confident87.2Confident0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-62.1-41.4176.5-80-66000112.4I63 P64 T78 L79 Q84 I85 L86 R149 L150 S153I63-Y82 HydrophobicContact CG2-CE1 3.72Å; P64-Y82 HydrophobicContact CB-CE2 4.26Å; P64-Y82 HydrophobicContact CG-CE2 4.42Å; P64-Y82 PolarHBondContact O-OH 3.48Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.63Å; T78-Y82 WeakPolarHBondContact O-CD2 3.31Å; T78-Y82 PolarHBondContact O-N 3.36Å; T78-Y82 VanDerWaalsContact O-N 3.11Å; L79-Y82 PolarHBondContact O-N 2.92Å; Y82-Q84 VanDerWaalsContact C-N 3.28Å; Y82-Q84 PolarHBondContact O-N 3.03Å; Y82-I85 HydrophobicContact CD1-CD1 4.4Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; Y82-L86 WeakPolarHBondContact O-CB 3.33Å; Y82-L86 VanDerWaalsContact O-CG 3.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.44Å; Y82-L86 PolarHBondContact O-N 3.24Å; Y82-R149 HydrophobicContact CE1-CB 4.44Å; Y82-R149 WeakPolarHBondContact OH-CB 3.42Å; Y82-R149 PolarHBondContact OH-O 3.2Å; Y82-L150 HydrophobicContact CD1-CB 3.85Å; Y82-L150 HydrophobicContact CD1-CD1 4.23Å; Y82-L150 HydrophobicContact CD1-CG 4.47Å; Y82-L150 HydrophobicContact CD2-CB 4.49Å; Y82-L150 HydrophobicContact CD2-CD1 3.64Å; Y82-L150 HydrophobicContact CE1-CB 3.7Å; Y82-L150 HydrophobicContact CE2-CB 4.36Å; Y82-L150 HydrophobicContact CE2-CD1 4.05Å; Y82-L150 HydrophobicContact CG-CB 4.26Å; Y82-L150 HydrophobicContact CG-CD1 3.75Å; Y82-L150 HydrophobicContact CG-CG 4.45Å; Y82-L150 PolarHBondContact OH-N 3.07Å; Y82-S153 PolarHBondContact OH-OG 3.39Å
83Q89.7Confident86.7Confident20 Ų2042.2 Ų42.29%0.09321%0.209CC..Hα-helixtrans-55.4-44.2174.9-75179.4-49.300112L79 A80 I81 L86 I87 L101 E102L79-Q83 WeakPolarHBondContact O-CG 3.25Å; L79-Q83 PolarHBondContact O-N 3.45Å; A80-Q83 PolarHBondContact O-N 3.49Å; I81-Q83 PolarHBondContact O-N 3.38Å; Q83-L86 PolarHBondContact O-N 3.22Å; Q83-I87 WeakPolarHBondContact O-CB 3.33Å; Q83-I87 VanDerWaalsContact O-CG1 3.27Å; Q83-I87 WeakPolarHBondContact O-CG1 3.31Å; Q83-I87 PolarHBondContact O-N 2.97Å; Q83-L101 HydrophobicContact CG-CB 3.77Å; Q83-L101 HydrophobicContact CG-CD1 4.11Å; Q83-E102 VanDerWaalsContact NE2-CB 3.32Å; Q83-E102 VanDerWaalsContact NE2-N 3.13Å
84Q86.6Confident86.4Confident49 Ų4940.9 Ų40.923%0.22920%0.2CC..Hα-helixtrans-64-41.7176.7-71.1-176.9-35.100112.9A80 I81 Y82 N88 G124A80-Q84 PolarHBondContact O-N 2.9Å; I81-Q84 PolarHBondContact O-N 3.36Å; Y82-Q84 VanDerWaalsContact C-N 3.28Å; Y82-Q84 PolarHBondContact O-N 3.03Å; Q84-N88 PolarHBondContact O-ND2 3.09Å; Q84-G124 VanDerWaalsContact CD-CA 3.45Å; Q84-G124 VanDerWaalsContact NE2-CA 3.34Å; Q84-G124 VanDerWaalsContact OE1-C 3.26Å
85I85.1Confident86.3Confident1 Ų141.4 Ų41.41%0.00520%0.204CC..Hα-helixtrans-62-47.4175.9-64.6164000109.8F62 I63 I81 Y82 N88 L89 L131 A146F62-I85 HydrophobicContact CD2-CD1 4.35Å; F62-I85 HydrophobicContact CE2-CD1 4.38Å; F62-I85 HydrophobicContact CE2-CG1 4.42Å; I63-I85 HydrophobicContact CB-CD1 4.46Å; I63-I85 HydrophobicContact CG1-CD1 4.2Å; I63-I85 HydrophobicContact CG2-CD1 4.27Å; I81-I85 HydrophobicContact CG2-CD1 3.94Å; I81-I85 WeakPolarHBondContact O-CG1 3.49Å; I81-I85 PolarHBondContact O-N 3.02Å; I81-I85 VanDerWaalsContact O-N 3.07Å; Y82-I85 HydrophobicContact CD1-CD1 4.4Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; I85-N88 PolarHBondContact O-N 2.98Å; I85-L89 HydrophobicContact CG2-CD1 4.29Å; I85-L131 HydrophobicContact CG1-CD2 4.15Å; I85-A146 HydrophobicContact CG2-CB 3.87Å
86L87.8Confident86.2Confident2 Ų245.4 Ų45.41%0.0122%0.223CC..Hα-helixtrans-68.6-35-175.6-66.7-168.1000113.4Y82 Q83 N88 L89 V94 I97 L101 L147 L150Y82-L86 WeakPolarHBondContact O-CB 3.33Å; Y82-L86 VanDerWaalsContact O-CG 3.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.44Å; Y82-L86 PolarHBondContact O-N 3.24Å; Q83-L86 PolarHBondContact O-N 3.22Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-L89 HydrophobicContact CD2-CD1 3.98Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-L89 VanDerWaalsContact O-N 3.09Å; L86-V94 HydrophobicContact CB-CG1 3.61Å; L86-V94 HydrophobicContact CD1-CG1 4.31Å; L86-V94 HydrophobicContact CD2-CG1 3.76Å; L86-V94 HydrophobicContact CG-CG1 4.05Å; L86-V94 WeakPolarHBondContact O-CG1 3.2Å; L86-I97 HydrophobicContact CD1-CB 4.18Å; L86-I97 HydrophobicContact CD1-CG2 3.56Å; L86-L101 HydrophobicContact CD1-CD1 3.79Å; L86-L147 HydrophobicContact CD2-CD2 4.07Å; L86-L150 HydrophobicContact CD1-CD2 4.09Å
87I84.7Confident86.1Confident121 Ų12145.4 Ų45.462%0.62122%0.223SC*.Hα-helixtrans-59.6-31.7175.7-77.9166.3000111.7Q83 L89Q83-I87 WeakPolarHBondContact O-CB 3.33Å; Q83-I87 VanDerWaalsContact O-CG1 3.27Å; Q83-I87 WeakPolarHBondContact O-CG1 3.31Å; Q83-I87 PolarHBondContact O-N 2.97Å; I87-L89 VanDerWaalsContact C-N 3.33Å
88N81.7Confident86.3Confident67 Ų6743.3 Ų43.336%0.35822%0.215SC..THydrogen-bonded Turntrans-87.20.8-180-66-64.7000113.5Q84 I85 L86 L135Q84-N88 PolarHBondContact O-ND2 3.09Å; I85-N88 PolarHBondContact O-N 2.98Å; L86-N88 PolarHBondContact O-N 3.43Å; N88-L135 HydrophobicContact CB-CD1 3.64Å
89L81.4Confident86.4Confident5 Ų546.7 Ų46.73%0.02623%0.232CC..SBendtrans-101.9120.5178.7-69.6171.8000111I85 L86 I87 S91 V94 L135 L139 T142 E143 A146I85-L89 HydrophobicContact CG2-CD1 4.29Å; L86-L89 HydrophobicContact CD2-CD1 3.98Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-L89 VanDerWaalsContact O-N 3.09Å; I87-L89 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.87Å; L89-V94 HydrophobicContact CB-CG1 4.11Å; L89-L135 HydrophobicContact CD2-CD2 3.42Å; L89-L135 VanDerWaalsContact CD2-CD2 3.42Å; L89-L135 HydrophobicContact CG-CD2 4.21Å; L89-L139 HydrophobicContact CD2-CD2 4.4Å; L89-T142 HydrophobicContact CD2-CG2 4.4Å; L89-E143 HydrophobicContact CD1-CB 4.1Å; L89-E143 HydrophobicContact CD1-CG 4.41Å; L89-E143 HydrophobicContact CD2-CB 4.23Å; L89-A146 HydrophobicContact CD1-CB 4.42Å
90P68.9Low86.5Confident102 Ų10247.6 Ų47.666%0.66224%0.237SC*.  trans-8279.1-174.332.4-34.7000112L139P90-L139 HydrophobicContact CG-CD1 4.05Å
91S78.3Confident86.7Confident24 Ų2447.3 Ų47.317%0.16824%0.235CC..  trans-145.6129.7175.1169.70000112.1L89 K93 V94 I95 E143L89-S91 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact O-N 2.98Å; S91-V94 WeakPolarHBondContact O-CB 3.32Å; S91-V94 PolarHBondContact O-N 3.35Å; S91-I95 PolarHBondContact O-N 3.01Å; S91-E143 PolarHBondContact OG-OE1 3.28Å
92R79.3Confident87.1Confident203 Ų20351.3 Ų51.377%0.76625%0.253SS*.Hα-helixtrans-57.4-35.1178.4-175.7179.5-180-170.80.8112.1Q96R92-Q96 PolarHBondContact O-N 3.12Å
93K83.4Confident87.4Confident82 Ų8255.2 Ų55.236%0.35727%0.274SS..Hα-helixtrans-71.7-35178.2-60.1-172-175.9-179.50111.1I45 T48 S91 Q96 I97I45-K93 HydrophobicContact CD1-CB 3.75Å; I45-K93 HydrophobicContact CD1-CD 4.34Å; I45-K93 HydrophobicContact CG1-CB 3.96Å; I45-K93 HydrophobicContact CG1-CD 3.58Å; I45-K93 HydrophobicContact CG1-CG 4.43Å; T48-K93 PolarHBondContact OG1-NZ 3.46Å; S91-K93 PolarHBondContact O-N 2.98Å; K93-Q96 PolarHBondContact O-N 3.37Å; K93-I97 WeakPolarHBondContact O-CG1 3.4Å; K93-I97 PolarHBondContact O-N 3.18Å
94V86.3Confident87.8Confident0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-67.9-39.7175.51730000112L86 L89 S91 Q96 I97 S98 E143 L147L86-V94 HydrophobicContact CB-CG1 3.61Å; L86-V94 HydrophobicContact CD1-CG1 4.31Å; L86-V94 HydrophobicContact CD2-CG1 3.76Å; L86-V94 HydrophobicContact CG-CG1 4.05Å; L86-V94 WeakPolarHBondContact O-CG1 3.2Å; L89-V94 HydrophobicContact CB-CG1 4.11Å; S91-V94 WeakPolarHBondContact O-CB 3.32Å; S91-V94 PolarHBondContact O-N 3.35Å; V94-Q96 VanDerWaalsContact C-N 3.28Å; V94-Q96 PolarHBondContact O-N 2.9Å; V94-I97 PolarHBondContact O-N 3.35Å; V94-I97 VanDerWaalsContact O-N 3.09Å; V94-S98 PolarHBondContact O-N 3.42Å; V94-E143 HydrophobicContact CG2-CG 3.96Å; V94-E143 WeakPolarHBondContact CG2-OE1 3.45Å; V94-L147 HydrophobicContact CG2-CD1 4.42Å
95I88.1Confident88.2Confident99 Ų9954.2 Ų54.251%0.50827%0.267SS..Hα-helixtrans-57-43.8174.4-65.5169.4000111S91 I97 S98 N99S91-I95 PolarHBondContact O-N 3.01Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.33Å; I95-S98 WeakPolarHBondContact O-CB 3.49Å; I95-S98 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-N 2.96Å; I95-N99 VanDerWaalsContact O-N 3.11Å
96Q90.9Very high88.7Confident84 Ų8458.4 Ų58.439%0.39329%0.29SS..Hα-helixtrans-63.7-39.6177.3-68.7179.6-13.600112.2R41 R92 K93 V94 N99 D100R41-Q96 PolarHBondContact NH1-O 2.81Å; R41-Q96 VanDerWaalsContact NH1-O 3.14Å; R92-Q96 PolarHBondContact O-N 3.12Å; K93-Q96 PolarHBondContact O-N 3.37Å; V94-Q96 VanDerWaalsContact C-N 3.28Å; V94-Q96 PolarHBondContact O-N 2.9Å; Q96-N99 PolarHBondContact O-N 2.88Å; Q96-D100 PolarHBondContact O-N 3.46Å; Q96-D100 VanDerWaalsContact O-N 3.13Å
97I93.4Very high89Confident0 Ų059.8 Ų59.80%030%0.297CS..Hα-helixtrans-64.8-43175.3-67.7170.7000110.1I38 R41 I42 I45 L86 K93 V94 I95 N99 D100 L101 L147 L150I38-I97 HydrophobicContact CG2-CG2 4.09Å; R41-I97 HydrophobicContact CG-CD1 4.49Å; R41-I97 HydrophobicContact CG-CG1 4.22Å; I42-I97 HydrophobicContact CG1-CD1 3.75Å; I45-I97 HydrophobicContact CD1-CD1 3.4Å; L86-I97 HydrophobicContact CD1-CB 4.18Å; L86-I97 HydrophobicContact CD1-CG2 3.56Å; K93-I97 WeakPolarHBondContact O-CG1 3.4Å; K93-I97 PolarHBondContact O-N 3.18Å; V94-I97 PolarHBondContact O-N 3.35Å; V94-I97 VanDerWaalsContact O-N 3.09Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.33Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.92Å; I97-D100 WeakPolarHBondContact O-CB 3.39Å; I97-D100 PolarHBondContact O-N 3.26Å; I97-D100 VanDerWaalsContact O-N 3.09Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.42Å; I97-L147 HydrophobicContact CD1-CD2 3.79Å; I97-L150 HydrophobicContact CG2-CD2 3.82Å
98S93.2Very high89.5Confident13 Ų1354.1 Ų54.19%0.09127%0.268CS..Hα-helixtrans-56.3-43.5177.4-171.50000112.5V94 I95 L101 E102V94-S98 PolarHBondContact O-N 3.42Å; I95-S98 WeakPolarHBondContact O-CB 3.49Å; I95-S98 PolarHBondContact O-N 3.01Å; S98-L101 PolarHBondContact O-N 3.3Å; S98-E102 PolarHBondContact O-N 3.01Å; S98-E102 VanDerWaalsContact O-N 3.13Å
99N93.7Very high90.1Very high81 Ų8154.4 Ų54.443%0.43327%0.267SS..Hα-helixtrans-65.8-39.7176.1-67.1-11.9000112.1I95 Q96 I97 L101 E102 N103I95-N99 PolarHBondContact O-N 2.96Å; I95-N99 VanDerWaalsContact O-N 3.11Å; Q96-N99 PolarHBondContact O-N 2.88Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.92Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.98Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.42Å; N99-N103 PolarHBondContact O-N 3.34Å; N99-N103 VanDerWaalsContact O-N 3.11Å; N99-N103 PolarHBondContact O-ND2 3.44Å
100D95.6Very high90.7Very high19 Ų1958.6 Ų58.610%0.10229%0.289CS..Hα-helixtrans-64.8-34.9174.9-73.215.4000111.8L34 I38 R41 Q96 I97 E102 N103 L104L34-D100 HydrophobicContact CD1-CB 4.28Å; I38-D100 HydrophobicContact CD1-CB 3.77Å; I38-D100 HydrophobicContact CG1-CB 3.52Å; R41-D100 IonicContact CZ-OD1 3.02Å; R41-D100 IonicContact CZ-OD2 2.95Å; R41-D100 IonicContact NE-OD2 3.95Å; R41-D100 IonicContact NH1-OD1 3.37Å; R41-D100 PolarHBondContact NH1-OD1 2.76Å; R41-D100 IonicContact NH1-OD2 2.69Å; R41-D100 PolarHBondContact NH1-OD2 3.03Å; R41-D100 IonicContact NH2-OD1 3.92Å; R41-D100 IonicContact NH2-OD2 3.28Å; R41-D100 PolarHBondContact NH2-OD2 3.43Å; Q96-D100 PolarHBondContact O-N 3.46Å; Q96-D100 VanDerWaalsContact O-N 3.13Å; I97-D100 WeakPolarHBondContact O-CB 3.39Å; I97-D100 PolarHBondContact O-N 3.26Å; I97-D100 VanDerWaalsContact O-N 3.09Å; D100-E102 VanDerWaalsContact C-N 3.31Å; D100-N103 PolarHBondContact O-N 3.03Å; D100-L104 WeakPolarHBondContact O-CB 3.46Å; D100-L104 PolarHBondContact O-N 2.88Å
101L95.7Very high91.8Very high0 Ų053.9 Ų53.90%026%0.258CS..Hα-helixtrans-65.2-35.8174.3-62.3-176.2000111.5I38 L79 Q83 L86 I97 S98 N99 L104 R105 L150I38-L101 HydrophobicContact CD1-CD2 4.15Å; I38-L101 HydrophobicContact CG2-CD2 4.5Å; L79-L101 HydrophobicContact CD2-CD2 3.8Å; Q83-L101 HydrophobicContact CG-CB 3.77Å; Q83-L101 HydrophobicContact CG-CD1 4.11Å; L86-L101 HydrophobicContact CD1-CD1 3.79Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.42Å; S98-L101 PolarHBondContact O-N 3.3Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.98Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.43Å; L101-R105 WeakPolarHBondContact O-CG 3.42Å; L101-R105 PolarHBondContact O-N 3.31Å; L101-L150 HydrophobicContact CD1-CD1 4.29Å; L101-L150 HydrophobicContact CD1-CD2 4.08Å; L101-L150 HydrophobicContact CD2-CD1 3.94Å; L101-L150 HydrophobicContact CD2-CD2 4.25Å
102E95.1Very high92.5Very high106 Ų10652.8 Ų52.850%0.49525%0.251SS..Hα-helixtrans-62.7-50.9174.7-168.4175.2-174.900110.9Q83 S98 N99 D100 L104 R105 D106Q83-E102 VanDerWaalsContact NE2-CB 3.32Å; Q83-E102 VanDerWaalsContact NE2-N 3.13Å; S98-E102 PolarHBondContact O-N 3.01Å; S98-E102 VanDerWaalsContact O-N 3.13Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.42Å; D100-E102 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.4Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; E102-D106 PolarHBondContact O-N 3.36Å
103N96.7Very high93.1Very high81 Ų8150.9 Ų50.943%0.43325%0.248SC..Hα-helixtrans-57.9-34.7175-67.4-46.2000112.1L34 N99 D100 L107L34-N103 HydrophobicContact CD2-CB 3.76Å; N99-N103 PolarHBondContact O-N 3.34Å; N99-N103 VanDerWaalsContact O-N 3.11Å; N99-N103 PolarHBondContact O-ND2 3.44Å; D100-N103 PolarHBondContact O-N 3.03Å; N103-L107 WeakPolarHBondContact O-CG 3.36Å; N103-L107 PolarHBondContact O-N 3.24Å; N103-L107 VanDerWaalsContact O-N 3.14Å
104L97.2Very high93.4Very high1 Ų148.7 Ų48.71%0.00524%0.243CC..Hα-helixtrans-69.2-40.2177.1-177.859.4000111.9T31 L34 I35 I38 L79 D100 L101 E102 L107 L108 L154T31-L104 HydrophobicContact CG2-CD1 3.61Å; L34-L104 HydrophobicContact CD2-CB 3.88Å; L34-L104 HydrophobicContact CD2-CD1 4.4Å; I35-L104 HydrophobicContact CD1-CD1 4.15Å; I35-L104 HydrophobicContact CG1-CD1 3.67Å; I35-L104 HydrophobicContact CG1-CD2 3.75Å; I35-L104 HydrophobicContact CG1-CG 4.39Å; I38-L104 HydrophobicContact CD1-CB 4.45Å; I38-L104 HydrophobicContact CD1-CD2 4.07Å; L79-L104 HydrophobicContact CD1-CB 4.32Å; L79-L104 HydrophobicContact CD1-CD2 3.74Å; L79-L104 HydrophobicContact CD1-CG 3.76Å; L79-L104 HydrophobicContact CD2-CD2 3.9Å; D100-L104 WeakPolarHBondContact O-CB 3.46Å; D100-L104 PolarHBondContact O-N 2.88Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.43Å; E102-L104 PolarHBondContact O-N 3.4Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.98Å; L104-L154 HydrophobicContact CD2-CD2 3.64Å
105R95.3Very high93.6Very high47 Ų4752.1 Ų52.118%0.17726%0.258CS..Hα-helixtrans-62.9-42.3174.3-69.7-18068.9-156.7-7111.4D76 L79 L101 E102 L107 L108 H109D76-R105 WeakPolarHBondContact OD1-CB 3.24Å; D76-R105 WeakPolarHBondContact OD1-CG 3.36Å; D76-R105 IonicContact OD1-CZ 3.52Å; D76-R105 IonicContact OD1-NE 2.75Å; D76-R105 PolarHBondContact OD1-NE 3.36Å; D76-R105 IonicContact OD1-NH2 3.73Å; D76-R105 PolarHBondContact OD1-NH2 3.39Å; D76-R105 IonicContact OD2-CZ 3.83Å; D76-R105 IonicContact OD2-NE 3.75Å; D76-R105 IonicContact OD2-NH2 2.88Å; D76-R105 PolarHBondContact OD2-NH2 3.32Å; L79-R105 HydrophobicContact CB-CG 3.66Å; L79-R105 HydrophobicContact CD1-CG 3.77Å; L79-R105 HydrophobicContact CG-CG 4.39Å; L101-R105 WeakPolarHBondContact O-CG 3.42Å; L101-R105 PolarHBondContact O-N 3.31Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; R105-L107 VanDerWaalsContact C-N 3.29Å; R105-L107 PolarHBondContact O-N 2.76Å; R105-L108 WeakPolarHBondContact O-CB 3.23Å; R105-L108 PolarHBondContact O-N 3.33Å; R105-H109 PolarHBondContact O-CD2 3.39Å; R105-H109 VanDerWaalsContact O-CD2 3.28Å; R105-H109 PolarHBondContact O-N 2.97Å
106D95.3Very high93.6Very high89 Ų8953.1 Ų53.148%0.47627%0.274SS..Hα-helixtrans-57.6-43174.3-71.4-19.7000111.9E102 L108 H109 L110E102-D106 PolarHBondContact O-N 3.36Å; D106-L108 PolarHBondContact O-N 3.5Å; D106-H109 PolarHBondContact O-N 3.11Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 2.69Å
107L95.8Very high93.6Very high31 Ų3151 Ų5116%0.16227%0.268CS..Hα-helixtrans-65.6-36.5175.5-71.5172.6000112.7V27 D30 L34 N103 L104 R105 L110 L111V27-L107 HydrophobicContact CG1-CD2 4.37Å; D30-L107 HydrophobicContact CB-CD1 4.47Å; D30-L107 HydrophobicContact CB-CD2 4.39Å; L34-L107 HydrophobicContact CB-CD1 4.35Å; L34-L107 HydrophobicContact CD2-CD1 3.84Å; N103-L107 WeakPolarHBondContact O-CG 3.36Å; N103-L107 PolarHBondContact O-N 3.24Å; N103-L107 VanDerWaalsContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 2.96Å; R105-L107 VanDerWaalsContact C-N 3.29Å; R105-L107 PolarHBondContact O-N 2.76Å; L107-L110 HydrophobicContact CD2-CD1 4.37Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-L111 WeakPolarHBondContact O-CB 2.84Å; L107-L111 PolarHBondContact O-N 2.02Å
108L95.1Very high93.3Very high2 Ų258.9 Ų58.91%0.0130%0.304CS..Hα-helixtrans-65.6-41.2173.3-69.1177.3000111.9T31 L72 M75 L79 L104 R105 D106 L111 A112 L119T31-L108 HydrophobicContact CG2-CD2 4.27Å; L72-L108 HydrophobicContact CD2-CD2 3.88Å; M75-L108 HydrophobicContact CB-CD1 3.69Å; M75-L108 HydrophobicContact SD-CD2 4.14Å; L79-L108 HydrophobicContact CD1-CD1 3.54Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.98Å; R105-L108 WeakPolarHBondContact O-CB 3.23Å; R105-L108 PolarHBondContact O-N 3.33Å; D106-L108 PolarHBondContact O-N 3.5Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.26Å; L108-L119 HydrophobicContact CB-CD1 4.48Å
109H94.3Very high93.1Very high73 Ų7358.6 Ų58.634%0.33830%0.302SS..Hα-helixtrans-62.9-43174.2-84.8-80000111.7D76 R105 D106 L111 A112 F113D76-H109 IonicContact OD1-CD2 2.7Å; D76-H109 IonicContact OD1-NE2 3.67Å; D76-H109 IonicContact OD2-NE2 3.73Å; R105-H109 PolarHBondContact O-CD2 3.39Å; R105-H109 VanDerWaalsContact O-CD2 3.28Å; R105-H109 PolarHBondContact O-N 2.97Å; D106-H109 PolarHBondContact O-N 3.11Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 3.27Å; H109-A112 PolarHBondContact O-N 3.26Å; H109-F113 WeakPolarHBondContact O-CB 3.47Å; H109-F113 PolarHBondContact O-N 3.34Å
110L93.6Very high92.8Very high94 Ų9458.1 Ų58.149%0.49230%0.303SS..Hα-helixtrans-62.6-40.8173.7-73172.3000111.9V27 D106 L107 F113 S114V27-L110 HydrophobicContact CG1-CB 3.94Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 2.69Å; L107-L110 HydrophobicContact CD2-CD1 4.37Å; L107-L110 PolarHBondContact O-N 3.34Å; L110-F113 PolarHBondContact O-N 2.91Å; L110-S114 WeakPolarHBondContact O-CB 3.02Å; L110-S114 PolarHBondContact O-N 3.2Å
111L92.9Very high92Very high3 Ų364.8 Ų64.82%0.01634%0.338CS..Hα-helixtrans-65-43176.8-171.865.7000111.1I24 V27 Q28 L72 L107 L108 H109 S114 K115 L161I24-L111 HydrophobicContact CG2-CD1 4Å; V27-L111 HydrophobicContact CG1-CB 4.17Å; V27-L111 HydrophobicContact CG1-CD1 4.49Å; Q28-L111 HydrophobicContact CB-CD1 4.23Å; L72-L111 HydrophobicContact CD1-CD2 4.27Å; L72-L111 HydrophobicContact CD1-CG 4.23Å; L72-L111 HydrophobicContact CD2-CD2 3.81Å; L107-L111 WeakPolarHBondContact O-CB 2.84Å; L107-L111 PolarHBondContact O-N 2.02Å; L108-L111 PolarHBondContact O-N 2.87Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 3.27Å; L111-S114 PolarHBondContact O-N 2.96Å; L111-S114 PolarHBondContact O-OG 2.9Å; L111-K115 PolarHBondContact O-N 3.46Å; L111-L161 HydrophobicContact CD2-CD2 3.63Å
112A92.9Very high91.1Very high1 Ų165.5 Ų65.51%0.00834%0.343CS..Hα-helixtrans-64-44.8176.100000111.7L72 L108 H109 S114 K115 S116 C117 L119L72-A112 HydrophobicContact CD1-CB 4.08Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.26Å; H109-A112 PolarHBondContact O-N 3.26Å; A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.46Å; A112-K115 CarbonylContact O-C 3.53Å; A112-K115 WeakPolarHBondContact O-CA 3.44Å; A112-K115 WeakPolarHBondContact O-CB 3.44Å; A112-K115 PolarHBondContact O-N 3.13Å; A112-S116 PolarHBondContact O-N 3.09Å; A112-C117 CarbonylContact C-O 3.5Å; A112-C117 HydrophobicContact CB-CB 4.18Å; A112-C117 WeakPolarHBondContact O-CB 3.5Å; A112-C117 PolarHBondContact O-N 3.21Å; A112-L119 HydrophobicContact CB-CD1 3.81Å; A112-L119 HydrophobicContact CB-CD2 3.67Å; A112-L119 HydrophobicContact CB-CG 3.5Å
113F91.7Very high89.7Confident163 Ų16363.8 Ų63.872%0.71534%0.343SS*.Hα-helixtrans-56.6-43.7174.4178.6-99.6000111.3H109 L110 K115 S116H109-F113 WeakPolarHBondContact O-CB 3.47Å; H109-F113 PolarHBondContact O-N 3.34Å; L110-F113 PolarHBondContact O-N 2.91Å; F113-K115 PolarHBondContact O-N 3.48Å; F113-S116 PolarHBondContact O-N 3.42Å
114S89.3Confident88.1Confident35 Ų3560.7 Ų60.725%0.24533%0.33CS..Hα-helixtrans-65.3-23.8177.782.90000114L110 L111 A112 S116L110-S114 WeakPolarHBondContact O-CB 3.02Å; L110-S114 PolarHBondContact O-N 3.2Å; L111-S114 PolarHBondContact O-N 2.96Å; L111-S114 PolarHBondContact O-OG 2.9Å; A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.46Å; S114-S116 VanDerWaalsContact C-N 3.33Å
115K89.6Confident86.4Confident72 Ų7262.5 Ų62.531%0.31334%0.34SS..THydrogen-bonded Turntrans-89.34.7172.4-69.4-178.7173.3-178.30113.3L72 L111 A112 F113 C117 P165L72-K115 HydrophobicContact CD1-CD 4.09Å; L111-K115 PolarHBondContact O-N 3.46Å; A112-K115 CarbonylContact O-C 3.53Å; A112-K115 WeakPolarHBondContact O-CA 3.44Å; A112-K115 WeakPolarHBondContact O-CB 3.44Å; A112-K115 PolarHBondContact O-N 3.13Å; F113-K115 PolarHBondContact O-N 3.48Å; K115-C117 PolarHBondContact O-N 3.4Å; K115-P165 PolarHBondContact NZ-O 3.37Å
116S88.6Confident84.5Confident121 Ų12169 Ų6985%0.84637%0.373SS*.THydrogen-bonded Turntrans58.733.8-173.3-56.40000113.4A112 F113 S114A112-S116 PolarHBondContact O-N 3.09Å; F113-S116 PolarHBondContact O-N 3.42Å; S114-S116 VanDerWaalsContact C-N 3.33Å
117C90Very high82.5Confident39 Ų3968.9 Ų68.926%0.26438%0.375SS..  trans-105.3150.5175.6-61.50000111.7A112 K115 C167A112-C117 CarbonylContact C-O 3.5Å; A112-C117 HydrophobicContact CB-CB 4.18Å; A112-C117 WeakPolarHBondContact O-CB 3.5Å; A112-C117 PolarHBondContact O-N 3.21Å; K115-C117 PolarHBondContact O-N 3.4Å; C117-C167 HydrophobicContact CB-CB 3.46Å; C117-C167 VanDerWaalsContact CB-CB 3.46Å; C117-C167 WeakPolarHBondContact CB-SG 3.39Å; C117-C167 WeakPolarHBondContact SG-CB 3.45Å; C117-C167 CovalentContact SG-SG 2.02Å; C117-C167 PolarHBondContact SG-SG 3.45Å
118H89Confident80.5Confident166 Ų16671.1 Ų71.177%0.76939%0.387SS*.  trans-104.8126.5167.4-169.8-77.7000109
119L88.4Confident78.5Confident7 Ų779.7 Ų79.74%0.03743%0.427CS..  trans-86.1124.9170-58.1-174.2000108.1L72 D76 L108 A112L72-L119 HydrophobicContact CB-CD2 3.84Å; D76-L119 HydrophobicContact CB-CD1 4.25Å; L108-L119 HydrophobicContact CB-CD1 4.48Å; A112-L119 HydrophobicContact CB-CD1 3.81Å; A112-L119 HydrophobicContact CB-CD2 3.67Å; A112-L119 HydrophobicContact CB-CG 3.5Å
120P86.1Confident76.7Confident70 Ų7078.9 Ų78.946%0.45543%0.429SS..  trans-56.8148.7172.425.9-32.8000109.3S73 A122S73-P120 WeakPolarHBondContact OG-CD 3.34Å; S73-P120 WeakPolarHBondContact OG-CG 3.39Å; P120-A122 PolarHBondContact O-N 3.02Å
121L79.6Confident75.1Confident159 Ų15974.5 Ų74.583%0.83241%0.406SS*.  trans-59115.9175.3-179.167.1000108.1S123L121-S123 PolarHBondContact O-N 2.75Å
122A77.1Confident73.5Confident15 Ų1576 Ų7612%0.12442%0.422CS..  trans-63.3112.117500000109.4D76 A80 P120 G124D76-A122 WeakPolarHBondContact OD2-CB 3.38Å; A80-A122 HydrophobicContact CB-CB 3.64Å; P120-A122 PolarHBondContact O-N 3.02Å; A122-G124 PolarHBondContact O-N 3.13Å
123S66.4Low72Confident70 Ų7081.8 Ų81.849%0.4945%0.453SS..  trans-79.2111.8167.454.60000106.7Q77 L121Q77-S123 PolarHBondContact NE2-O 3.37Å; Q77-S123 PolarHBondContact OE1-O 3.23Å; L121-S123 PolarHBondContact O-N 2.75Å
124G62.1Low70.5Confident16 Ų1676.3 Ų76.317%0.16543%0.433CS..  trans-58.7171.7168.500000111.6Q84 A122 E126Q84-G124 VanDerWaalsContact CD-CA 3.45Å; Q84-G124 VanDerWaalsContact NE2-CA 3.34Å; Q84-G124 VanDerWaalsContact OE1-C 3.26Å; A122-G124 PolarHBondContact O-N 3.13Å; G124-E126 PolarHBondContact O-N 3.11Å
125L61.5Low69.2Low40 Ų4075.1 Ų75.121%0.20942%0.424CS..  trans-48.1114-178.7-133.889.2000110.2F62 I81 T127 L131F62-L125 HydrophobicContact CB-CD2 4.42Å; I81-L125 HydrophobicContact CD1-CD1 4.46Å; I81-L125 HydrophobicContact CG1-CD1 4.36Å; I81-L125 HydrophobicContact CG2-CD1 4.01Å; L125-T127 PolarHBondContact O-N 2.59Å; L125-L131 HydrophobicContact CD2-CD1 3.93Å
126E55Low67.7Low184 Ų18479.7 Ų79.786%0.8645%0.446SS*.SBendtrans-62.7-11.5175.8-71.8-176.9155.800112.3G124G124-E126 PolarHBondContact O-N 3.11Å
127T52.8Low66.5Low85 Ų8578 Ų7852%0.52144%0.44SS..  trans-11149.5-173.631.30000112.7L125 E129 S130L125-T127 PolarHBondContact O-N 2.59Å; T127-E129 PolarHBondContact O-N 2.71Å; T127-S130 PolarHBondContact O-N 3.02Å; T127-S130 PolarHBondContact O-OG 2.81Å
128L54Low65.4Low78 Ų7878.7 Ų78.741%0.40845%0.445SS..Hα-helixtrans-63.9-22.9175.8-146.6141.4000112.8S130 L131L128-S130 PolarHBondContact O-N 3.47Å; L128-L131 HydrophobicContact CG-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.38Å; L128-L131 PolarHBondContact O-N 2.99Å
129E54.6Low64.4Low183 Ų18374.2 Ų74.286%0.85543%0.426SS*.Hα-helixtrans-62.9-30.2174.8-153.5169.2-15700112.2T127T127-E129 PolarHBondContact O-N 2.71Å
130S56Low63.5Low55 Ų5579.4 Ų79.439%0.38545%0.446SS..Hα-helixtrans-80.7-19.4176.573.40000114.4T127 L128T127-S130 PolarHBondContact O-N 3.02Å; T127-S130 PolarHBondContact O-OG 2.81Å; L128-S130 PolarHBondContact O-N 3.47Å
131L60Low62.9Low2 Ų277.4 Ų77.41%0.0143%0.434CS..Hα-helixtrans-74-37.1179.3-91.3154000111.1F62 I85 L125 L128 V134 L135F62-L131 HydrophobicContact CD2-CD2 3.51Å; F62-L131 HydrophobicContact CD2-CG 4.28Å; F62-L131 HydrophobicContact CE2-CD2 3.19Å; F62-L131 HydrophobicContact CE2-CG 4.33Å; F62-L131 HydrophobicContact CG-CD2 4.36Å; F62-L131 HydrophobicContact CZ-CD2 3.8Å; I85-L131 HydrophobicContact CG1-CD2 4.15Å; L125-L131 HydrophobicContact CD2-CD1 3.93Å; L128-L131 HydrophobicContact CG-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.38Å; L128-L131 PolarHBondContact O-N 2.99Å; L131-V134 PolarHBondContact O-N 3.21Å; L131-L135 HydrophobicContact CB-CD1 4.23Å; L131-L135 HydrophobicContact CD2-CD1 4.28Å; L131-L135 VanDerWaalsContact O-CB 3.24Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.5Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.07Å
132G59.8Low62.9Low34 Ų3470 Ų7035%0.35140%0.395SS..Hα-helixtrans-58.1-52.4-179.200000112.8V134 L135 E136G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.92Å; G132-L135 PolarHBondContact O-N 3.46Å; G132-E136 WeakPolarHBondContact O-CG 3.38Å; G132-E136 PolarHBondContact O-N 2.67Å
133D59.9Low63.2Low124 Ų12470 Ų7066%0.66339%0.392SS*.Hα-helixtrans-61.9-35.7-177.4-68.9-11.2000113A137D133-A137 PolarHBondContact O-N 2.99Å
134V60.3Low64Low48 Ų4868.3 Ų68.329%0.29138%0.379SS..Hα-helixtrans-80.7-36.2179.4-177.10000111.9L60 F62 L131 G132 A137L60-V134 HydrophobicContact CD2-CG1 3.78Å; F62-V134 HydrophobicContact CE1-CB 4.17Å; F62-V134 HydrophobicContact CE1-CG1 3.88Å; F62-V134 HydrophobicContact CE1-CG2 4.47Å; F62-V134 HydrophobicContact CZ-CG1 4.39Å; L131-V134 PolarHBondContact O-N 3.21Å; G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 3.4Å
135L61.6Low65Low9 Ų968.7 Ų68.75%0.04738%0.378CS..Hα-helixtrans-64.2-40.9173.9-79.3162.8000111.1N88 L89 L131 G132 A137 S138 L139 T142N88-L135 HydrophobicContact CB-CD1 3.64Å; L89-L135 HydrophobicContact CD2-CD2 3.42Å; L89-L135 VanDerWaalsContact CD2-CD2 3.42Å; L89-L135 HydrophobicContact CG-CD2 4.21Å; L131-L135 HydrophobicContact CB-CD1 4.23Å; L131-L135 HydrophobicContact CD2-CD1 4.28Å; L131-L135 VanDerWaalsContact O-CB 3.24Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.5Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.07Å; G132-L135 PolarHBondContact O-N 3.46Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.33Å; L135-S138 CarbonylContact O-C 3.34Å; L135-S138 PolarHBondContact O-N 2.88Å; L135-L139 HydrophobicContact CB-CD2 3.92Å; L135-L139 HydrophobicContact CD2-CD2 3.97Å; L135-L139 VanDerWaalsContact O-CD2 3.23Å; L135-L139 WeakPolarHBondContact O-CD2 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.14Å; L135-L139 VanDerWaalsContact O-N 3.15Å; L135-T142 HydrophobicContact CD2-CG2 3.55Å; L135-T142 HydrophobicContact CG-CG2 4.4Å
136E59.4Low66.2Low168 Ų16866.8 Ų66.879%0.78537%0.368SS*.Hα-helixtrans-61.3-36.3177.2-78.7-165.5173.400113G132 S138G132-E136 WeakPolarHBondContact O-CG 3.38Å; G132-E136 PolarHBondContact O-N 2.67Å; E136-S138 PolarHBondContact O-N 2.9Å
137A61.8Low67.8Low87 Ų8758.2 Ų58.272%0.71933%0.328SS*.Hα-helixtrans-68.4-32.1-178.700000113.4D133 V134 L135D133-A137 PolarHBondContact O-N 2.99Å; V134-A137 PolarHBondContact O-N 3.4Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.33Å
138S67.9Low69.4Low52 Ų5257.4 Ų57.436%0.36433%0.326SS..  trans-168.985.2178.91610000112.7L135 E136 Y140 S141 T142L135-S138 CarbonylContact O-C 3.34Å; L135-S138 PolarHBondContact O-N 2.88Å; E136-S138 PolarHBondContact O-N 2.9Å; S138-Y140 PolarHBondContact O-N 2.95Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 2.7Å; S138-T142 PolarHBondContact O-N 3.35Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 2.88Å
139L68.7Low71Confident73 Ų7357 Ų5738%0.38232%0.319SS..Hα-helixtrans-56.7-43.2176.1-69.1171.6000113.4L89 P90 L135 T142 E143L89-L139 HydrophobicContact CD2-CD2 4.4Å; P90-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 HydrophobicContact CB-CD2 3.92Å; L135-L139 HydrophobicContact CD2-CD2 3.97Å; L135-L139 VanDerWaalsContact O-CD2 3.23Å; L135-L139 WeakPolarHBondContact O-CD2 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.14Å; L135-L139 VanDerWaalsContact O-N 3.15Å; L139-T142 PolarHBondContact O-N 2.83Å; L139-E143 PolarHBondContact O-N 2.69Å
140Y68.5Low72.8Confident116 Ų11648.3 Ų48.346%0.45528%0.279SS..Hα-helixtrans-67-44.3-176.5-174-101.8000112.7V51 S138 T142 E143 V144V51-Y140 HydrophobicContact CG2-CE1 3.84Å; V51-Y140 WeakPolarHBondContact CG2-OH 3.45Å; S138-Y140 PolarHBondContact O-N 2.95Å; Y140-T142 VanDerWaalsContact C-N 3.25Å; Y140-T142 PolarHBondContact O-N 3.18Å; Y140-E143 PolarHBondContact O-N 3.32Å; Y140-V144 HydrophobicContact CE1-CG2 4.29Å; Y140-V144 WeakPolarHBondContact O-CG2 3.3Å; Y140-V144 PolarHBondContact O-N 2.87Å
141S73.9Confident74.6Confident27 Ų2747.3 Ų47.319%0.18927%0.268CS..Hα-helixtrans-65.9-31.7175.6-168.20000112V57 S138 V145V57-S141 WeakPolarHBondContact CG2-OG 3.29Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 2.7Å; S141-V145 WeakPolarHBondContact O-CB 3.3Å; S141-V145 VanDerWaalsContact O-CG2 3.25Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 3.43Å
142T79.1Confident76Confident3 Ų347.9 Ų47.92%0.01827%0.274CS..Hα-helixtrans-72.5-41.9178.5-54.40000111.1L60 F62 L89 L135 S138 L139 Y140 V145 A146L60-T142 HydrophobicContact CD2-CG2 4.17Å; F62-T142 HydrophobicContact CZ-CG2 4.37Å; L89-T142 HydrophobicContact CD2-CG2 4.4Å; L135-T142 HydrophobicContact CD2-CG2 3.55Å; L135-T142 HydrophobicContact CG-CG2 4.4Å; S138-T142 PolarHBondContact O-N 3.35Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 2.88Å; L139-T142 PolarHBondContact O-N 2.83Å; Y140-T142 VanDerWaalsContact C-N 3.25Å; Y140-T142 PolarHBondContact O-N 3.18Å; T142-V145 PolarHBondContact O-N 2.99Å; T142-A146 WeakPolarHBondContact O-CB 3.22Å; T142-A146 PolarHBondContact O-N 3.34Å
143E83.7Confident77.6Confident16 Ų1646.5 Ų46.58%0.07526%0.259CS..Hα-helixtrans-57-51.6174.5-178.2176.6168.700111.5L89 S91 V94 L139 Y140 V145 A146 L147L89-E143 HydrophobicContact CD1-CB 4.1Å; L89-E143 HydrophobicContact CD1-CG 4.41Å; L89-E143 HydrophobicContact CD2-CB 4.23Å; S91-E143 PolarHBondContact OG-OE1 3.28Å; V94-E143 HydrophobicContact CG2-CG 3.96Å; V94-E143 WeakPolarHBondContact CG2-OE1 3.45Å; L139-E143 PolarHBondContact O-N 2.69Å; Y140-E143 PolarHBondContact O-N 3.32Å; E143-V145 PolarHBondContact O-N 3.5Å; E143-A146 PolarHBondContact O-N 3.14Å; E143-L147 HydrophobicContact CG-CD1 3.86Å; E143-L147 HydrophobicContact CG-CG 4.37Å; E143-L147 WeakPolarHBondContact O-CB 3.5Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.34Å; E143-L147 PolarHBondContact O-N 3.05Å
144V82.5Confident79.2Confident35 Ų3540.6 Ų40.621%0.21223%0.228CC..Hα-helixtrans-61.7-44.8-178174.80000111.5V51 Y140 S148V51-V144 HydrophobicContact CB-CG1 4.37Å; V51-V144 HydrophobicContact CG1-CG1 4.03Å; V51-V144 HydrophobicContact CG1-CG2 4.48Å; V51-V144 HydrophobicContact CG2-CG2 4.25Å; Y140-V144 HydrophobicContact CE1-CG2 4.29Å; Y140-V144 WeakPolarHBondContact O-CG2 3.3Å; Y140-V144 PolarHBondContact O-N 2.87Å; V144-S148 VanDerWaalsContact O-CB 3.28Å; V144-S148 WeakPolarHBondContact O-CB 3.49Å; V144-S148 PolarHBondContact O-N 3.49Å
145V83.3Confident80.8Confident24 Ų2443.1 Ų43.115%0.14524%0.236CC..Hα-helixtrans-70.8-40.3-178.5176.20000111.2V57 L60 I63 S141 T142 E143 S148 R149V57-V145 HydrophobicContact CG2-CG2 4.22Å; L60-V145 HydrophobicContact CD1-CB 3.62Å; L60-V145 HydrophobicContact CD1-CG1 3.65Å; L60-V145 HydrophobicContact CD1-CG2 3.77Å; I63-V145 HydrophobicContact CD1-CB 4.47Å; I63-V145 HydrophobicContact CD1-CG1 4.05Å; S141-V145 WeakPolarHBondContact O-CB 3.3Å; S141-V145 VanDerWaalsContact O-CG2 3.25Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 3.43Å; T142-V145 PolarHBondContact O-N 2.99Å; E143-V145 PolarHBondContact O-N 3.5Å; V145-S148 PolarHBondContact O-N 3.07Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CG 3.49Å; V145-R149 PolarHBondContact O-N 3.28Å
146A86.3Confident82.2Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-61.1-47.6175.800000111.5I63 I85 L89 T142 E143 R149 L150I63-A146 HydrophobicContact CD1-CB 4.12Å; I85-A146 HydrophobicContact CG2-CB 3.87Å; L89-A146 HydrophobicContact CD1-CB 4.42Å; T142-A146 WeakPolarHBondContact O-CB 3.22Å; T142-A146 PolarHBondContact O-N 3.34Å; E143-A146 PolarHBondContact O-N 3.14Å; A146-R149 PolarHBondContact O-N 2.91Å; A146-L150 VanDerWaalsContact O-CB 3.23Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.9Å
147L89.4Confident83.9Confident3 Ų337.1 Ų37.12%0.01621%0.21CC..Hα-helixtrans-65.9-39.1178.6-68.6179.7000112.2I42 I45 L86 V94 I97 E143 L150 Q151I42-L147 HydrophobicContact CG1-CD2 4.37Å; I42-L147 HydrophobicContact CG2-CB 4.11Å; I45-L147 HydrophobicContact CD1-CD1 4.01Å; I45-L147 HydrophobicContact CG2-CD1 4.05Å; L86-L147 HydrophobicContact CD2-CD2 4.07Å; V94-L147 HydrophobicContact CG2-CD1 4.42Å; I97-L147 HydrophobicContact CD1-CD2 3.79Å; E143-L147 HydrophobicContact CG-CD1 3.86Å; E143-L147 HydrophobicContact CG-CG 4.37Å; E143-L147 WeakPolarHBondContact O-CB 3.5Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.34Å; E143-L147 PolarHBondContact O-N 3.05Å; L147-L150 PolarHBondContact O-N 2.85Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.2Å
148S86.6Confident85.4Confident68 Ų6834.9 Ų34.948%0.47619%0.185SC..Hα-helixtrans-64.8-44.3176.7179.50000112.3V144 V145 Q151 G152V144-S148 VanDerWaalsContact O-CB 3.28Å; V144-S148 WeakPolarHBondContact O-CB 3.49Å; V144-S148 PolarHBondContact O-N 3.49Å; V145-S148 PolarHBondContact O-N 3.07Å; S148-Q151 PolarHBondContact O-N 2.91Å; S148-G152 PolarHBondContact O-N 3Å
149R88.6Confident86.5Confident71 Ų7140.1 Ų40.127%0.26820%0.197SC..Hα-helixtrans-68.8-40.5176.7-68.1-174.9-175.5179.111.1111.6L60 I63 Y82 V145 A146 Q151 G152 S153L60-R149 PolarHBondContact O-NH1 3.45Å; I63-R149 HydrophobicContact CG2-CB 4Å; I63-R149 HydrophobicContact CG2-CG 4.33Å; I63-R149 PolarHBondContact O-NH1 3.44Å; Y82-R149 HydrophobicContact CE1-CB 4.44Å; Y82-R149 WeakPolarHBondContact OH-CB 3.42Å; Y82-R149 PolarHBondContact OH-O 3.2Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CG 3.49Å; V145-R149 PolarHBondContact O-N 3.28Å; A146-R149 PolarHBondContact O-N 2.91Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.31Å; R149-G152 PolarHBondContact O-N 3.11Å; R149-G152 VanDerWaalsContact O-N 3.15Å; R149-S153 PolarHBondContact O-N 3.15Å; R149-S153 PolarHBondContact O-OG 3.27Å
150L92.2Very high87.6Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-57.7-45.5174.7173.160.3000111.2I42 Y82 L86 I97 L101 A146 L147 G152 S153 L154I42-L150 HydrophobicContact CD1-CB 4.49Å; I42-L150 HydrophobicContact CD1-CD2 3.96Å; I42-L150 HydrophobicContact CD1-CG 4Å; Y82-L150 HydrophobicContact CD1-CB 3.85Å; Y82-L150 HydrophobicContact CD1-CD1 4.23Å; Y82-L150 HydrophobicContact CD1-CG 4.47Å; Y82-L150 HydrophobicContact CD2-CB 4.49Å; Y82-L150 HydrophobicContact CD2-CD1 3.64Å; Y82-L150 HydrophobicContact CE1-CB 3.7Å; Y82-L150 HydrophobicContact CE2-CB 4.36Å; Y82-L150 HydrophobicContact CE2-CD1 4.05Å; Y82-L150 HydrophobicContact CG-CB 4.26Å; Y82-L150 HydrophobicContact CG-CD1 3.75Å; Y82-L150 HydrophobicContact CG-CG 4.45Å; Y82-L150 PolarHBondContact OH-N 3.07Å; L86-L150 HydrophobicContact CD1-CD2 4.09Å; I97-L150 HydrophobicContact CG2-CD2 3.82Å; L101-L150 HydrophobicContact CD1-CD1 4.29Å; L101-L150 HydrophobicContact CD1-CD2 4.08Å; L101-L150 HydrophobicContact CD2-CD1 3.94Å; L101-L150 HydrophobicContact CD2-CD2 4.25Å; A146-L150 VanDerWaalsContact O-CB 3.23Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.9Å; L147-L150 PolarHBondContact O-N 2.85Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.92Å; L150-S153 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD1-CD1 3.93Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 3.91Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CB 3.37Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.28Å
151Q92.5Very high88.8Confident34 Ų3432.5 Ų32.516%0.15916%0.163CC..Hα-helixtrans-56.5-46.1176.5174.5178.269.600111.8V39 I42 N43 L147 S148 R149 L154 Q155V39-Q151 HydrophobicContact CG1-CG 4.26Å; I42-Q151 HydrophobicContact CD1-CB 4.14Å; I42-Q151 HydrophobicContact CG2-CB 4.14Å; N43-Q151 VanDerWaalsContact CG-NE2 3.29Å; N43-Q151 PolarHBondContact ND2-NE2 2.92Å; N43-Q151 PolarHBondContact OD1-NE2 3.28Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.2Å; S148-Q151 PolarHBondContact O-N 2.91Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.31Å; Q151-L154 PolarHBondContact O-N 2.89Å; Q151-Q155 WeakPolarHBondContact O-CG 3.43Å; Q151-Q155 PolarHBondContact O-N 3.33Å
152G90.4Very high89.5Confident14 Ų1435.6 Ų35.614%0.14418%0.178CC..Hα-helixtrans-63.8-45177.300000112.4S148 R149 L150 L154 Q155 D156S148-G152 PolarHBondContact O-N 3Å; R149-G152 PolarHBondContact O-N 3.11Å; R149-G152 VanDerWaalsContact O-N 3.15Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.92Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 3.37Å; G152-Q155 WeakPolarHBondContact O-CB 3.33Å; G152-Q155 PolarHBondContact O-N 2.79Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; G152-D156 PolarHBondContact O-N 3.47Å
153S92.4Very high90Very high5 Ų540.3 Ų40.34%0.03520%0.202CC..Hα-helixtrans-59.3-40175-59.50000112.3Y82 R149 L150 D156 M157Y82-S153 PolarHBondContact OH-OG 3.39Å; R149-S153 PolarHBondContact O-N 3.15Å; R149-S153 PolarHBondContact O-OG 3.27Å; L150-S153 PolarHBondContact O-N 2.92Å; S153-D156 PolarHBondContact O-N 3.25Å; S153-M157 WeakPolarHBondContact O-CG 3.48Å; S153-M157 PolarHBondContact O-N 3.35Å
154L94.6Very high90.2Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-65.1-37.8176.4-75.6171.2000112.2I35 I38 V39 I42 L79 L104 L150 Q151 G152 M157 L158I35-L154 HydrophobicContact CG1-CD2 4.27Å; I35-L154 HydrophobicContact CG2-CB 4.06Å; I35-L154 HydrophobicContact CG2-CD2 4.34Å; I35-L154 VanDerWaalsContact CG2-O 3.29Å; I35-L154 WeakPolarHBondContact CG2-O 3.39Å; I38-L154 HydrophobicContact CB-CD1 3.97Å; I38-L154 HydrophobicContact CG2-CD1 3.41Å; I38-L154 VanDerWaalsContact CG2-CD1 3.41Å; V39-L154 HydrophobicContact CG2-CB 3.8Å; V39-L154 HydrophobicContact CG2-CD1 4.15Å; I42-L154 HydrophobicContact CD1-CD1 4.03Å; L79-L154 HydrophobicContact CD2-CD2 4.23Å; L104-L154 HydrophobicContact CD2-CD2 3.64Å; L150-L154 HydrophobicContact CD1-CD1 3.93Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 3.91Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CB 3.37Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 2.89Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 3.37Å; L154-M157 HydrophobicContact CD2-SD 4.31Å; L154-M157 PolarHBondContact O-N 3.07Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.34Å
155Q92.9Very high90.5Very high101 Ų10142.1 Ų42.147%0.47222%0.218SC..Hα-helixtrans-66.6-41.9174.5-71.7172.9-200111.6V39 Q151 G152 L158 W159V39-Q155 HydrophobicContact CG2-CG 4.5Å; Q151-Q155 WeakPolarHBondContact O-CG 3.43Å; Q151-Q155 PolarHBondContact O-N 3.33Å; G152-Q155 WeakPolarHBondContact O-CB 3.33Å; G152-Q155 PolarHBondContact O-N 2.79Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; Q155-L158 WeakPolarHBondContact O-CB 3.37Å; Q155-L158 PolarHBondContact O-N 2.84Å; Q155-W159 PolarHBondContact O-N 2.97Å; Q155-W159 VanDerWaalsContact O-N 3.07Å
156D91.7Very high90.8Very high48 Ų4843.1 Ų43.126%0.25723%0.233SC..Hα-helixtrans-62-44.8174.3-74.2-12.7000111.2L66 L70 G152 S153 L158 W159 Q160L66-D156 WeakPolarHBondContact CD2-OD2 3.41Å; L70-D156 HydrophobicContact CD1-CB 3.89Å; G152-D156 PolarHBondContact O-N 3.47Å; S153-D156 PolarHBondContact O-N 3.25Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3Å; D156-W159 PolarHBondContact O-N 3.46Å; D156-Q160 WeakPolarHBondContact O-CB 3.26Å; D156-Q160 VanDerWaalsContact O-CG 3.23Å; D156-Q160 WeakPolarHBondContact O-CG 3.39Å; D156-Q160 PolarHBondContact O-N 3.28Å
157M94.1Very high91Very high3 Ų346.4 Ų46.42%0.01526%0.256CS..Hα-helixtrans-59-43.4174.8-70.9171.2-169.300111.6I35 L70 M75 T78 L79 S153 L154 W159 Q160 L161I35-M157 HydrophobicContact CD1-CB 4.19Å; L70-M157 HydrophobicContact CD1-CG 4.03Å; M75-M157 HydrophobicContact CB-CE 4.22Å; M75-M157 HydrophobicContact CB-CG 4.35Å; M75-M157 HydrophobicContact CB-SD 4.36Å; M75-M157 HydrophobicContact CE-CG 4.48Å; M75-M157 HydrophobicContact CG-CG 3.86Å; M75-M157 HydrophobicContact SD-CB 4.28Å; M75-M157 HydrophobicContact SD-CG 4.07Å; T78-M157 HydrophobicContact CG2-CE 3.84Å; L79-M157 HydrophobicContact CD1-SD 4.45Å; L79-M157 HydrophobicContact CD2-CE 3.94Å; L79-M157 HydrophobicContact CD2-SD 4.03Å; L79-M157 HydrophobicContact CG-CE 3.92Å; L79-M157 HydrophobicContact CG-SD 4.24Å; S153-M157 WeakPolarHBondContact O-CG 3.48Å; S153-M157 PolarHBondContact O-N 3.35Å; L154-M157 HydrophobicContact CD2-SD 4.31Å; L154-M157 PolarHBondContact O-N 3.07Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 2.93Å; M157-Q160 PolarHBondContact O-N 2.69Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 VanDerWaalsContact O-CG 3.23Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 2.77Å
158L94.2Very high91Very high39 Ų3948.6 Ų48.620%0.20427%0.268CS..Hα-helixtrans-57.9-47.4178.3-168.772000111.1K32 I35 K36 L154 Q155 D156 L161 D162K32-L158 HydrophobicContact CB-CD1 3.75Å; K32-L158 HydrophobicContact CG-CD1 3.81Å; I35-L158 HydrophobicContact CB-CD1 4.16Å; I35-L158 HydrophobicContact CD1-CD1 4.48Å; I35-L158 HydrophobicContact CG2-CB 4.02Å; I35-L158 HydrophobicContact CG2-CD1 3.97Å; I35-L158 HydrophobicContact CG2-CG 4.47Å; K36-L158 HydrophobicContact CG-CD1 4.35Å; K36-L158 HydrophobicContact CG-CD2 4.17Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.34Å; Q155-L158 WeakPolarHBondContact O-CB 3.37Å; Q155-L158 PolarHBondContact O-N 2.84Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-D162 PolarHBondContact O-N 3.36Å
159W91.8Very high91.3Very high163 Ų16347.5 Ų47.562%0.61726%0.257SS*.Hα-helixtrans-62.9-46.9176.8175.6-102000111.9Q155 D156 M157 L161 D162 L163Q155-W159 PolarHBondContact O-N 2.97Å; Q155-W159 VanDerWaalsContact O-N 3.07Å; D156-W159 PolarHBondContact O-N 3.46Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 2.93Å; W159-L161 VanDerWaalsContact C-N 3.28Å; W159-L161 PolarHBondContact O-N 2.77Å; W159-D162 WeakPolarHBondContact O-CB 3.28Å; W159-D162 PolarHBondContact O-N 2.93Å; W159-L163 PolarHBondContact O-N 3.27Å
160Q91.5Very high91.4Very high27 Ų2746.2 Ų46.213%0.12626%0.256CS..Hα-helixtrans-63.3-35.7180-70.4-70.5-6.700111.8P68 L70 M75 D156 M157 D162 L163 S164 P165P68-Q160 PolarHBondContact O-NE2 3.29Å; L70-Q160 HydrophobicContact CB-CG 4.16Å; L70-Q160 HydrophobicContact CD1-CG 4.36Å; M75-Q160 HydrophobicContact CE-CB 3.45Å; M75-Q160 VanDerWaalsContact CE-CB 3.45Å; M75-Q160 HydrophobicContact CE-CG 4.36Å; D156-Q160 WeakPolarHBondContact O-CB 3.26Å; D156-Q160 VanDerWaalsContact O-CG 3.23Å; D156-Q160 WeakPolarHBondContact O-CG 3.39Å; D156-Q160 PolarHBondContact O-N 3.28Å; M157-Q160 PolarHBondContact O-N 2.69Å; Q160-D162 PolarHBondContact O-N 3.21Å; Q160-L163 CarbonylContact O-C 3.45Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.07Å; Q160-L163 PolarHBondContact O-N 3.28Å; Q160-S164 PolarHBondContact O-N 3.18Å; Q160-P165 VanDerWaalsContact O-CD 3.24Å; Q160-P165 WeakPolarHBondContact O-CD 3.41Å
161L92Very high91.4Very high1 Ų148.9 Ų48.91%0.00527%0.271CS..Hα-helixtrans-63.3-25.7173.5-73.2169.9000113.1Q28 T31 K32 I35 L72 L111 M157 L158 W159 L163 P165Q28-L161 PolarHBondContact NE2-O 2.99Å; T31-L161 HydrophobicContact CG2-CD1 3.57Å; K32-L161 HydrophobicContact CG-CB 4.45Å; K32-L161 HydrophobicContact CG-CD1 4.35Å; I35-L161 HydrophobicContact CD1-CD1 3.53Å; L72-L161 HydrophobicContact CD2-CD2 4.27Å; L111-L161 HydrophobicContact CD2-CD2 3.63Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 VanDerWaalsContact O-CG 3.23Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 2.77Å; L158-L161 PolarHBondContact O-N 3.13Å; W159-L161 VanDerWaalsContact C-N 3.28Å; W159-L161 PolarHBondContact O-N 2.77Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-P165 HydrophobicContact CD2-CG 4.35Å
162D90.1Very high91.3Very high93 Ų9349.9 Ų49.950%0.49728%0.278SS..Hα-helixtrans-70.8-31.4170.5-72.2-40000111.8K32 L158 W159 Q160 S164K32-D162 VanDerWaalsContact CE-OD1 3.3Å; K32-D162 WeakPolarHBondContact CE-OD1 3.4Å; K32-D162 IonicContact NZ-OD1 3.59Å; K32-D162 PolarHBondContact NZ-OD1 3.28Å; L158-D162 PolarHBondContact O-N 3.36Å; W159-D162 WeakPolarHBondContact O-CB 3.28Å; W159-D162 PolarHBondContact O-N 2.93Å; Q160-D162 PolarHBondContact O-N 3.21Å; D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.4Å
163L89.9Confident91.4Very high101 Ų10152.3 Ų52.353%0.52929%0.287SS..SBendtrans-82.4-0.3178.8-56.9-179000114W159 Q160 L161W159-L163 PolarHBondContact O-N 3.27Å; Q160-L163 CarbonylContact O-C 3.45Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.07Å; Q160-L163 PolarHBondContact O-N 3.28Å; L161-L163 VanDerWaalsContact C-N 3.33Å
164S87.4Confident91.3Very high78 Ų7855.6 Ų55.655%0.54531%0.305SS..  trans55.673.2-176.5-61.80000112.1Q160 D162Q160-S164 PolarHBondContact O-N 3.18Å; D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.4Å
165P88.6Confident91Very high11 Ų1159.9 Ų59.97%0.07133%0.328CS..  trans-67.9156.7-169.131.1-31.7000110.8L70 L72 M75 K115 Q160 L161L70-P165 WeakPolarHBondContact O-CB 3.38Å; L72-P165 HydrophobicContact CD2-CG 3.89Å; L72-P165 HydrophobicContact CG-CG 4.31Å; M75-P165 HydrophobicContact CE-CB 4.2Å; M75-P165 HydrophobicContact CE-CG 3.87Å; K115-P165 PolarHBondContact NZ-O 3.37Å; Q160-P165 VanDerWaalsContact O-CD 3.24Å; Q160-P165 WeakPolarHBondContact O-CD 3.41Å; L161-P165 HydrophobicContact CD2-CG 4.35Å
166G89.6Confident90.9Very high45 Ų4556.5 Ų56.546%0.46432%0.316SS..  trans-65.1175.3170.300000112.4T71 L72T71-G166 CarbonylContact C-O 3.58Å; T71-G166 WeakPolarHBondContact CA-O 3.43Å; T71-G166 WeakPolarHBondContact CB-O 3.36Å; L72-G166 PolarHBondContact N-O 3.38Å
167C89.6Confident90.8Very high69 Ų6957.3 Ų57.347%0.46632%0.322SS..  trans-93.50163-51.20000106.9T71 C117T71-C167 WeakPolarHBondContact CB-O 3.24Å; T71-C167 PolarHBondContact OG1-O 3.49Å; C117-C167 HydrophobicContact CB-CB 3.46Å; C117-C167 VanDerWaalsContact CB-CB 3.46Å; C117-C167 WeakPolarHBondContact CB-SG 3.39Å; C117-C167 WeakPolarHBondContact SG-CB 3.45Å; C117-C167 CovalentContact SG-SG 2.02Å; C117-C167 PolarHBondContact SG-SG 3.45Å

Retrieved 167 of 167 residues in 49.4 ms (Link to these results)