A0A087XD69_POEFO Loading...

m7GpppN-mRNA hydrolase

Decapping metalloenzyme that catalyzes the cleavage of the cap structure on mRNAs. Removes the 7-methyl guanine cap structure from mRNA molecules, yielding a 5'-phosphorylated mRNA fragment and 7m-GDP. Necessary for the degradation of mRNAs, both in normal mRNA turnover and in nonsense-mediated mRNA decay. Plays a role in replication-dependent histone mRNA degradation. Has higher activity towards mRNAs that lack a poly(A) tail. Has no activity towards a cap structure lacking an RNA moiety. The presence of a N(6)-methyladenosine methylation at the second transcribed position of mRNAs (N(6),2'-O-dimethyladenosine cap; m6A(m)) provides resistance to DCP2-mediated decapping. Blocks autophagy in nutrient-rich conditions by repressing the expression of ATG-related genes through degradation of their transcripts.

AlphaFold DB , UniProt , Accession A0A087XD69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	32.8	Very low	63.1	Low	241 Å²	241	133.8 Å²	133.8	100%	1.187	68%	0.676	S	S	*	*				0	101.5	0	-70.5	-179.6	-168.4	0	0	106.5	T3	M1-T3 PolarHBondContact O-N 3.29Å
2	E	34.3	Very low	65.1	Low	196 Å²	196	123.8 Å²	123.8	92%	0.916	63%	0.626	S	S	*	*			trans	-64.4	120.6	171.1	-81.2	170	142	0	0	108	K4	E2-K4 PolarHBondContact O-N 3.34Å
3	T	37.6	Very low	67	Low	134 Å²	134	115.2 Å²	115.2	82%	0.822	58%	0.583	S	S	*	*			trans	-62.5	102.1	168.1	33.6	0	0	0	0	107.2	M1 R5	M1-T3 PolarHBondContact O-N 3.29Å; T3-R5 PolarHBondContact O-N 3.39Å
4	K	43.5	Very low	68.6	Low	199 Å²	199	113 Å²	113	87%	0.865	57%	0.573	S	S	*	*			trans	-49.7	108	174.7	-139.9	178.7	-174.2	-175.6	0	107.4	E2 V6	E2-K4 PolarHBondContact O-N 3.34Å; K4-V6 PolarHBondContact O-N 3.29Å
5	R	56.9	Low	69.9	Low	206 Å²	206	109.1 Å²	109.1	78%	0.777	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-59.8	123.4	174.4	-76.2	-174.9	178.8	-170.1	-0.1	105.8	T3 E7	T3-R5 PolarHBondContact O-N 3.39Å; R5-E7 PolarHBondContact O-N 3.4Å
6	V	63.6	Low	71.1	Confident	97 Å²	97	102.4 Å²	102.4	59%	0.588	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.5	120	175.4	-175.1	0	0	0	0	106.3	K4 G56 P58	K4-V6 PolarHBondContact O-N 3.29Å; V6-G56 WeakPolarHBondContact CG1-O 3.42Å; V6-P58 HydrophobicContact CB-CB 4.25Å; V6-P58 HydrophobicContact CG1-CB 4.47Å; V6-P58 WeakPolarHBondContact O-CB 3.37Å; V6-P58 VanDerWaalsContact O-CG 3.22Å; V6-P58 WeakPolarHBondContact O-CG 2.73Å
7	E	80.2	Confident	72.2	Confident	166 Å²	166	96.6 Å²	96.6	78%	0.776	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-87.4	156.7	179.1	-72.4	175	179.6	0	0	110.3	R5	R5-E7 PolarHBondContact O-N 3.4Å
8	I	85.2	Confident	73.1	Confident	17 Å²	17	93.8 Å²	93.8	9%	0.087	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-67.6	128	176.2	-56.3	171.1	0	0	0	107.4	T10 V12 L13 Y46 P58 F65 A68	I8-T10 PolarHBondContact O-N 3Å; I8-V12 HydrophobicContact CG2-CB 4.29Å; I8-V12 HydrophobicContact CG2-CG1 4.19Å; I8-L13 HydrophobicContact CB-CD1 4.34Å; I8-L13 HydrophobicContact CB-CD2 4.28Å; I8-L13 HydrophobicContact CB-CG 4.24Å; I8-L13 HydrophobicContact CD1-CD2 4.31Å; I8-L13 HydrophobicContact CG2-CD1 4.46Å; I8-L13 HydrophobicContact CG2-CD2 3.87Å; I8-L13 HydrophobicContact CG2-CG 3.83Å; I8-Y46 HydrophobicContact CG2-CE2 3.98Å; I8-P58 HydrophobicContact CG1-CG 3.87Å; I8-F65 HydrophobicContact CD1-CD2 3.48Å; I8-F65 VanDerWaalsContact CD1-CD2 3.48Å; I8-F65 HydrophobicContact CD1-CE2 3.98Å; I8-F65 HydrophobicContact CD1-CG 4.4Å; I8-A68 HydrophobicContact CD1-CB 4.08Å
9	P	86.8	Confident	73.9	Confident	45 Å²	45	94.9 Å²	94.9	29%	0.292	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.8	179.2	-24.9	33.8	0	0	0	111.9	S11 V12 L13	P9-S11 VanDerWaalsContact C-N 3.26Å; P9-S11 PolarHBondContact O-N 3.37Å; P9-V12 HydrophobicContact CB-CB 4.49Å; P9-V12 HydrophobicContact CB-CG2 4.12Å; P9-V12 HydrophobicContact CG-CG2 4.34Å; P9-V12 WeakPolarHBondContact O-CB 3.47Å; P9-V12 PolarHBondContact O-N 3.27Å; P9-L13 PolarHBondContact O-N 3.14Å; P9-L13 VanDerWaalsContact O-N 3.16Å
10	T	86.8	Confident	74.7	Confident	87 Å²	87	90.5 Å²	90.5	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-55.3	-40	-178.9	-48.7	0	0	0	0	112.5	I8 V12 L13 D14 H72	I8-T10 PolarHBondContact O-N 3Å; T10-V12 PolarHBondContact O-N 3.47Å; T10-L13 CarbonylContact O-C 3.57Å; T10-L13 WeakPolarHBondContact O-CA 3.43Å; T10-L13 WeakPolarHBondContact O-CB 3.3Å; T10-L13 PolarHBondContact O-N 2.91Å; T10-D14 PolarHBondContact O-N 3.21Å; T10-H72 VanDerWaalsContact CG2-CE1 3.44Å; T10-H72 WeakPolarHBondContact CG2-CE1 3.32Å
11	S	86.7	Confident	75.3	Confident	84 Å²	84	86.3 Å²	86.3	59%	0.587	44%	0.436	S	S	*	.	H	α-helix	trans	-62.1	-30.6	177.4	56.2	0	0	0	0	113.6	P9 D15	P9-S11 VanDerWaalsContact C-N 3.26Å; P9-S11 PolarHBondContact O-N 3.37Å; S11-D15 PolarHBondContact O-N 3.35Å
12	V	87.5	Confident	77.7	Confident	14 Å²	14	79.6 Å²	79.6	9%	0.085	40%	0.404	C	S	.	.	H	α-helix	trans	-74.3	-40.2	174.5	175.3	0	0	0	0	109.9	I8 P9 T10 D15 L16 Y46 C50	I8-V12 HydrophobicContact CG2-CB 4.29Å; I8-V12 HydrophobicContact CG2-CG1 4.19Å; P9-V12 HydrophobicContact CB-CB 4.49Å; P9-V12 HydrophobicContact CB-CG2 4.12Å; P9-V12 HydrophobicContact CG-CG2 4.34Å; P9-V12 WeakPolarHBondContact O-CB 3.47Å; P9-V12 PolarHBondContact O-N 3.27Å; T10-V12 PolarHBondContact O-N 3.47Å; V12-D15 PolarHBondContact O-N 3.03Å; V12-L16 HydrophobicContact CG1-CD1 3.72Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 3.05Å; V12-Y46 HydrophobicContact CG1-CD2 3.79Å; V12-Y46 HydrophobicContact CG1-CE2 4Å; V12-C50 HydrophobicContact CG1-CB 4.01Å
13	L	89.6	Confident	79.9	Confident	11 Å²	11	76.8 Å²	76.8	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-39.8	174.8	-67.3	173	0	0	0	111.8	I8 P9 T10 L16 C17 V69 H72	I8-L13 HydrophobicContact CB-CD1 4.34Å; I8-L13 HydrophobicContact CB-CD2 4.28Å; I8-L13 HydrophobicContact CB-CG 4.24Å; I8-L13 HydrophobicContact CD1-CD2 4.31Å; I8-L13 HydrophobicContact CG2-CD1 4.46Å; I8-L13 HydrophobicContact CG2-CD2 3.87Å; I8-L13 HydrophobicContact CG2-CG 3.83Å; P9-L13 PolarHBondContact O-N 3.14Å; P9-L13 VanDerWaalsContact O-N 3.16Å; T10-L13 CarbonylContact O-C 3.57Å; T10-L13 WeakPolarHBondContact O-CA 3.43Å; T10-L13 WeakPolarHBondContact O-CB 3.3Å; T10-L13 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 3.32Å; L13-C17 VanDerWaalsContact O-CB 3.26Å; L13-C17 WeakPolarHBondContact O-CB 3.5Å; L13-C17 PolarHBondContact O-N 3.18Å; L13-C17 PolarHBondContact O-SG 3.43Å; L13-V69 HydrophobicContact CD2-CG2 4.16Å; L13-H72 HydrophobicContact CB-CB 4.49Å; L13-H72 HydrophobicContact CD1-CB 4.11Å
14	D	88.9	Confident	82	Confident	85 Å²	85	70.9 Å²	70.9	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-49.6	175.1	-71.4	-33.5	0	0	0	111.7	T10 C17 S18 H72	T10-D14 PolarHBondContact O-N 3.21Å; D14-C17 PolarHBondContact O-N 3.47Å; D14-S18 WeakPolarHBondContact O-CB 3.45Å; D14-S18 PolarHBondContact O-N 3.22Å; D14-S18 PolarHBondContact O-OG 3.04Å; D14-H72 IonicContact OD1-CD2 3.16Å; D14-H72 IonicContact OD1-CE1 3.87Å; D14-H72 PolarHBondContact OD1-CE1 3.44Å; D14-H72 IonicContact OD1-NE2 3.72Å; D14-H72 PolarHBondContact OD1-NE2 3.04Å
15	D	88.4	Confident	83.9	Confident	55 Å²	55	64.2 Å²	64.2	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-48	177.1	179.6	66.6	0	0	0	111.1	S11 V12 C17 S18 R19	S11-D15 PolarHBondContact O-N 3.35Å; V12-D15 PolarHBondContact O-N 3.03Å; D15-C17 PolarHBondContact O-N 3.19Å; D15-S18 PolarHBondContact O-N 3.21Å; D15-S18 PolarHBondContact O-OG 3.47Å; D15-R19 VanDerWaalsContact O-CG 3.32Å; D15-R19 WeakPolarHBondContact O-CG 3.41Å; D15-R19 PolarHBondContact O-N 3.05Å; D15-R19 IonicContact OD1-CZ 3.5Å; D15-R19 IonicContact OD1-NE 3.14Å; D15-R19 PolarHBondContact OD1-NE 2.95Å; D15-R19 IonicContact OD1-NH2 3.59Å; D15-R19 PolarHBondContact OD1-NH2 3.32Å; D15-R19 IonicContact OD2-CZ 3.62Å; D15-R19 IonicContact OD2-NE 3.81Å; D15-R19 PolarHBondContact OD2-NE 3.41Å; D15-R19 IonicContact OD2-NH2 2.78Å
16	L	89.8	Confident	84.9	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-42.8	179	-69.8	168.9	0	0	0	112.4	V12 L13 S18 R19 F20 A42 F45 Y46 F65	V12-L16 HydrophobicContact CG1-CD1 3.72Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 3.32Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-R19 PolarHBondContact O-N 3.4Å; L16-F20 HydrophobicContact CD2-CD2 4.26Å; L16-F20 HydrophobicContact CD2-CE2 4.02Å; L16-F20 WeakPolarHBondContact O-CD2 3.25Å; L16-F20 PolarHBondContact O-N 3.42Å; L16-A42 HydrophobicContact CB-CB 4.48Å; L16-A42 HydrophobicContact CD2-CB 4.46Å; L16-F45 HydrophobicContact CD2-CB 4.27Å; L16-F45 HydrophobicContact CD2-CD1 3.63Å; L16-F45 HydrophobicContact CD2-CE1 4.44Å; L16-F45 HydrophobicContact CD2-CG 4.33Å; L16-Y46 HydrophobicContact CD1-CD2 4.11Å; L16-Y46 HydrophobicContact CD1-CG 4.39Å; L16-F65 HydrophobicContact CD1-CE2 3.99Å; L16-F65 HydrophobicContact CD1-CZ 3.88Å
17	C	89.6	Confident	85.6	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-39.3	177.7	-67.2	0	0	0	0	110.9	L13 D14 D15 R19 I21 L22	L13-C17 VanDerWaalsContact O-CB 3.26Å; L13-C17 WeakPolarHBondContact O-CB 3.5Å; L13-C17 PolarHBondContact O-N 3.18Å; L13-C17 PolarHBondContact O-SG 3.43Å; D14-C17 PolarHBondContact O-N 3.47Å; D15-C17 PolarHBondContact O-N 3.19Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 2.69Å; C17-I21 HydrophobicContact CB-CB 4.29Å; C17-I21 HydrophobicContact CB-CG1 4.44Å; C17-I21 CarbonylContact O-C 3.41Å; C17-I21 WeakPolarHBondContact O-CA 3.49Å; C17-I21 VanDerWaalsContact O-CB 3.3Å; C17-I21 WeakPolarHBondContact O-CB 3.47Å; C17-I21 PolarHBondContact O-N 2.98Å; C17-L22 PolarHBondContact O-N 3.18Å
18	S	88.6	Confident	85.5	Confident	46 Å²	46	54.1 Å²	54.1	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-40.3	175.9	76.4	0	0	0	0	112.7	D14 D15 L16 H23	D14-S18 WeakPolarHBondContact O-CB 3.45Å; D14-S18 PolarHBondContact O-N 3.22Å; D14-S18 PolarHBondContact O-OG 3.04Å; D15-S18 PolarHBondContact O-N 3.21Å; D15-S18 PolarHBondContact O-OG 3.47Å; L16-S18 VanDerWaalsContact C-N 3.34Å; S18-H23 PolarHBondContact O-CD2 3.49Å
19	R	88.4	Confident	85.3	Confident	114 Å²	114	57.5 Å²	57.5	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-73	-44.7	-178.8	-70	172.3	-170.7	-79.7	-12.4	113.5	D15 L16 C17	D15-R19 VanDerWaalsContact O-CG 3.32Å; D15-R19 WeakPolarHBondContact O-CG 3.41Å; D15-R19 PolarHBondContact O-N 3.05Å; D15-R19 IonicContact OD1-CZ 3.5Å; D15-R19 IonicContact OD1-NE 3.14Å; D15-R19 PolarHBondContact OD1-NE 2.95Å; D15-R19 IonicContact OD1-NH2 3.59Å; D15-R19 PolarHBondContact OD1-NH2 3.32Å; D15-R19 IonicContact OD2-CZ 3.62Å; D15-R19 IonicContact OD2-NE 3.81Å; D15-R19 PolarHBondContact OD2-NE 3.41Å; D15-R19 IonicContact OD2-NH2 2.78Å; L16-R19 PolarHBondContact O-N 3.4Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 2.69Å
20	F	89	Confident	85	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-112.3	-19.8	-165.3	-62.3	-75.4	0	0	0	114	L16 I24 L41 A42 F45 F391	L16-F20 HydrophobicContact CD2-CD2 4.26Å; L16-F20 HydrophobicContact CD2-CE2 4.02Å; L16-F20 WeakPolarHBondContact O-CD2 3.25Å; L16-F20 PolarHBondContact O-N 3.42Å; F20-I24 WeakPolarHBondContact O-CG1 3.25Å; F20-L41 HydrophobicContact CD1-CB 4.16Å; F20-L41 HydrophobicContact CE1-CB 4.35Å; F20-A42 HydrophobicContact CB-CB 4.01Å; F20-A42 HydrophobicContact CD2-CB 3.66Å; F20-A42 HydrophobicContact CE2-CB 4.41Å; F20-A42 HydrophobicContact CG-CB 3.93Å; F20-F45 HydrophobicContact CE2-CB 3.73Å; F20-F45 HydrophobicContact CE2-CD1 4.19Å; F20-F45 HydrophobicContact CE2-CD2 4.19Å; F20-F45 AromaticContact CE2-CG 3.78Å; F20-F45 HydrophobicContact CE2-CG 3.78Å; F20-F45 HydrophobicContact CZ-CB 3.7Å; F20-F45 AromaticContact CZ-CD2 3.76Å; F20-F45 HydrophobicContact CZ-CD2 3.76Å; F20-F45 AromaticContact CZ-CG 3.76Å; F20-F45 HydrophobicContact CZ-CG 3.76Å; F20-F391 AromaticContact CE1-CE1 3.83Å; F20-F391 HydrophobicContact CE1-CE1 3.83Å; F20-F391 AromaticContact CE1-CZ 3.81Å; F20-F391 HydrophobicContact CE1-CZ 3.81Å; F20-F391 HydrophobicContact CZ-CE1 4.41Å
21	I	86.8	Confident	84.8	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.015	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-44.6	-166	-53	-63.2	0	0	0	112.8	C17 H23 I24 Q38 I39 L76	C17-I21 HydrophobicContact CB-CB 4.29Å; C17-I21 HydrophobicContact CB-CG1 4.44Å; C17-I21 CarbonylContact O-C 3.41Å; C17-I21 WeakPolarHBondContact O-CA 3.49Å; C17-I21 VanDerWaalsContact O-CB 3.3Å; C17-I21 WeakPolarHBondContact O-CB 3.47Å; C17-I21 PolarHBondContact O-N 2.98Å; I21-H23 VanDerWaalsContact C-N 3.25Å; I21-H23 PolarHBondContact O-N 2.94Å; I21-I24 HydrophobicContact CB-CD1 4.43Å; I21-I24 HydrophobicContact CD1-CD1 4.22Å; I21-I24 HydrophobicContact CG2-CD1 4.21Å; I21-I24 WeakPolarHBondContact O-CD1 3.48Å; I21-I24 WeakPolarHBondContact O-CG1 3.15Å; I21-I24 PolarHBondContact O-N 3.21Å; I21-Q38 HydrophobicContact CD1-CB 3.76Å; I21-I39 HydrophobicContact CD1-CG1 3.91Å; I21-L76 HydrophobicContact CG2-CD1 3.76Å; I21-L76 HydrophobicContact CG2-CD2 3.59Å; I21-L76 HydrophobicContact CG2-CG 4.21Å
22	L	83.4	Confident	84.8	Confident	100 Å²	100	56.4 Å²	56.4	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26	-173.6	-69.2	-175.1	0	0	0	113.8	C17 F75	C17-L22 PolarHBondContact O-N 3.18Å; L22-F75 HydrophobicContact CD2-CE1 4.43Å; L22-F75 HydrophobicContact CD2-CZ 3.88Å
23	H	80.7	Confident	84.8	Confident	137 Å²	137	56.7 Å²	56.7	63%	0.634	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	7.8	-177.3	-62.5	-60.8	0	0	0	113.8	S18 I21	S18-H23 PolarHBondContact O-CD2 3.49Å; I21-H23 VanDerWaalsContact C-N 3.25Å; I21-H23 PolarHBondContact O-N 2.94Å
24	I	81.4	Confident	84.5	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.051	29%	0.291	C	S	.	.			trans	-63.1	126.9	175.7	-60.3	169.5	0	0	0	108.8	F20 I21 E28 R29 Q38	F20-I24 WeakPolarHBondContact O-CG1 3.25Å; I21-I24 HydrophobicContact CB-CD1 4.43Å; I21-I24 HydrophobicContact CD1-CD1 4.22Å; I21-I24 HydrophobicContact CG2-CD1 4.21Å; I21-I24 WeakPolarHBondContact O-CD1 3.48Å; I21-I24 WeakPolarHBondContact O-CG1 3.15Å; I21-I24 PolarHBondContact O-N 3.21Å; I24-E28 HydrophobicContact CG2-CB 3.54Å; I24-R29 HydrophobicContact CB-CB 4.37Å; I24-R29 HydrophobicContact CG2-CB 3.93Å; I24-Q38 HydrophobicContact CD1-CB 3.91Å; I24-Q38 HydrophobicContact CD1-CG 3.62Å; I24-Q38 HydrophobicContact CG1-CG 3.94Å
25	P	83.3	Confident	84.5	Confident	60 Å²	60	52.8 Å²	52.8	39%	0.39	27%	0.269	S	S	.	.			trans	-53.2	144.6	172.9	-24.7	33.8	0	0	0	111.3	E27 E28 R29 A386	P25-E27 PolarHBondContact O-N 2.94Å; P25-E27 VanDerWaalsContact O-N 3.13Å; P25-E28 PolarHBondContact O-N 3.13Å; P25-R29 PolarHBondContact O-N 3Å; P25-A386 HydrophobicContact CG-CB 4.35Å
26	S	78.3	Confident	84.6	Confident	65 Å²	65	50.2 Å²	50.2	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-55	-37.4	-176.5	46.9	0	0	0	0	113.1	E28 R29 D30	S26-E28 VanDerWaalsContact C-N 3.28Å; S26-E28 PolarHBondContact O-N 2.95Å; S26-R29 PolarHBondContact O-N 3.35Å; S26-D30 PolarHBondContact O-N 3.41Å; S26-D30 VanDerWaalsContact O-N 3.11Å
27	E	78.2	Confident	84.5	Confident	174 Å²	174	50.3 Å²	50.3	81%	0.813	26%	0.256	S	S	*	.	H	α-helix	trans	-60.3	-35.3	178.9	-59	-179.5	-164.8	0	0	113.1	P25	P25-E27 PolarHBondContact O-N 2.94Å; P25-E27 VanDerWaalsContact O-N 3.13Å
28	E	77.5	Confident	84.6	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-84.8	-38.3	176.6	-73.1	-176.5	-143.8	0	0	111.9	I24 P25 S26 D30 N31 R34 A386	I24-E28 HydrophobicContact CG2-CB 3.54Å; P25-E28 PolarHBondContact O-N 3.13Å; S26-E28 VanDerWaalsContact C-N 3.28Å; S26-E28 PolarHBondContact O-N 2.95Å; E28-D30 PolarHBondContact O-N 2.89Å; E28-N31 PolarHBondContact O-N 2.92Å; E28-R34 HydrophobicContact CB-CB 4.21Å; E28-R34 HydrophobicContact CB-CG 4.29Å; E28-R34 HydrophobicContact CG-CG 4.47Å; E28-R34 WeakPolarHBondContact O-CB 3.36Å; E28-A386 WeakPolarHBondContact OE1-CB 3.38Å
29	R	82.1	Confident	84.7	Confident	89 Å²	89	48.1 Å²	48.1	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-32.2	-177.6	-172.3	-164.7	61.5	-136.2	-12	112	I24 P25 S26 N31 V35 L76	I24-R29 HydrophobicContact CB-CB 4.37Å; I24-R29 HydrophobicContact CG2-CB 3.93Å; P25-R29 PolarHBondContact O-N 3Å; S26-R29 PolarHBondContact O-N 3.35Å; R29-N31 PolarHBondContact O-N 2.89Å; R29-V35 WeakPolarHBondContact O-CG2 3.28Å; R29-L76 HydrophobicContact CG-CD2 4.26Å
30	D	79.8	Confident	84.8	Confident	115 Å²	115	42.9 Å²	42.9	62%	0.615	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.2	179.6	-61.2	-11.9	0	0	0	112.6	S26 E28	S26-D30 PolarHBondContact O-N 3.41Å; S26-D30 VanDerWaalsContact O-N 3.11Å; E28-D30 PolarHBondContact O-N 2.89Å
31	N	83.9	Confident	84.8	Confident	58 Å²	58	43.7 Å²	43.7	31%	0.31	23%	0.225	S	C	.	.			trans	-110.1	107.1	173.1	-176.1	-32.7	0	0	0	110.5	E28 R29 I33 R34 V35	E28-N31 PolarHBondContact O-N 2.92Å; R29-N31 PolarHBondContact O-N 2.89Å; N31-I33 PolarHBondContact O-N 3.42Å; N31-I33 VanDerWaalsContact OD1-CB 3.25Å; N31-I33 WeakPolarHBondContact OD1-CB 3.42Å; N31-I33 PolarHBondContact OD1-N 3.06Å; N31-R34 HydrophobicContact CB-CB 4.16Å; N31-R34 HydrophobicContact CB-CG 3.72Å; N31-R34 WeakPolarHBondContact O-CA 3.45Å; N31-R34 VanDerWaalsContact O-CB 3.25Å; N31-R34 WeakPolarHBondContact O-CB 3.24Å; N31-R34 PolarHBondContact O-N 2.98Å; N31-R34 PolarHBondContact OD1-N 3.33Å; N31-V35 PolarHBondContact O-N 3Å
32	A	85.9	Confident	85	Confident	20 Å²	20	43.6 Å²	43.6	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-30.2	-177.4	0	0	0	0	0	113.7	V35 C36 L77 V86	A32-V35 PolarHBondContact O-N 3.38Å; A32-C36 PolarHBondContact O-N 2.79Å; A32-C36 PolarHBondContact O-SG 2.98Å; A32-L77 HydrophobicContact CB-CD2 4.17Å; A32-V86 HydrophobicContact CB-CG1 3.68Å; A32-V86 HydrophobicContact CB-CG2 4.08Å
33	I	86.4	Confident	85.3	Confident	20 Å²	20	38.9 Å²	38.9	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-37.6	176.5	-50.6	-56	0	0	0	111.2	N31 C36 F37 E89 W90 Y93 F380	N31-I33 PolarHBondContact O-N 3.42Å; N31-I33 VanDerWaalsContact OD1-CB 3.25Å; N31-I33 WeakPolarHBondContact OD1-CB 3.42Å; N31-I33 PolarHBondContact OD1-N 3.06Å; I33-C36 WeakPolarHBondContact O-CB 3.36Å; I33-C36 PolarHBondContact O-N 2.94Å; I33-F37 HydrophobicContact CG2-CE2 4.09Å; I33-F37 WeakPolarHBondContact O-CD2 3.09Å; I33-F37 PolarHBondContact O-N 2.86Å; I33-E89 HydrophobicContact CD1-CB 3.75Å; I33-W90 HydrophobicContact CD1-CB 3.97Å; I33-W90 HydrophobicContact CG2-CB 4.49Å; I33-Y93 HydrophobicContact CG2-CD1 4.18Å; I33-Y93 HydrophobicContact CG2-CG 4.04Å; I33-F380 HydrophobicContact CB-CE2 4.23Å; I33-F380 HydrophobicContact CG2-CE2 4.06Å; I33-F380 HydrophobicContact CG2-CZ 4.16Å
34	R	84.4	Confident	85.5	Confident	14 Å²	14	34.1 Å²	34.1	5%	0.053	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-47	173	-70.8	-78.9	172.4	-134.8	-18.7	111.4	E28 N31 C36 F37 Q38 F380 K381	E28-R34 HydrophobicContact CB-CB 4.21Å; E28-R34 HydrophobicContact CB-CG 4.29Å; E28-R34 HydrophobicContact CG-CG 4.47Å; E28-R34 WeakPolarHBondContact O-CB 3.36Å; N31-R34 HydrophobicContact CB-CB 4.16Å; N31-R34 HydrophobicContact CB-CG 3.72Å; N31-R34 WeakPolarHBondContact O-CA 3.45Å; N31-R34 VanDerWaalsContact O-CB 3.25Å; N31-R34 WeakPolarHBondContact O-CB 3.24Å; N31-R34 PolarHBondContact O-N 2.98Å; N31-R34 PolarHBondContact OD1-N 3.33Å; R34-C36 PolarHBondContact O-N 3.33Å; R34-F37 WeakPolarHBondContact O-CB 3.39Å; R34-F37 PolarHBondContact O-N 3.19Å; R34-Q38 PolarHBondContact O-N 2.87Å; R34-F380 HydrophobicContact CG-CE2 3.99Å; R34-F380 HydrophobicContact CG-CZ 4.44Å; R34-F380 VanDerWaalsContact NH2-C 3.34Å; R34-K381 PolarHBondContact NE-O 2.97Å; R34-K381 PolarHBondContact NH1-O 2.94Å; R34-K381 PolarHBondContact NH2-O 3.21Å
35	V	88.7	Confident	85.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-39.9	177.7	178.1	0	0	0	0	110.1	R29 N31 A32 F37 Q38 I39 F70 L76	R29-V35 WeakPolarHBondContact O-CG2 3.28Å; N31-V35 PolarHBondContact O-N 3Å; A32-V35 PolarHBondContact O-N 3.38Å; V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 PolarHBondContact O-N 2.87Å; V35-Q38 WeakPolarHBondContact O-CB 3.45Å; V35-Q38 PolarHBondContact O-N 3.33Å; V35-Q38 VanDerWaalsContact O-N 3.07Å; V35-I39 HydrophobicContact CG1-CD1 3.94Å; V35-I39 HydrophobicContact CG1-CG1 4.29Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.15Å; V35-F70 HydrophobicContact CG1-CE1 4.12Å; V35-F70 HydrophobicContact CG1-CZ 4.4Å; V35-L76 HydrophobicContact CG1-CB 4.42Å; V35-L76 HydrophobicContact CG1-CD1 3.98Å; V35-L76 HydrophobicContact CG1-CD2 4.04Å; V35-L76 HydrophobicContact CG1-CG 4.37Å; V35-L76 HydrophobicContact CG2-CD2 4.5Å
36	C	91.1	Very high	86	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-32.9	175.7	-69.8	0	0	0	0	114.2	A32 I33 R34 I39 E40 W90	A32-C36 PolarHBondContact O-N 2.79Å; A32-C36 PolarHBondContact O-SG 2.98Å; I33-C36 WeakPolarHBondContact O-CB 3.36Å; I33-C36 PolarHBondContact O-N 2.94Å; R34-C36 PolarHBondContact O-N 3.33Å; C36-I39 PolarHBondContact O-N 2.94Å; C36-E40 PolarHBondContact O-N 3.26Å; C36-W90 HydrophobicContact CB-CB 4.18Å; C36-W90 HydrophobicContact CB-CD2 3.33Å; C36-W90 HydrophobicContact CB-CE3 3.7Å; C36-W90 HydrophobicContact CB-CG 3.54Å; C36-W90 HydrophobicContact CB-CH2 4.43Å; C36-W90 HydrophobicContact CB-CZ2 4.12Å; C36-W90 HydrophobicContact CB-CZ3 4.23Å; C36-W90 WeakPolarHBondContact O-CZ2 3.36Å
37	F	88.1	Confident	86.3	Confident	5 Å²	5	31 Å²	31	2%	0.022	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-37.5	173.5	-74.2	-68.5	0	0	0	112.5	I33 R34 V35 E40 L41 W90 Y93 K94 L344 F380 F382	I33-F37 HydrophobicContact CG2-CE2 4.09Å; I33-F37 WeakPolarHBondContact O-CD2 3.09Å; I33-F37 PolarHBondContact O-N 2.86Å; R34-F37 WeakPolarHBondContact O-CB 3.39Å; R34-F37 PolarHBondContact O-N 3.19Å; V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 PolarHBondContact O-N 2.87Å; F37-E40 WeakPolarHBondContact O-CB 3.34Å; F37-E40 PolarHBondContact O-N 3.29Å; F37-L41 PolarHBondContact O-N 2.75Å; F37-L41 VanDerWaalsContact O-N 3.17Å; F37-W90 HydrophobicContact CD1-CZ2 4.5Å; F37-W90 AromaticContact CD1-NE1 3.75Å; F37-W90 AromaticContact CD2-NE1 3.94Å; F37-W90 AromaticContact CE1-NE1 3.53Å; F37-W90 AromaticContact CE2-CD1 3.98Å; F37-W90 AromaticContact CE2-NE1 3.7Å; F37-W90 AromaticContact CG-NE1 3.96Å; F37-W90 AromaticContact CZ-CD1 3.98Å; F37-W90 AromaticContact CZ-NE1 3.49Å; F37-Y93 AromaticContact CE2-CD1 3.9Å; F37-Y93 HydrophobicContact CE2-CD1 3.9Å; F37-Y93 AromaticContact CE2-CE1 3.76Å; F37-Y93 HydrophobicContact CE2-CE1 3.76Å; F37-Y93 AromaticContact CZ-CD1 3.66Å; F37-Y93 HydrophobicContact CZ-CD1 3.66Å; F37-Y93 AromaticContact CZ-CE1 3.54Å; F37-Y93 HydrophobicContact CZ-CE1 3.54Å; F37-K94 HydrophobicContact CE1-CD 3.95Å; F37-K94 HydrophobicContact CE1-CG 3.9Å; F37-K94 HydrophobicContact CZ-CD 4.38Å; F37-K94 HydrophobicContact CZ-CG 3.87Å; F37-L344 HydrophobicContact CD1-CD1 4.31Å; F37-L344 HydrophobicContact CD1-CD2 3.49Å; F37-L344 VanDerWaalsContact CD1-CD2 3.49Å; F37-L344 HydrophobicContact CE1-CD1 3.97Å; F37-L344 HydrophobicContact CE1-CD2 3.75Å; F37-L344 HydrophobicContact CE1-CG 4.42Å; F37-F380 HydrophobicContact CD2-CZ 4.2Å; F37-F380 HydrophobicContact CE2-CE1 4.2Å; F37-F380 AromaticContact CE2-CZ 3.75Å; F37-F380 HydrophobicContact CE2-CZ 3.75Å; F37-F382 HydrophobicContact CB-CE2 4.09Å; F37-F382 HydrophobicContact CD1-CE2 4.14Å; F37-F382 HydrophobicContact CD2-CD2 4.45Å; F37-F382 HydrophobicContact CD2-CE2 4.35Å; F37-F382 HydrophobicContact CG-CD2 4.48Å; F37-F382 AromaticContact CG-CE2 3.93Å; F37-F382 HydrophobicContact CG-CE2 3.93Å
38	Q	89.9	Confident	86.4	Confident	4 Å²	4	23 Å²	23	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-39	174.3	-60	-68.1	-4.3	0	0	111.8	I21 I24 R34 V35 E40 L41 A42	I21-Q38 HydrophobicContact CD1-CB 3.76Å; I24-Q38 HydrophobicContact CD1-CB 3.91Å; I24-Q38 HydrophobicContact CD1-CG 3.62Å; I24-Q38 HydrophobicContact CG1-CG 3.94Å; R34-Q38 PolarHBondContact O-N 2.87Å; V35-Q38 WeakPolarHBondContact O-CB 3.45Å; V35-Q38 PolarHBondContact O-N 3.33Å; V35-Q38 VanDerWaalsContact O-N 3.07Å; Q38-E40 VanDerWaalsContact C-N 3.26Å; Q38-E40 PolarHBondContact O-N 2.87Å; Q38-L41 PolarHBondContact O-N 3.4Å; Q38-A42 PolarHBondContact O-N 3.13Å
39	I	92.1	Very high	86.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-38.3	172.7	-68.6	173.7	0	0	0	110.8	I21 V35 C36 A42 H43 I62 F65 A66 V69 F70	I21-I39 HydrophobicContact CD1-CG1 3.91Å; V35-I39 HydrophobicContact CG1-CD1 3.94Å; V35-I39 HydrophobicContact CG1-CG1 4.29Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.15Å; C36-I39 PolarHBondContact O-N 2.94Å; I39-A42 PolarHBondContact O-N 3.39Å; I39-H43 WeakPolarHBondContact O-CB 3.34Å; I39-H43 PolarHBondContact O-N 3.02Å; I39-I62 HydrophobicContact CG2-CD1 4.39Å; I39-F65 HydrophobicContact CG2-CD1 3.85Å; I39-F65 HydrophobicContact CG2-CE1 4.01Å; I39-F65 WeakPolarHBondContact O-CE1 3.49Å; I39-A66 HydrophobicContact CG2-CB 3.7Å; I39-V69 HydrophobicContact CD1-CB 4.32Å; I39-V69 HydrophobicContact CD1-CG1 4.02Å; I39-V69 HydrophobicContact CG1-CB 4.39Å; I39-V69 HydrophobicContact CG1-CG1 3.94Å; I39-F70 HydrophobicContact CD1-CD1 4.46Å; I39-F70 HydrophobicContact CD1-CD2 4.13Å; I39-F70 HydrophobicContact CD1-CE1 4.01Å; I39-F70 HydrophobicContact CD1-CE2 3.64Å; I39-F70 HydrophobicContact CD1-CZ 3.58Å
40	E	90.6	Very high	86.7	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-44.4	174.8	-176.5	163	-114.7	0	0	112.2	C36 F37 Q38 A42 H43 W44 I62 W90 K94	C36-E40 PolarHBondContact O-N 3.26Å; F37-E40 WeakPolarHBondContact O-CB 3.34Å; F37-E40 PolarHBondContact O-N 3.29Å; Q38-E40 VanDerWaalsContact C-N 3.26Å; Q38-E40 PolarHBondContact O-N 2.87Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 3.05Å; E40-H43 WeakPolarHBondContact O-CB 3.24Å; E40-H43 PolarHBondContact O-N 2.79Å; E40-W44 PolarHBondContact O-N 3.26Å; E40-I62 HydrophobicContact CB-CD1 4.28Å; E40-W90 HydrophobicContact CB-CH2 3.89Å; E40-W90 HydrophobicContact CB-CZ2 3.9Å; E40-W90 HydrophobicContact CG-CH2 4.4Å; E40-W90 HydrophobicContact CG-CZ2 4.45Å; E40-K94 IonicContact OE1-NZ 2.75Å; E40-K94 PolarHBondContact OE1-NZ 2.87Å; E40-K94 IonicContact OE2-NZ 2.94Å; E40-K94 PolarHBondContact OE2-NZ 3.27Å
41	L	87.5	Confident	86.7	Confident	23 Å²	23	18.9 Å²	18.9	12%	0.12	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-43.2	174.9	-65.8	174.3	0	0	0	111.8	F20 F37 Q38 H43 W44 F45 I387 F391	F20-L41 HydrophobicContact CD1-CB 4.16Å; F20-L41 HydrophobicContact CE1-CB 4.35Å; F37-L41 PolarHBondContact O-N 2.75Å; F37-L41 VanDerWaalsContact O-N 3.17Å; Q38-L41 PolarHBondContact O-N 3.4Å; L41-H43 VanDerWaalsContact C-N 3.32Å; L41-H43 PolarHBondContact O-N 2.87Å; L41-W44 PolarHBondContact O-N 2.83Å; L41-F45 PolarHBondContact O-N 3.5Å; L41-I387 HydrophobicContact CD1-CG2 3.39Å; L41-F391 HydrophobicContact CD1-CE2 4.45Å; L41-F391 HydrophobicContact CD1-CZ 4.45Å
42	A	90.7	Very high	86.2	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174.7	0	0	0	0	0	111.9	L16 F20 Q38 I39 E40 F45 Y46 F65	L16-A42 HydrophobicContact CB-CB 4.48Å; L16-A42 HydrophobicContact CD2-CB 4.46Å; F20-A42 HydrophobicContact CB-CB 4.01Å; F20-A42 HydrophobicContact CD2-CB 3.66Å; F20-A42 HydrophobicContact CE2-CB 4.41Å; F20-A42 HydrophobicContact CG-CB 3.93Å; Q38-A42 PolarHBondContact O-N 3.13Å; I39-A42 PolarHBondContact O-N 3.39Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 3.05Å; A42-F45 PolarHBondContact O-N 3.23Å; A42-Y46 WeakPolarHBondContact O-CB 3.3Å; A42-Y46 PolarHBondContact O-N 3.18Å; A42-F65 HydrophobicContact CB-CE1 4.07Å; A42-F65 HydrophobicContact CB-CZ 4.13Å
43	H	90.6	Very high	85.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-43.2	176.5	-175.7	-135.7	0	0	0	111.5	I39 E40 L41 Y46 L47 C60 I62 F65	I39-H43 WeakPolarHBondContact O-CB 3.34Å; I39-H43 PolarHBondContact O-N 3.02Å; E40-H43 WeakPolarHBondContact O-CB 3.24Å; E40-H43 PolarHBondContact O-N 2.79Å; L41-H43 VanDerWaalsContact C-N 3.32Å; L41-H43 PolarHBondContact O-N 2.87Å; H43-Y46 WeakPolarHBondContact O-CB 3.12Å; H43-Y46 PolarHBondContact O-N 3.21Å; H43-L47 WeakPolarHBondContact O-CG 3Å; H43-L47 PolarHBondContact O-N 2.94Å; H43-C60 PolarHBondContact CE1-O 3.07Å; H43-C60 PolarHBondContact NE2-O 3.45Å; H43-I62 HydrophobicContact CB-CD1 3.64Å; H43-I62 PolarHBondContact CE1-N 3.01Å; H43-I62 VanDerWaalsContact CE1-N 3.34Å; H43-F65 HydrophobicContact CB-CD1 3.53Å; H43-F65 HydrophobicContact CB-CD2 4.46Å; H43-F65 HydrophobicContact CB-CE1 3.71Å; H43-F65 HydrophobicContact CB-CG 3.94Å; H43-F65 HydrophobicContact CB-CZ 4.27Å; H43-F65 AromaticContact CD2-CD1 3.96Å; H43-F65 AromaticContact CD2-CD2 3.56Å; H43-F65 AromaticContact CD2-CG 3.4Å; H43-F65 WeakPolarHBondContact CD2-CG 3.35Å; H43-F65 AromaticContact CG-CD1 3.97Å; H43-F65 AromaticContact CG-CG 3.87Å
44	W	84.6	Confident	84.8	Confident	37 Å²	37	28.7 Å²	28.7	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-42.8	175.3	-78.7	122	0	0	0	112.5	E40 L41 Y46 L47 D48 L119 M347	E40-W44 PolarHBondContact O-N 3.26Å; L41-W44 PolarHBondContact O-N 2.83Å; W44-Y46 VanDerWaalsContact C-N 3.3Å; W44-Y46 PolarHBondContact O-N 2.95Å; W44-L47 HydrophobicContact CE3-CD1 4.18Å; W44-L47 HydrophobicContact CZ3-CD1 4.24Å; W44-L47 PolarHBondContact O-N 2.82Å; W44-D48 WeakPolarHBondContact O-CB 3.15Å; W44-D48 PolarHBondContact O-N 2.91Å; W44-D48 VanDerWaalsContact O-N 3.08Å; W44-L119 HydrophobicContact CH2-CD1 4.08Å; W44-M347 HydrophobicContact CD2-SD 4.46Å; W44-M347 HydrophobicContact CH2-CE 3.75Å; W44-M347 HydrophobicContact CH2-CG 4.48Å; W44-M347 HydrophobicContact CH2-SD 3.94Å; W44-M347 HydrophobicContact CZ2-CE 3.81Å; W44-M347 HydrophobicContact CZ2-CG 3.78Å; W44-M347 HydrophobicContact CZ2-SD 3.33Å; W44-M347 WeakPolarHBondContact CZ2-SD 3.21Å; W44-M347 HydrophobicContact CZ3-CE 4.33Å
45	F	87.6	Confident	84.1	Confident	45 Å²	45	34.1 Å²	34.1	20%	0.197	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-42.5	174.2	-170	-85.1	0	0	0	111.2	L16 F20 L41 A42 D48 F49	L16-F45 HydrophobicContact CD2-CB 4.27Å; L16-F45 HydrophobicContact CD2-CD1 3.63Å; L16-F45 HydrophobicContact CD2-CE1 4.44Å; L16-F45 HydrophobicContact CD2-CG 4.33Å; F20-F45 HydrophobicContact CE2-CB 3.73Å; F20-F45 HydrophobicContact CE2-CD1 4.19Å; F20-F45 HydrophobicContact CE2-CD2 4.19Å; F20-F45 AromaticContact CE2-CG 3.78Å; F20-F45 HydrophobicContact CE2-CG 3.78Å; F20-F45 HydrophobicContact CZ-CB 3.7Å; F20-F45 AromaticContact CZ-CD2 3.76Å; F20-F45 HydrophobicContact CZ-CD2 3.76Å; F20-F45 AromaticContact CZ-CG 3.76Å; F20-F45 HydrophobicContact CZ-CG 3.76Å; L41-F45 PolarHBondContact O-N 3.5Å; A42-F45 PolarHBondContact O-N 3.23Å; F45-D48 PolarHBondContact O-N 2.78Å; F45-F49 HydrophobicContact CD1-CB 4.35Å; F45-F49 HydrophobicContact CD1-CD2 4.27Å; F45-F49 AromaticContact CD2-CD2 3.52Å; F45-F49 HydrophobicContact CD2-CD2 3.52Å; F45-F49 AromaticContact CD2-CE2 3.88Å; F45-F49 HydrophobicContact CD2-CE2 3.88Å; F45-F49 HydrophobicContact CD2-CG 4.48Å; F45-F49 HydrophobicContact CE1-CB 4.07Å; F45-F49 HydrophobicContact CE1-CD2 4.38Å; F45-F49 AromaticContact CE2-CD2 3.64Å; F45-F49 HydrophobicContact CE2-CD2 3.64Å; F45-F49 HydrophobicContact CE2-CE2 4.05Å; F45-F49 HydrophobicContact CE2-CG 4.25Å; F45-F49 AromaticContact CG-CD2 3.86Å; F45-F49 HydrophobicContact CG-CD2 3.86Å; F45-F49 HydrophobicContact CZ-CB 4.21Å; F45-F49 HydrophobicContact CZ-CD2 4.09Å; F45-F49 HydrophobicContact CZ-CG 4.3Å; F45-F49 PolarHBondContact O-N 3.34Å
46	Y	88.1	Confident	83.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-58.2	-49.4	175.2	172.1	-104.1	0	0	0	112.5	I8 V12 L16 A42 H43 W44 D48 C50 I51 A57 P58 F65	I8-Y46 HydrophobicContact CG2-CE2 3.98Å; V12-Y46 HydrophobicContact CG1-CD2 3.79Å; V12-Y46 HydrophobicContact CG1-CE2 4Å; L16-Y46 HydrophobicContact CD1-CD2 4.11Å; L16-Y46 HydrophobicContact CD1-CG 4.39Å; A42-Y46 WeakPolarHBondContact O-CB 3.3Å; A42-Y46 PolarHBondContact O-N 3.18Å; H43-Y46 WeakPolarHBondContact O-CB 3.12Å; H43-Y46 PolarHBondContact O-N 3.21Å; W44-Y46 VanDerWaalsContact C-N 3.3Å; W44-Y46 PolarHBondContact O-N 2.95Å; Y46-D48 VanDerWaalsContact C-N 3.28Å; Y46-D48 PolarHBondContact O-N 3.07Å; Y46-C50 HydrophobicContact CD2-CB 3.53Å; Y46-C50 HydrophobicContact CE2-CB 4.11Å; Y46-C50 HydrophobicContact CG-CB 4.33Å; Y46-C50 WeakPolarHBondContact O-CB 3.15Å; Y46-C50 PolarHBondContact O-N 2.87Å; Y46-C50 VanDerWaalsContact O-N 3.15Å; Y46-I51 HydrophobicContact CD1-CD1 4.18Å; Y46-I51 HydrophobicContact CD1-CG1 4.22Å; Y46-I51 HydrophobicContact CE1-CD1 3.66Å; Y46-I51 HydrophobicContact CE1-CG1 3.75Å; Y46-I51 HydrophobicContact CE2-CG1 4.18Å; Y46-I51 PolarHBondContact O-N 3.11Å; Y46-A57 HydrophobicContact CE2-CB 4.39Å; Y46-A57 WeakPolarHBondContact OH-CB 3.42Å; Y46-P58 WeakPolarHBondContact CE1-O 3.44Å; Y46-P58 WeakPolarHBondContact OH-CD 3.3Å; Y46-P58 PolarHBondContact OH-O 3.28Å; Y46-F65 HydrophobicContact CD1-CD2 4.1Å; Y46-F65 HydrophobicContact CD1-CE2 4.04Å; Y46-F65 HydrophobicContact CD2-CE2 4.42Å; Y46-F65 HydrophobicContact CG-CD2 4.36Å; Y46-F65 AromaticContact CG-CE2 3.84Å; Y46-F65 HydrophobicContact CG-CE2 3.84Å
47	L	84.6	Confident	82.3	Confident	26 Å²	26	38 Å²	38	14%	0.136	22%	0.216	C	C	.	.	I	π-helix	trans	-65	-30.4	-179.7	-70.2	-178.6	0	0	0	113.4	H43 W44 I51 Q59 K192	H43-L47 WeakPolarHBondContact O-CG 3Å; H43-L47 PolarHBondContact O-N 2.94Å; W44-L47 HydrophobicContact CE3-CD1 4.18Å; W44-L47 HydrophobicContact CZ3-CD1 4.24Å; W44-L47 PolarHBondContact O-N 2.82Å; L47-I51 HydrophobicContact CD2-CD1 3.59Å; L47-Q59 HydrophobicContact CD2-CG 4.42Å; L47-K192 PolarHBondContact O-NZ 3.07Å
48	D	80.8	Confident	81.9	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.032	22%	0.223	C	C	.	.	I	π-helix	trans	-92.8	-38.9	-175.7	-79.3	-19	0	0	0	114.3	W44 F45 Y46 Q52 K192 R342	W44-D48 WeakPolarHBondContact O-CB 3.15Å; W44-D48 PolarHBondContact O-N 2.91Å; W44-D48 VanDerWaalsContact O-N 3.08Å; F45-D48 PolarHBondContact O-N 2.78Å; Y46-D48 VanDerWaalsContact C-N 3.28Å; Y46-D48 PolarHBondContact O-N 3.07Å; D48-Q52 WeakPolarHBondContact O-CG 3.49Å; D48-Q52 PolarHBondContact O-NE2 2.72Å; D48-K192 WeakPolarHBondContact OD1-CD 3.45Å; D48-K192 WeakPolarHBondContact OD1-CE 3.4Å; D48-K192 IonicContact OD1-NZ 2.69Å; D48-K192 PolarHBondContact OD1-NZ 3.14Å; D48-R342 IonicContact OD2-CZ 2.79Å; D48-R342 IonicContact OD2-NH1 2.82Å; D48-R342 PolarHBondContact OD2-NH1 3.09Å; D48-R342 IonicContact OD2-NH2 3.59Å; D48-R342 PolarHBondContact OD2-NH2 3.22Å
49	F	83.8	Confident	81.5	Confident	74 Å²	74	46.9 Å²	46.9	33%	0.325	26%	0.26	S	S	.	.	I	π-helix	trans	-114.3	-44.5	-171.2	-58	-76	0	0	0	111.9	F45 N53	F45-F49 HydrophobicContact CD1-CB 4.35Å; F45-F49 HydrophobicContact CD1-CD2 4.27Å; F45-F49 AromaticContact CD2-CD2 3.52Å; F45-F49 HydrophobicContact CD2-CD2 3.52Å; F45-F49 AromaticContact CD2-CE2 3.88Å; F45-F49 HydrophobicContact CD2-CE2 3.88Å; F45-F49 HydrophobicContact CD2-CG 4.48Å; F45-F49 HydrophobicContact CE1-CB 4.07Å; F45-F49 HydrophobicContact CE1-CD2 4.38Å; F45-F49 AromaticContact CE2-CD2 3.64Å; F45-F49 HydrophobicContact CE2-CD2 3.64Å; F45-F49 HydrophobicContact CE2-CE2 4.05Å; F45-F49 HydrophobicContact CE2-CG 4.25Å; F45-F49 AromaticContact CG-CD2 3.86Å; F45-F49 HydrophobicContact CG-CD2 3.86Å; F45-F49 HydrophobicContact CZ-CB 4.21Å; F45-F49 HydrophobicContact CZ-CD2 4.09Å; F45-F49 HydrophobicContact CZ-CG 4.3Å; F45-F49 PolarHBondContact O-N 3.34Å; F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 2.9Å; F49-N53 VanDerWaalsContact O-ND2 3.08Å
50	C	81.6	Confident	81.1	Confident	12 Å²	12	47.9 Å²	47.9	8%	0.081	27%	0.267	C	S	.	.	I	π-helix	trans	-73.4	-44	-174.3	-55.8	0	0	0	0	112.6	V12 Y46 Q52 N53 T54	V12-C50 HydrophobicContact CG1-CB 4.01Å; Y46-C50 HydrophobicContact CD2-CB 3.53Å; Y46-C50 HydrophobicContact CE2-CB 4.11Å; Y46-C50 HydrophobicContact CG-CB 4.33Å; Y46-C50 WeakPolarHBondContact O-CB 3.15Å; Y46-C50 PolarHBondContact O-N 2.87Å; Y46-C50 VanDerWaalsContact O-N 3.15Å; C50-Q52 VanDerWaalsContact C-N 3.29Å; C50-Q52 PolarHBondContact O-N 2.88Å; C50-N53 PolarHBondContact O-N 3.09Å; C50-T54 VanDerWaalsContact O-CB 3.29Å; C50-T54 WeakPolarHBondContact O-CB 3.33Å; C50-T54 PolarHBondContact O-N 3.18Å; C50-T54 PolarHBondContact O-OG1 3.14Å
51	I	80.2	Confident	80.9	Confident	48 Å²	48	49.4 Å²	49.4	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-36.7	179.2	-69.5	-175.6	0	0	0	111.6	Y46 L47 N53 Q59	Y46-I51 HydrophobicContact CD1-CD1 4.18Å; Y46-I51 HydrophobicContact CD1-CG1 4.22Å; Y46-I51 HydrophobicContact CE1-CD1 3.66Å; Y46-I51 HydrophobicContact CE1-CG1 3.75Å; Y46-I51 HydrophobicContact CE2-CG1 4.18Å; Y46-I51 PolarHBondContact O-N 3.11Å; L47-I51 HydrophobicContact CD2-CD1 3.59Å; I51-N53 VanDerWaalsContact C-N 3.31Å; I51-N53 PolarHBondContact O-N 3.1Å; I51-Q59 HydrophobicContact CD1-CB 4.34Å; I51-Q59 HydrophobicContact CD1-CG 4.37Å
52	Q	73.6	Confident	80.9	Confident	133 Å²	133	48.7 Å²	48.7	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-68.6	-34	179.6	-62.3	-171.8	28.8	0	0	111.9	D48 C50	D48-Q52 WeakPolarHBondContact O-CG 3.49Å; D48-Q52 PolarHBondContact O-NE2 2.72Å; C50-Q52 VanDerWaalsContact C-N 3.29Å; C50-Q52 PolarHBondContact O-N 2.88Å
53	N	70	Confident	80.9	Confident	127 Å²	127	52.7 Å²	52.7	68%	0.679	30%	0.295	S	S	*	.	H	α-helix	trans	-95.4	-9.8	-174.2	-65.2	-26.2	0	0	0	113.7	F49 C50 I51	F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 2.9Å; F49-N53 VanDerWaalsContact O-ND2 3.08Å; C50-N53 PolarHBondContact O-N 3.09Å; I51-N53 VanDerWaalsContact C-N 3.31Å; I51-N53 PolarHBondContact O-N 3.1Å
54	T	71.9	Confident	80.8	Confident	43 Å²	43	56.7 Å²	56.7	26%	0.264	32%	0.317	S	S	.	.	S	Bend	trans	-123.7	90.7	-175.6	-45.7	0	0	0	0	110.9	C50 G56 A57	C50-T54 VanDerWaalsContact O-CB 3.29Å; C50-T54 WeakPolarHBondContact O-CB 3.33Å; C50-T54 PolarHBondContact O-N 3.18Å; C50-T54 PolarHBondContact O-OG1 3.14Å; T54-G56 PolarHBondContact O-N 3.04Å; T54-A57 HydrophobicContact CG2-CB 4.18Å; T54-A57 WeakPolarHBondContact O-CB 3.21Å; T54-A57 PolarHBondContact O-N 2.92Å; T54-A57 VanDerWaalsContact O-N 3.15Å
55	P	69.7	Low	81.2	Confident	128 Å²	128	55 Å²	55	83%	0.831	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	121.8	176.8	-22.6	32.8	0	0	0	111.1
56	G	69.8	Low	81.4	Confident	65 Å²	65	52.8 Å²	52.8	67%	0.67	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-3.6	179.7	0	0	0	0	0	115.3	V6 T54	V6-G56 WeakPolarHBondContact CG1-O 3.42Å; T54-G56 PolarHBondContact O-N 3.04Å
57	A	72.6	Confident	81.5	Confident	16 Å²	16	56.5 Å²	56.5	13%	0.132	32%	0.317	C	S	.	.			trans	-64.5	137.7	172.6	0	0	0	0	0	111.3	Y46 T54	Y46-A57 HydrophobicContact CE2-CB 4.39Å; Y46-A57 WeakPolarHBondContact OH-CB 3.42Å; T54-A57 HydrophobicContact CG2-CB 4.18Å; T54-A57 WeakPolarHBondContact O-CB 3.21Å; T54-A57 PolarHBondContact O-N 2.92Å; T54-A57 VanDerWaalsContact O-N 3.15Å
58	P	80.8	Confident	81.9	Confident	25 Å²	25	56.7 Å²	56.7	16%	0.162	32%	0.322	C	S	.	.			trans	-74.1	131.6	-175	30.5	-36.3	0	0	0	111.9	V6 I8 Y46 C60	V6-P58 HydrophobicContact CB-CB 4.25Å; V6-P58 HydrophobicContact CG1-CB 4.47Å; V6-P58 WeakPolarHBondContact O-CB 3.37Å; V6-P58 VanDerWaalsContact O-CG 3.22Å; V6-P58 WeakPolarHBondContact O-CG 2.73Å; I8-P58 HydrophobicContact CG1-CG 3.87Å; Y46-P58 WeakPolarHBondContact CE1-O 3.44Å; Y46-P58 WeakPolarHBondContact OH-CD 3.3Å; Y46-P58 PolarHBondContact OH-O 3.28Å; P58-C60 PolarHBondContact O-N 2.82Å; P58-C60 VanDerWaalsContact O-N 3.13Å
59	Q	80.6	Confident	82.4	Confident	172 Å²	172	56.6 Å²	56.6	80%	0.804	32%	0.321	S	S	*	.			trans	-75.2	103.2	165.7	-169.8	177.2	10.7	0	0	109.2	L47 I51	L47-Q59 HydrophobicContact CD2-CG 4.42Å; I51-Q59 HydrophobicContact CD1-CB 4.34Å; I51-Q59 HydrophobicContact CD1-CG 4.37Å
60	C	83.3	Confident	82.8	Confident	21 Å²	21	53.3 Å²	53.3	14%	0.142	31%	0.307	C	S	.	.			trans	-112.8	155.1	-178.8	58.1	0	0	0	0	112.1	H43 P58 D64	H43-C60 PolarHBondContact CE1-O 3.07Å; H43-C60 PolarHBondContact NE2-O 3.45Å; P58-C60 PolarHBondContact O-N 2.82Å; P58-C60 VanDerWaalsContact O-N 3.13Å; C60-D64 HydrophobicContact CB-CB 4.17Å
61	G	85.9	Confident	83.2	Confident	36 Å²	36	60.9 Å²	60.9	37%	0.371	34%	0.341	S	S	.	.			trans	-79.4	165	171.2	0	0	0	0	0	111.8	R63 D64 F65	G61-R63 PolarHBondContact O-N 2.99Å; G61-D64 PolarHBondContact O-N 2.84Å; G61-F65 WeakPolarHBondContact O-CB 3.46Å; G61-F65 PolarHBondContact O-N 2.85Å
62	I	88.4	Confident	83.7	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-56.5	-35.5	-176.8	-176.6	58.8	0	0	0	113	I39 E40 H43 F65 A66 W90 M347	I39-I62 HydrophobicContact CG2-CD1 4.39Å; E40-I62 HydrophobicContact CB-CD1 4.28Å; H43-I62 HydrophobicContact CB-CD1 3.64Å; H43-I62 PolarHBondContact CE1-N 3.01Å; H43-I62 VanDerWaalsContact CE1-N 3.34Å; I62-F65 PolarHBondContact O-N 3.37Å; I62-A66 VanDerWaalsContact O-CB 3.23Å; I62-A66 WeakPolarHBondContact O-CB 3.48Å; I62-A66 PolarHBondContact O-N 2.88Å; I62-W90 HydrophobicContact CD1-CH2 4.16Å; I62-W90 HydrophobicContact CD1-CZ3 4.47Å; I62-W90 HydrophobicContact CG1-CH2 3.73Å; I62-W90 HydrophobicContact CG1-CZ3 3.8Å; I62-M347 HydrophobicContact CB-SD 4.36Å; I62-M347 HydrophobicContact CG2-CB 4.02Å
63	R	89.7	Confident	84.4	Confident	84 Å²	84	55.2 Å²	55.2	32%	0.317	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-46.8	178.5	-68.3	-177.4	69.2	-160	-0.1	112.6	G61 K67 Q84 L87 F348 D351	G61-R63 PolarHBondContact O-N 2.99Å; R63-K67 VanDerWaalsContact O-CG 3.32Å; R63-K67 WeakPolarHBondContact O-CG 3.44Å; R63-K67 PolarHBondContact O-N 2.77Å; R63-K67 VanDerWaalsContact O-N 3.09Å; R63-Q84 VanDerWaalsContact NH2-CD 3.34Å; R63-L87 HydrophobicContact CB-CD1 4.46Å; R63-F348 HydrophobicContact CG-CD1 4.4Å; R63-F348 HydrophobicContact CG-CE1 3.76Å; R63-D351 IonicContact NH1-OD2 3.15Å
64	D	90	Very high	85.1	Confident	85 Å²	85	53.4 Å²	53.4	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-69.9	-38.5	179.2	-65.4	-35.4	0	0	0	110.8	C60 G61 K67 A68	C60-D64 HydrophobicContact CB-CB 4.17Å; G61-D64 PolarHBondContact O-N 2.84Å; D64-K67 PolarHBondContact O-N 3.46Å; D64-A68 PolarHBondContact O-N 3.41Å
65	F	91.6	Very high	85.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-48.1	174.7	-176.9	-90.5	0	0	0	111.8	I8 L16 I39 A42 H43 Y46 G61 I62 K67 A68 V69	I8-F65 HydrophobicContact CD1-CD2 3.48Å; I8-F65 VanDerWaalsContact CD1-CD2 3.48Å; I8-F65 HydrophobicContact CD1-CE2 3.98Å; I8-F65 HydrophobicContact CD1-CG 4.4Å; L16-F65 HydrophobicContact CD1-CE2 3.99Å; L16-F65 HydrophobicContact CD1-CZ 3.88Å; I39-F65 HydrophobicContact CG2-CD1 3.85Å; I39-F65 HydrophobicContact CG2-CE1 4.01Å; I39-F65 WeakPolarHBondContact O-CE1 3.49Å; A42-F65 HydrophobicContact CB-CE1 4.07Å; A42-F65 HydrophobicContact CB-CZ 4.13Å; H43-F65 HydrophobicContact CB-CD1 3.53Å; H43-F65 HydrophobicContact CB-CD2 4.46Å; H43-F65 HydrophobicContact CB-CE1 3.71Å; H43-F65 HydrophobicContact CB-CG 3.94Å; H43-F65 HydrophobicContact CB-CZ 4.27Å; H43-F65 AromaticContact CD2-CD1 3.96Å; H43-F65 AromaticContact CD2-CD2 3.56Å; H43-F65 AromaticContact CD2-CG 3.4Å; H43-F65 WeakPolarHBondContact CD2-CG 3.35Å; H43-F65 AromaticContact CG-CD1 3.97Å; H43-F65 AromaticContact CG-CG 3.87Å; Y46-F65 HydrophobicContact CD1-CD2 4.1Å; Y46-F65 HydrophobicContact CD1-CE2 4.04Å; Y46-F65 HydrophobicContact CD2-CE2 4.42Å; Y46-F65 HydrophobicContact CG-CD2 4.36Å; Y46-F65 AromaticContact CG-CE2 3.84Å; Y46-F65 HydrophobicContact CG-CE2 3.84Å; G61-F65 WeakPolarHBondContact O-CB 3.46Å; G61-F65 PolarHBondContact O-N 2.85Å; I62-F65 PolarHBondContact O-N 3.37Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 3.25Å; F65-A68 WeakPolarHBondContact O-CB 3.46Å; F65-A68 PolarHBondContact O-N 3.25Å; F65-A68 VanDerWaalsContact O-N 3.11Å; F65-V69 HydrophobicContact CD1-CG2 4.05Å; F65-V69 HydrophobicContact CE1-CG2 3.61Å; F65-V69 HydrophobicContact CZ-CG2 3.96Å; F65-V69 WeakPolarHBondContact O-CG2 3.4Å; F65-V69 PolarHBondContact O-N 3.12Å
66	A	92.1	Very high	86.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-41.2	178.4	0	0	0	0	0	112	I39 I62 A68 V69 F70 L87	I39-A66 HydrophobicContact CG2-CB 3.7Å; I62-A66 VanDerWaalsContact O-CB 3.23Å; I62-A66 WeakPolarHBondContact O-CB 3.48Å; I62-A66 PolarHBondContact O-N 2.88Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 3.31Å; A66-V69 PolarHBondContact O-N 3.43Å; A66-F70 WeakPolarHBondContact O-CD2 3.21Å; A66-F70 PolarHBondContact O-N 3.07Å; A66-L87 HydrophobicContact CB-CD1 4.48Å; A66-L87 HydrophobicContact CB-CD2 3.72Å
67	K	91.4	Very high	87.1	Confident	78 Å²	78	48.1 Å²	48.1	34%	0.339	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-44.4	172.7	-74.6	175	-178.3	-173.7	0	111.6	R63 D64 F65 F70 H71 V83 L87	R63-K67 VanDerWaalsContact O-CG 3.32Å; R63-K67 WeakPolarHBondContact O-CG 3.44Å; R63-K67 PolarHBondContact O-N 2.77Å; R63-K67 VanDerWaalsContact O-N 3.09Å; D64-K67 PolarHBondContact O-N 3.46Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 3.25Å; K67-F70 PolarHBondContact O-N 2.96Å; K67-H71 WeakPolarHBondContact O-CB 3.33Å; K67-H71 PolarHBondContact O-N 2.87Å; K67-V83 HydrophobicContact CG-CG1 3.8Å; K67-L87 HydrophobicContact CG-CD1 4.26Å
68	A	91.7	Very high	87.4	Confident	30 Å²	30	51.4 Å²	51.4	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-42.6	176.7	0	0	0	0	0	112.1	I8 D64 F65 A66 H71 H72	I8-A68 HydrophobicContact CD1-CB 4.08Å; D64-A68 PolarHBondContact O-N 3.41Å; F65-A68 WeakPolarHBondContact O-CB 3.46Å; F65-A68 PolarHBondContact O-N 3.25Å; F65-A68 VanDerWaalsContact O-N 3.11Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 3.31Å; A68-H71 PolarHBondContact O-N 3.45Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-N 3.23Å
69	V	91.9	Very high	87.3	Confident	3 Å²	3	58 Å²	58	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-46	177.8	176.1	0	0	0	0	111.9	L13 I39 F65 A66 H71 H72 C73 L76	L13-V69 HydrophobicContact CD2-CG2 4.16Å; I39-V69 HydrophobicContact CD1-CB 4.32Å; I39-V69 HydrophobicContact CD1-CG1 4.02Å; I39-V69 HydrophobicContact CG1-CB 4.39Å; I39-V69 HydrophobicContact CG1-CG1 3.94Å; F65-V69 HydrophobicContact CD1-CG2 4.05Å; F65-V69 HydrophobicContact CE1-CG2 3.61Å; F65-V69 HydrophobicContact CZ-CG2 3.96Å; F65-V69 WeakPolarHBondContact O-CG2 3.4Å; F65-V69 PolarHBondContact O-N 3.12Å; A66-V69 PolarHBondContact O-N 3.43Å; V69-H71 VanDerWaalsContact C-N 3.28Å; V69-H71 PolarHBondContact O-N 2.99Å; V69-H72 PolarHBondContact O-N 3.44Å; V69-H72 VanDerWaalsContact O-N 3.14Å; V69-C73 PolarHBondContact O-N 3Å; V69-L76 HydrophobicContact CG1-CD1 4.34Å
70	F	91.3	Very high	87.2	Confident	6 Å²	6	53 Å²	53	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-33.7	177.3	-76.7	-60.5	0	0	0	112.7	V35 I39 A66 K67 C73 L76 L77 V83 V86	V35-F70 HydrophobicContact CG1-CE1 4.12Å; V35-F70 HydrophobicContact CG1-CZ 4.4Å; I39-F70 HydrophobicContact CD1-CD1 4.46Å; I39-F70 HydrophobicContact CD1-CD2 4.13Å; I39-F70 HydrophobicContact CD1-CE1 4.01Å; I39-F70 HydrophobicContact CD1-CE2 3.64Å; I39-F70 HydrophobicContact CD1-CZ 3.58Å; A66-F70 WeakPolarHBondContact O-CD2 3.21Å; A66-F70 PolarHBondContact O-N 3.07Å; K67-F70 PolarHBondContact O-N 2.96Å; F70-C73 CarbonylContact O-C 3.37Å; F70-L76 HydrophobicContact CD1-CB 4.01Å; F70-L76 HydrophobicContact CD1-CD1 4.28Å; F70-L76 HydrophobicContact CE1-CB 4.07Å; F70-L76 HydrophobicContact CE1-CD1 4.48Å; F70-L77 HydrophobicContact CB-CD1 4.17Å; F70-L77 HydrophobicContact CD1-CD1 3.68Å; F70-L77 HydrophobicContact CD1-CD2 4.01Å; F70-L77 HydrophobicContact CD1-CG 3.66Å; F70-L77 HydrophobicContact CE1-CD1 4.2Å; F70-L77 HydrophobicContact CE1-CD2 3.73Å; F70-L77 HydrophobicContact CE1-CG 3.92Å; F70-L77 HydrophobicContact CG-CD1 3.97Å; F70-L77 HydrophobicContact CG-CG 4.45Å; F70-L77 HydrophobicContact CZ-CD2 4.41Å; F70-V83 HydrophobicContact CB-CG1 4.44Å; F70-V83 HydrophobicContact CB-CG2 3.84Å; F70-V83 HydrophobicContact CD2-CG1 3.68Å; F70-V83 HydrophobicContact CD2-CG2 4.3Å; F70-V83 HydrophobicContact CE2-CG1 4.35Å; F70-V83 HydrophobicContact CG-CG1 4.38Å; F70-V83 HydrophobicContact CG-CG2 4.2Å; F70-V86 HydrophobicContact CE2-CG1 4.49Å; F70-V86 HydrophobicContact CZ-CG1 4.22Å
71	H	90.3	Very high	87.4	Confident	170 Å²	170	55.4 Å²	55.4	79%	0.787	30%	0.304	S	S	*	.	H	α-helix	trans	-70	-36.8	173.8	-136	79	0	0	0	112.3	K67 A68 V69	K67-H71 WeakPolarHBondContact O-CB 3.33Å; K67-H71 PolarHBondContact O-N 2.87Å; A68-H71 PolarHBondContact O-N 3.45Å; V69-H71 VanDerWaalsContact C-N 3.28Å; V69-H71 PolarHBondContact O-N 2.99Å
72	H	90.7	Very high	87.5	Confident	54 Å²	54	58.6 Å²	58.6	25%	0.25	31%	0.313	C	S	.	.	H	α-helix	trans	-74.6	-30.4	178.7	-169.4	68	0	0	0	113	T10 L13 D14 A68 V69 P74	T10-H72 VanDerWaalsContact CG2-CE1 3.44Å; T10-H72 WeakPolarHBondContact CG2-CE1 3.32Å; L13-H72 HydrophobicContact CB-CB 4.49Å; L13-H72 HydrophobicContact CD1-CB 4.11Å; D14-H72 IonicContact OD1-CD2 3.16Å; D14-H72 IonicContact OD1-CE1 3.87Å; D14-H72 PolarHBondContact OD1-CE1 3.44Å; D14-H72 IonicContact OD1-NE2 3.72Å; D14-H72 PolarHBondContact OD1-NE2 3.04Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-N 3.23Å; V69-H72 PolarHBondContact O-N 3.44Å; V69-H72 VanDerWaalsContact O-N 3.14Å; H72-P74 VanDerWaalsContact C-CD 3.5Å; H72-P74 WeakPolarHBondContact O-CD 3.28Å
73	C	87.8	Confident	87.5	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.054	32%	0.32	C	S	.	.			trans	-123.9	73.2	178.1	-70.9	0	0	0	0	111.5	V69 F70 F75 L76	V69-C73 PolarHBondContact O-N 3Å; F70-C73 CarbonylContact O-C 3.37Å; C73-F75 HydrophobicContact CB-CD1 4.17Å; C73-F75 HydrophobicContact CB-CE1 3.6Å; C73-F75 HydrophobicContact CB-CZ 4Å; C73-F75 PolarHBondContact O-N 2.92Å; C73-F75 VanDerWaalsContact O-N 3.1Å; C73-L76 HydrophobicContact CB-CD1 3.53Å; C73-L76 HydrophobicContact CB-CG 3.86Å; C73-L76 WeakPolarHBondContact O-CB 3.46Å; C73-L76 WeakPolarHBondContact O-CG 3.38Å; C73-L76 PolarHBondContact O-N 2.99Å; C73-L76 VanDerWaalsContact O-N 3.11Å
74	P	85.1	Confident	87.5	Confident	89 Å²	89	57.8 Å²	57.8	58%	0.578	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.4	-176.9	-24.6	34.4	0	0	0	114.2	H72 L76 L77	H72-P74 VanDerWaalsContact C-CD 3.5Å; H72-P74 WeakPolarHBondContact O-CD 3.28Å; P74-L76 PolarHBondContact O-N 3.32Å; P74-L76 VanDerWaalsContact O-N 3.13Å; P74-L77 CarbonylContact O-C 3.59Å; P74-L77 PolarHBondContact O-N 3.17Å
75	F	85.1	Confident	87.6	Confident	104 Å²	104	59.6 Å²	59.6	46%	0.456	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63.8	-15.4	178.8	69.6	-96	0	0	0	113.6	L22 C73 L77	L22-F75 HydrophobicContact CD2-CE1 4.43Å; L22-F75 HydrophobicContact CD2-CZ 3.88Å; C73-F75 HydrophobicContact CB-CD1 4.17Å; C73-F75 HydrophobicContact CB-CE1 3.6Å; C73-F75 HydrophobicContact CB-CZ 4Å; C73-F75 PolarHBondContact O-N 2.92Å; C73-F75 VanDerWaalsContact O-N 3.1Å; F75-L77 PolarHBondContact O-N 3.21Å
76	L	84.8	Confident	87.5	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-70.7	-17.7	174.6	-62.5	172.6	0	0	0	112.7	I21 R29 V35 V69 F70 C73 P74 P78	I21-L76 HydrophobicContact CG2-CD1 3.76Å; I21-L76 HydrophobicContact CG2-CD2 3.59Å; I21-L76 HydrophobicContact CG2-CG 4.21Å; R29-L76 HydrophobicContact CG-CD2 4.26Å; V35-L76 HydrophobicContact CG1-CB 4.42Å; V35-L76 HydrophobicContact CG1-CD1 3.98Å; V35-L76 HydrophobicContact CG1-CD2 4.04Å; V35-L76 HydrophobicContact CG1-CG 4.37Å; V35-L76 HydrophobicContact CG2-CD2 4.5Å; V69-L76 HydrophobicContact CG1-CD1 4.34Å; F70-L76 HydrophobicContact CD1-CB 4.01Å; F70-L76 HydrophobicContact CD1-CD1 4.28Å; F70-L76 HydrophobicContact CE1-CB 4.07Å; F70-L76 HydrophobicContact CE1-CD1 4.48Å; C73-L76 HydrophobicContact CB-CD1 3.53Å; C73-L76 HydrophobicContact CB-CG 3.86Å; C73-L76 WeakPolarHBondContact O-CB 3.46Å; C73-L76 WeakPolarHBondContact O-CG 3.38Å; C73-L76 PolarHBondContact O-N 2.99Å; C73-L76 VanDerWaalsContact O-N 3.11Å; P74-L76 PolarHBondContact O-N 3.32Å; P74-L76 VanDerWaalsContact O-N 3.13Å; L76-P78 VanDerWaalsContact C-CD 3.46Å; L76-P78 WeakPolarHBondContact O-CD 3.3Å
77	L	84.4	Confident	87.4	Confident	18 Å²	18	60 Å²	60	9%	0.094	32%	0.321	C	S	.	.	S	Bend	trans	-122.4	71	176.1	-59.4	178	0	0	0	108.5	A32 F70 P74 F75 H79 G80 E81 V83 V86	A32-L77 HydrophobicContact CB-CD2 4.17Å; F70-L77 HydrophobicContact CB-CD1 4.17Å; F70-L77 HydrophobicContact CD1-CD1 3.68Å; F70-L77 HydrophobicContact CD1-CD2 4.01Å; F70-L77 HydrophobicContact CD1-CG 3.66Å; F70-L77 HydrophobicContact CE1-CD1 4.2Å; F70-L77 HydrophobicContact CE1-CD2 3.73Å; F70-L77 HydrophobicContact CE1-CG 3.92Å; F70-L77 HydrophobicContact CG-CD1 3.97Å; F70-L77 HydrophobicContact CG-CG 4.45Å; F70-L77 HydrophobicContact CZ-CD2 4.41Å; P74-L77 CarbonylContact O-C 3.59Å; P74-L77 PolarHBondContact O-N 3.17Å; F75-L77 PolarHBondContact O-N 3.21Å; L77-H79 PolarHBondContact O-N 3.42Å; L77-H79 VanDerWaalsContact O-N 3.13Å; L77-G80 PolarHBondContact O-N 2.87Å; L77-E81 WeakPolarHBondContact CA-OE2 3.29Å; L77-E81 WeakPolarHBondContact CB-OE2 3.41Å; L77-E81 HydrophobicContact CD2-CB 4.21Å; L77-V83 HydrophobicContact CD1-CG2 3.55Å; L77-V86 HydrophobicContact CD2-CG2 4.27Å
78	P	78.1	Confident	87.4	Confident	86 Å²	86	60.9 Å²	60.9	56%	0.558	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.8	-169	24.8	-33.4	0	0	0	113.5	L76	L76-P78 VanDerWaalsContact C-CD 3.46Å; L76-P78 WeakPolarHBondContact O-CD 3.3Å
79	H	79.9	Confident	87.4	Confident	164 Å²	164	63.4 Å²	63.4	76%	0.759	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5.6	178.7	-50	95.3	0	0	0	112.9	L77 E81	L77-H79 PolarHBondContact O-N 3.42Å; L77-H79 VanDerWaalsContact O-N 3.13Å; H79-E81 IonicContact CG-OE1 3.97Å; H79-E81 PolarHBondContact N-OE2 3.42Å; H79-E81 VanDerWaalsContact N-OE2 3.16Å; H79-E81 IonicContact ND1-OE1 2.88Å; H79-E81 PolarHBondContact ND1-OE1 3.33Å
80	G	78.7	Confident	87.3	Confident	67 Å²	67	63.3 Å²	63.3	69%	0.691	33%	0.332	S	S	*	.			trans	69.8	35.3	-175.8	0	0	0	0	0	112.5	L77	L77-G80 PolarHBondContact O-N 2.87Å
81	E	85.9	Confident	87.1	Confident	70 Å²	70	65.6 Å²	65.6	33%	0.327	34%	0.342	S	S	.	.			trans	-55.4	145.7	176.7	-61.4	89.1	161.2	0	0	111.6	L77 H79 V83 V86	L77-E81 WeakPolarHBondContact CA-OE2 3.29Å; L77-E81 WeakPolarHBondContact CB-OE2 3.41Å; L77-E81 HydrophobicContact CD2-CB 4.21Å; H79-E81 IonicContact CG-OE1 3.97Å; H79-E81 PolarHBondContact N-OE2 3.42Å; H79-E81 VanDerWaalsContact N-OE2 3.16Å; H79-E81 IonicContact ND1-OE1 2.88Å; H79-E81 PolarHBondContact ND1-OE1 3.33Å; E81-V83 PolarHBondContact O-N 2.95Å; E81-V86 HydrophobicContact CB-CG2 4.17Å
82	D	88.7	Confident	87	Confident	104 Å²	104	63.8 Å²	63.8	56%	0.556	33%	0.334	S	S	*	.			trans	-71.8	113.5	176.1	-177	-7.7	0	0	0	110.3	Q84 K85 V86	D82-Q84 PolarHBondContact O-N 2.88Å; D82-Q84 VanDerWaalsContact O-N 3.15Å; D82-Q84 WeakPolarHBondContact OD1-CB 2.94Å; D82-Q84 PolarHBondContact OD1-N 3.25Å; D82-K85 HydrophobicContact CB-CB 4.05Å; D82-K85 WeakPolarHBondContact O-CB 3.45Å; D82-K85 PolarHBondContact O-N 2.8Å; D82-V86 PolarHBondContact O-N 3.32Å
83	V	89.1	Confident	86.9	Confident	33 Å²	33	63.8 Å²	63.8	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-50.7	-39.1	176.3	179	0	0	0	0	111.6	K67 F70 L77 E81 K85 V86 L87	K67-V83 HydrophobicContact CG-CG1 3.8Å; F70-V83 HydrophobicContact CB-CG1 4.44Å; F70-V83 HydrophobicContact CB-CG2 3.84Å; F70-V83 HydrophobicContact CD2-CG1 3.68Å; F70-V83 HydrophobicContact CD2-CG2 4.3Å; F70-V83 HydrophobicContact CE2-CG1 4.35Å; F70-V83 HydrophobicContact CG-CG1 4.38Å; F70-V83 HydrophobicContact CG-CG2 4.2Å; L77-V83 HydrophobicContact CD1-CG2 3.55Å; E81-V83 PolarHBondContact O-N 2.95Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.23Å; V83-V86 PolarHBondContact O-N 2.62Å; V83-L87 HydrophobicContact CG1-CD1 4.07Å; V83-L87 HydrophobicContact CG1-CG 4.3Å; V83-L87 WeakPolarHBondContact O-CB 3.43Å; V83-L87 VanDerWaalsContact O-CG 3.24Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 3Å
84	Q	89.1	Confident	86.8	Confident	42 Å²	42	63.4 Å²	63.4	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-40.3	-177.9	-175.2	51.2	54.1	0	0	111.4	R63 D82 L87 E88	R63-Q84 VanDerWaalsContact NH2-CD 3.34Å; D82-Q84 PolarHBondContact O-N 2.88Å; D82-Q84 VanDerWaalsContact O-N 3.15Å; D82-Q84 WeakPolarHBondContact OD1-CB 2.94Å; D82-Q84 PolarHBondContact OD1-N 3.25Å; Q84-L87 PolarHBondContact O-N 3.42Å; Q84-E88 PolarHBondContact NE2-OE1 3.23Å; Q84-E88 WeakPolarHBondContact O-CG 3.5Å; Q84-E88 PolarHBondContact O-N 2.93Å; Q84-E88 VanDerWaalsContact O-N 3.13Å
85	K	91.1	Very high	86.7	Confident	122 Å²	122	62.6 Å²	62.6	53%	0.53	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-44.4	175.8	-173.3	-178.5	176.6	-167.5	0	111.5	D82 V83 L87 E88 E89	D82-K85 HydrophobicContact CB-CB 4.05Å; D82-K85 WeakPolarHBondContact O-CB 3.45Å; D82-K85 PolarHBondContact O-N 2.8Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.23Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.46Å; K85-E88 WeakPolarHBondContact O-CB 3.03Å; K85-E88 PolarHBondContact O-N 3.2Å; K85-E89 WeakPolarHBondContact CE-OE1 3.04Å; K85-E89 IonicContact NZ-OE1 2.96Å; K85-E89 WeakPolarHBondContact O-CG 3.4Å; K85-E89 PolarHBondContact O-N 3.21Å
86	V	91	Very high	86.8	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-56.7	-43.3	174.9	171.6	0	0	0	0	111.1	A32 F70 L77 E81 D82 V83 E88 E89 W90	A32-V86 HydrophobicContact CB-CG1 3.68Å; A32-V86 HydrophobicContact CB-CG2 4.08Å; F70-V86 HydrophobicContact CE2-CG1 4.49Å; F70-V86 HydrophobicContact CZ-CG1 4.22Å; L77-V86 HydrophobicContact CD2-CG2 4.27Å; E81-V86 HydrophobicContact CB-CG2 4.17Å; D82-V86 PolarHBondContact O-N 3.32Å; V83-V86 PolarHBondContact O-N 2.62Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 2.68Å; V86-E89 PolarHBondContact O-N 3.42Å; V86-W90 WeakPolarHBondContact O-CB 3.32Å; V86-W90 PolarHBondContact O-N 3.15Å
87	L	90.4	Very high	87.1	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-31.9	177.6	-69	176.9	0	0	0	113.1	R63 A66 K67 V83 Q84 K85 W90 K91	R63-L87 HydrophobicContact CB-CD1 4.46Å; A66-L87 HydrophobicContact CB-CD1 4.48Å; A66-L87 HydrophobicContact CB-CD2 3.72Å; K67-L87 HydrophobicContact CG-CD1 4.26Å; V83-L87 HydrophobicContact CG1-CD1 4.07Å; V83-L87 HydrophobicContact CG1-CG 4.3Å; V83-L87 WeakPolarHBondContact O-CB 3.43Å; V83-L87 VanDerWaalsContact O-CG 3.24Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 3Å; Q84-L87 PolarHBondContact O-N 3.42Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.46Å; L87-W90 HydrophobicContact CD2-CE3 3.97Å; L87-W90 HydrophobicContact CD2-CZ3 4.3Å; L87-K91 WeakPolarHBondContact O-CB 3.34Å; L87-K91 PolarHBondContact O-N 3.16Å
88	E	90.3	Very high	87.6	Confident	97 Å²	97	59.7 Å²	59.7	45%	0.453	32%	0.318	S	S	.	.	H	α-helix	trans	-71	-46.9	175.1	-76.9	164.3	-158.8	0	0	111.1	Q84 K85 V86 W90 K91 E92	Q84-E88 PolarHBondContact NE2-OE1 3.23Å; Q84-E88 WeakPolarHBondContact O-CG 3.5Å; Q84-E88 PolarHBondContact O-N 2.93Å; Q84-E88 VanDerWaalsContact O-N 3.13Å; K85-E88 WeakPolarHBondContact O-CB 3.03Å; K85-E88 PolarHBondContact O-N 3.2Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 2.68Å; E88-W90 VanDerWaalsContact C-N 3.31Å; E88-W90 PolarHBondContact O-N 3.23Å; E88-K91 WeakPolarHBondContact O-CB 3.48Å; E88-K91 PolarHBondContact O-N 3.33Å; E88-K91 VanDerWaalsContact O-N 3.16Å; E88-E92 WeakPolarHBondContact O-CG 3.09Å; E88-E92 PolarHBondContact O-N 3.1Å
89	E	90.8	Very high	88.5	Confident	84 Å²	84	55.8 Å²	55.8	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-41.1	174.3	-70.1	175.9	-178.8	0	0	111.5	I33 K85 V86 E92 Y93	I33-E89 HydrophobicContact CD1-CB 3.75Å; K85-E89 WeakPolarHBondContact CE-OE1 3.04Å; K85-E89 IonicContact NZ-OE1 2.96Å; K85-E89 WeakPolarHBondContact O-CG 3.4Å; K85-E89 PolarHBondContact O-N 3.21Å; V86-E89 PolarHBondContact O-N 3.42Å; E89-E92 PolarHBondContact O-N 2.92Å; E89-Y93 VanDerWaalsContact O-CB 3.3Å; E89-Y93 WeakPolarHBondContact O-CB 3.46Å; E89-Y93 PolarHBondContact O-N 2.92Å
90	W	90.3	Very high	89.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-39.5	176.3	177.3	48.2	0	0	0	112.1	I33 C36 F37 E40 I62 V86 L87 E88 Y93 K94 F348	I33-W90 HydrophobicContact CD1-CB 3.97Å; I33-W90 HydrophobicContact CG2-CB 4.49Å; C36-W90 HydrophobicContact CB-CB 4.18Å; C36-W90 HydrophobicContact CB-CD2 3.33Å; C36-W90 HydrophobicContact CB-CE3 3.7Å; C36-W90 HydrophobicContact CB-CG 3.54Å; C36-W90 HydrophobicContact CB-CH2 4.43Å; C36-W90 HydrophobicContact CB-CZ2 4.12Å; C36-W90 HydrophobicContact CB-CZ3 4.23Å; C36-W90 WeakPolarHBondContact O-CZ2 3.36Å; F37-W90 HydrophobicContact CD1-CZ2 4.5Å; F37-W90 AromaticContact CD1-NE1 3.75Å; F37-W90 AromaticContact CD2-NE1 3.94Å; F37-W90 AromaticContact CE1-NE1 3.53Å; F37-W90 AromaticContact CE2-CD1 3.98Å; F37-W90 AromaticContact CE2-NE1 3.7Å; F37-W90 AromaticContact CG-NE1 3.96Å; F37-W90 AromaticContact CZ-CD1 3.98Å; F37-W90 AromaticContact CZ-NE1 3.49Å; E40-W90 HydrophobicContact CB-CH2 3.89Å; E40-W90 HydrophobicContact CB-CZ2 3.9Å; E40-W90 HydrophobicContact CG-CH2 4.4Å; E40-W90 HydrophobicContact CG-CZ2 4.45Å; I62-W90 HydrophobicContact CD1-CH2 4.16Å; I62-W90 HydrophobicContact CD1-CZ3 4.47Å; I62-W90 HydrophobicContact CG1-CH2 3.73Å; I62-W90 HydrophobicContact CG1-CZ3 3.8Å; V86-W90 WeakPolarHBondContact O-CB 3.32Å; V86-W90 PolarHBondContact O-N 3.15Å; L87-W90 HydrophobicContact CD2-CE3 3.97Å; L87-W90 HydrophobicContact CD2-CZ3 4.3Å; E88-W90 VanDerWaalsContact C-N 3.31Å; E88-W90 PolarHBondContact O-N 3.23Å; W90-Y93 PolarHBondContact O-N 3.21Å; W90-K94 HydrophobicContact CD2-CD 4.3Å; W90-K94 HydrophobicContact CZ2-CD 3.74Å; W90-K94 WeakPolarHBondContact O-CB 3.49Å; W90-K94 WeakPolarHBondContact O-CG 3.4Å; W90-K94 PolarHBondContact O-N 3.06Å; W90-F348 HydrophobicContact CD2-CE2 4.4Å; W90-F348 AromaticContact CE3-CE2 3.92Å; W90-F348 HydrophobicContact CE3-CE2 3.92Å; W90-F348 AromaticContact CE3-CZ 3.66Å; W90-F348 HydrophobicContact CE3-CZ 3.66Å; W90-F348 HydrophobicContact CH2-CE2 4.4Å; W90-F348 AromaticContact CZ3-CE2 3.92Å; W90-F348 HydrophobicContact CZ3-CE2 3.92Å; W90-F348 AromaticContact CZ3-CZ 3.72Å; W90-F348 HydrophobicContact CZ3-CZ 3.72Å
91	K	87.9	Confident	90.3	Very high	55 Å²	55	45.9 Å²	45.9	24%	0.239	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-48.8	174.3	179.1	-176.2	175.6	-175.6	0	111.1	L87 E88 Y93 K94 M95 F348	L87-K91 WeakPolarHBondContact O-CB 3.34Å; L87-K91 PolarHBondContact O-N 3.16Å; E88-K91 WeakPolarHBondContact O-CB 3.48Å; E88-K91 PolarHBondContact O-N 3.33Å; E88-K91 VanDerWaalsContact O-N 3.16Å; K91-Y93 VanDerWaalsContact C-N 3.32Å; K91-Y93 PolarHBondContact O-N 2.88Å; K91-K94 PolarHBondContact O-N 3.13Å; K91-M95 WeakPolarHBondContact O-CG 3.47Å; K91-M95 PolarHBondContact O-N 3.35Å; K91-F348 HydrophobicContact CB-CD1 4.39Å; K91-F348 HydrophobicContact CB-CD2 4.22Å; K91-F348 HydrophobicContact CB-CE1 4.22Å; K91-F348 HydrophobicContact CB-CE2 4.06Å; K91-F348 HydrophobicContact CB-CG 4.38Å; K91-F348 HydrophobicContact CB-CZ 4.06Å; K91-F348 HydrophobicContact CD-CB 4.27Å; K91-F348 HydrophobicContact CD-CD1 3.92Å; K91-F348 HydrophobicContact CD-CE1 4.4Å; K91-F348 HydrophobicContact CD-CG 4.05Å; K91-F348 HydrophobicContact CG-CB 4.27Å; K91-F348 HydrophobicContact CG-CD1 4.14Å; K91-F348 HydrophobicContact CG-CD2 4.03Å; K91-F348 HydrophobicContact CG-CE1 4.47Å; K91-F348 HydrophobicContact CG-CE2 4.38Å; K91-F348 HydrophobicContact CG-CG 3.9Å
92	E	88.1	Confident	90.9	Very high	132 Å²	132	42.6 Å²	42.6	62%	0.617	21%	0.212	S	C	*	.	H	α-helix	trans	-58.8	-45.3	177	-73.6	179.6	-178.8	0	0	111.7	E88 E89 K94 M95 G96	E88-E92 WeakPolarHBondContact O-CG 3.09Å; E88-E92 PolarHBondContact O-N 3.1Å; E89-E92 PolarHBondContact O-N 2.92Å; E92-K94 PolarHBondContact O-N 3.31Å; E92-M95 HydrophobicContact CG-CE 4.25Å; E92-M95 PolarHBondContact O-N 3Å; E92-G96 PolarHBondContact O-N 3.48Å
93	Y	87.4	Confident	91.3	Very high	54 Å²	54	37.6 Å²	37.6	21%	0.212	19%	0.186	C	C	.	.	H	α-helix	trans	-54.8	-53	173.3	176.7	-87.7	0	0	0	110.7	I33 F37 E89 W90 K91 M95 G96 V97 F380	I33-Y93 HydrophobicContact CG2-CD1 4.18Å; I33-Y93 HydrophobicContact CG2-CG 4.04Å; F37-Y93 AromaticContact CE2-CD1 3.9Å; F37-Y93 HydrophobicContact CE2-CD1 3.9Å; F37-Y93 AromaticContact CE2-CE1 3.76Å; F37-Y93 HydrophobicContact CE2-CE1 3.76Å; F37-Y93 AromaticContact CZ-CD1 3.66Å; F37-Y93 HydrophobicContact CZ-CD1 3.66Å; F37-Y93 AromaticContact CZ-CE1 3.54Å; F37-Y93 HydrophobicContact CZ-CE1 3.54Å; E89-Y93 VanDerWaalsContact O-CB 3.3Å; E89-Y93 WeakPolarHBondContact O-CB 3.46Å; E89-Y93 PolarHBondContact O-N 2.92Å; W90-Y93 PolarHBondContact O-N 3.21Å; K91-Y93 VanDerWaalsContact C-N 3.32Å; K91-Y93 PolarHBondContact O-N 2.88Å; Y93-M95 VanDerWaalsContact C-N 3.29Å; Y93-M95 PolarHBondContact O-N 2.75Å; Y93-G96 PolarHBondContact O-N 3.22Å; Y93-V97 HydrophobicContact CD1-CG2 4.12Å; Y93-V97 HydrophobicContact CE1-CG2 3.53Å; Y93-V97 WeakPolarHBondContact O-CG2 3.42Å; Y93-V97 PolarHBondContact O-N 2.76Å; Y93-F380 HydrophobicContact CE1-CD1 4.21Å; Y93-F380 AromaticContact CE1-CE1 3.62Å; Y93-F380 HydrophobicContact CE1-CE1 3.62Å; Y93-F380 HydrophobicContact CE1-CZ 4.12Å; Y93-F380 HydrophobicContact CE2-CB 4.4Å; Y93-F380 AromaticContact CE2-CD1 3.43Å; Y93-F380 HydrophobicContact CE2-CD1 3.43Å; Y93-F380 VanDerWaalsContact CE2-CD1 3.43Å; Y93-F380 HydrophobicContact CE2-CD2 4.43Å; Y93-F380 AromaticContact CE2-CE1 3.66Å; Y93-F380 HydrophobicContact CE2-CE1 3.66Å; Y93-F380 AromaticContact CE2-CG 3.84Å; Y93-F380 HydrophobicContact CE2-CG 3.84Å; Y93-F380 HydrophobicContact CE2-CZ 4.25Å; Y93-F380 AromaticContact CZ-CD1 3.25Å; Y93-F380 AromaticContact CZ-CE1 3.11Å; Y93-F380 AromaticContact CZ-CZ 3.92Å; Y93-F380 WeakPolarHBondContact OH-CD1 3.29Å; Y93-F380 WeakPolarHBondContact OH-CE1 3.43Å
94	K	86	Confident	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-36.5	-178.6	-83.1	-168.1	67.6	159.3	0	112.5	F37 E40 W90 K91 E92 G96 V97 K130 Q345 D346	F37-K94 HydrophobicContact CE1-CD 3.95Å; F37-K94 HydrophobicContact CE1-CG 3.9Å; F37-K94 HydrophobicContact CZ-CD 4.38Å; F37-K94 HydrophobicContact CZ-CG 3.87Å; E40-K94 IonicContact OE1-NZ 2.75Å; E40-K94 PolarHBondContact OE1-NZ 2.87Å; E40-K94 IonicContact OE2-NZ 2.94Å; E40-K94 PolarHBondContact OE2-NZ 3.27Å; W90-K94 HydrophobicContact CD2-CD 4.3Å; W90-K94 HydrophobicContact CZ2-CD 3.74Å; W90-K94 WeakPolarHBondContact O-CB 3.49Å; W90-K94 WeakPolarHBondContact O-CG 3.4Å; W90-K94 PolarHBondContact O-N 3.06Å; K91-K94 PolarHBondContact O-N 3.13Å; E92-K94 PolarHBondContact O-N 3.31Å; K94-G96 VanDerWaalsContact C-N 3.29Å; K94-G96 PolarHBondContact O-N 2.97Å; K94-V97 PolarHBondContact O-N 3.3Å; K94-K130 WeakPolarHBondContact O-CE 3.24Å; K94-K130 PolarHBondContact O-NZ 2.87Å; K94-Q345 PolarHBondContact NZ-O 3.46Å; K94-D346 WeakPolarHBondContact CB-OD1 3.16Å; K94-D346 VanDerWaalsContact CE-OD1 3.26Å; K94-D346 WeakPolarHBondContact CE-OD1 3.37Å
95	M	84.5	Confident	92.2	Very high	71 Å²	71	34 Å²	34	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-66.8	-30.9	176.6	-70	-170.5	-52	0	0	112.4	K91 E92 Y93 Q170	K91-M95 WeakPolarHBondContact O-CG 3.47Å; K91-M95 PolarHBondContact O-N 3.35Å; E92-M95 HydrophobicContact CG-CE 4.25Å; E92-M95 PolarHBondContact O-N 3Å; Y93-M95 VanDerWaalsContact C-N 3.29Å; Y93-M95 PolarHBondContact O-N 2.75Å; M95-Q170 VanDerWaalsContact O-CB 3.3Å; M95-Q170 WeakPolarHBondContact O-CB 3.39Å; M95-Q170 WeakPolarHBondContact O-CG 3.35Å
96	G	87.3	Confident	92.5	Very high	34 Å²	34	28.3 Å²	28.3	35%	0.351	14%	0.142	S	C	.	.	H	α-helix	trans	-79.9	-16.9	179.4	0	0	0	0	0	114.9	E92 Y93 K94 P98	E92-G96 PolarHBondContact O-N 3.48Å; Y93-G96 PolarHBondContact O-N 3.22Å; K94-G96 VanDerWaalsContact C-N 3.29Å; K94-G96 PolarHBondContact O-N 2.97Å; G96-P98 WeakPolarHBondContact O-CD 3.17Å
97	V	91.1	Very high	92.7	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	17%	0.17	C	C	.	.	S	Bend	trans	-65.5	124.7	-176.9	-176.3	0	0	0	0	110.2	Y93 K94 K130 V131 Q170	Y93-V97 HydrophobicContact CD1-CG2 4.12Å; Y93-V97 HydrophobicContact CE1-CG2 3.53Å; Y93-V97 WeakPolarHBondContact O-CG2 3.42Å; Y93-V97 PolarHBondContact O-N 2.76Å; K94-V97 PolarHBondContact O-N 3.3Å; V97-K130 HydrophobicContact CB-CD 3.92Å; V97-K130 HydrophobicContact CB-CG 4.18Å; V97-K130 HydrophobicContact CG1-CB 3.75Å; V97-K130 HydrophobicContact CG1-CD 4.07Å; V97-K130 HydrophobicContact CG1-CG 3.95Å; V97-K130 HydrophobicContact CG2-CD 4.47Å; V97-V131 HydrophobicContact CG1-CG1 4.27Å; V97-Q170 WeakPolarHBondContact O-CG 3.49Å; V97-Q170 PolarHBondContact O-NE2 3.23Å
98	P	94.9	Very high	93	Very high	21 Å²	21	36.7 Å²	36.7	14%	0.136	19%	0.186	C	C	.	.			trans	-57.2	145.4	176.6	-26	35.2	0	0	0	112.4	G96 Y100 K130 V131 L171	G96-P98 WeakPolarHBondContact O-CD 3.17Å; P98-Y100 HydrophobicContact CB-CE2 3.97Å; P98-K130 WeakPolarHBondContact O-CA 3.39Å; P98-V131 HydrophobicContact CB-CG1 4.22Å; P98-V131 HydrophobicContact CG-CG1 4.45Å; P98-V131 PolarHBondContact O-N 2.87Å; P98-V131 VanDerWaalsContact O-N 3.14Å; P98-L171 CarbonylContact C-O 3.57Å; P98-L171 VanDerWaalsContact CA-O 3.3Å; P98-L171 WeakPolarHBondContact CA-O 3.39Å; P98-L171 HydrophobicContact CB-CB 4.3Å; P98-L171 HydrophobicContact CB-CD2 4.21Å
99	T	95.9	Very high	93.2	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139	174.2	57.4	0	0	0	0	111.8	G129 K130 L171 V172 R173	T99-G129 CarbonylContact C-O 3.57Å; T99-G129 WeakPolarHBondContact CA-O 3.33Å; T99-G129 VanDerWaalsContact CB-O 3.24Å; T99-G129 WeakPolarHBondContact CB-O 3.46Å; T99-K130 HydrophobicContact CG2-CG 3.75Å; T99-L171 PolarHBondContact N-O 3.21Å; T99-V172 WeakPolarHBondContact O-CA 3.33Å; T99-V172 WeakPolarHBondContact OG1-CG2 3.41Å; T99-R173 PolarHBondContact O-N 2.92Å
100	Y	97.9	Very high	93.4	Very high	23 Å²	23	34.2 Å²	34.2	9%	0.09	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.5	178.4	-56	-72.2	0	0	0	110.1	P98 K128 G129 V131 P137 C140 L171 R173	P98-Y100 HydrophobicContact CB-CE2 3.97Å; Y100-K128 WeakPolarHBondContact O-CA 3.3Å; Y100-K128 WeakPolarHBondContact O-CB 3.33Å; Y100-G129 PolarHBondContact N-O 3.04Å; Y100-G129 PolarHBondContact O-N 2.93Å; Y100-G129 VanDerWaalsContact O-N 3.1Å; Y100-V131 HydrophobicContact CD2-CB 3.7Å; Y100-V131 HydrophobicContact CD2-CG2 3.92Å; Y100-V131 HydrophobicContact CE2-CB 3.56Å; Y100-V131 HydrophobicContact CE2-CG1 4.05Å; Y100-V131 HydrophobicContact CE2-CG2 3.69Å; Y100-P137 VanDerWaalsContact CB-O 3.28Å; Y100-P137 WeakPolarHBondContact CB-O 3.24Å; Y100-P137 HydrophobicContact CD1-CB 3.74Å; Y100-P137 HydrophobicContact CD2-CB 4.29Å; Y100-P137 HydrophobicContact CE1-CB 3.58Å; Y100-P137 HydrophobicContact CE1-CG 4.06Å; Y100-P137 HydrophobicContact CE2-CB 4.1Å; Y100-P137 HydrophobicContact CE2-CG 4.22Å; Y100-P137 HydrophobicContact CG-CB 4.13Å; Y100-C140 HydrophobicContact CD2-CB 3.86Å; Y100-C140 HydrophobicContact CG-CB 4.33Å; Y100-L171 HydrophobicContact CE1-CD2 3.87Å; Y100-R173 WeakPolarHBondContact CA-O 3.42Å; Y100-R173 HydrophobicContact CD1-CB 3.71Å; Y100-R173 HydrophobicContact CD1-CG 4.27Å; Y100-R173 HydrophobicContact CE1-CB 3.86Å
101	G	98.1	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-158.8	-176.4	0	0	0	0	0	112.3	P127 R173 L174 Y175	G101-P127 WeakPolarHBondContact CA-O 3.17Å; G101-R173 PolarHBondContact N-O 3.4Å; G101-R173 VanDerWaalsContact N-O 3.11Å; G101-L174 WeakPolarHBondContact O-CA 3.35Å; G101-Y175 WeakPolarHBondContact O-CD2 3.41Å; G101-Y175 PolarHBondContact O-N 3.21Å
102	A	98.4	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.5	-177.1	0	0	0	0	0	114.1	I104 P127 V145 I153 Y175 I177	A102-I104 HydrophobicContact CB-CG1 4.1Å; A102-P127 PolarHBondContact N-O 3.38Å; A102-P127 WeakPolarHBondContact O-CD 3.32Å; A102-V145 HydrophobicContact CB-CG2 3.63Å; A102-I153 HydrophobicContact CB-CD1 3.87Å; A102-Y175 CarbonylContact C-O 3.51Å; A102-Y175 VanDerWaalsContact CA-O 3.24Å; A102-Y175 WeakPolarHBondContact CA-O 3.33Å; A102-I177 HydrophobicContact CB-CG1 3.91Å
103	I	98.4	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101.5	161.8	-64.2	163.8	0	0	0	106.5	L105 F126 I163 L174 Y175 I177 F231 L235	I103-L105 HydrophobicContact CG2-CD2 3.67Å; I103-L105 HydrophobicContact CG2-CG 4.19Å; I103-F126 HydrophobicContact CB-CD1 4.25Å; I103-F126 HydrophobicContact CB-CE1 4.2Å; I103-F126 HydrophobicContact CG1-CD1 3.76Å; I103-F126 HydrophobicContact CG1-CD2 4.25Å; I103-F126 HydrophobicContact CG1-CE1 3.79Å; I103-F126 HydrophobicContact CG1-CE2 4.28Å; I103-F126 HydrophobicContact CG1-CG 3.99Å; I103-F126 HydrophobicContact CG1-CZ 4.05Å; I103-F126 HydrophobicContact CG2-CD1 4.33Å; I103-F126 HydrophobicContact CG2-CE1 3.82Å; I103-F126 HydrophobicContact CG2-CZ 4.39Å; I103-I163 HydrophobicContact CD1-CD1 3.77Å; I103-L174 HydrophobicContact CD1-CB 3.97Å; I103-L174 HydrophobicContact CD1-CD1 4.12Å; I103-L174 HydrophobicContact CG1-CB 3.84Å; I103-L174 HydrophobicContact CG1-CD1 3.87Å; I103-Y175 PolarHBondContact N-O 2.77Å; I103-I177 PolarHBondContact O-N 2.89Å; I103-F231 HydrophobicContact CD1-CB 4.31Å; I103-L235 HydrophobicContact CD1-CD1 4.44Å; I103-L235 HydrophobicContact CG2-CD1 3.82Å; I103-L235 HydrophobicContact CG2-CD2 3.73Å; I103-L235 HydrophobicContact CG2-CG 4.4Å
104	I	98.4	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.1	179.2	-58	169.7	0	0	0	108.5	A102 A112 L113 P127 V145 F151 I177 V180 W199	A102-I104 HydrophobicContact CB-CG1 4.1Å; I104-A112 CarbonylContact O-C 3.48Å; I104-A112 VanDerWaalsContact O-CA 3.32Å; I104-A112 WeakPolarHBondContact O-CA 3.37Å; I104-L113 HydrophobicContact CB-CB 3.95Å; I104-L113 HydrophobicContact CD1-CD2 3.88Å; I104-L113 HydrophobicContact CG2-CB 4.38Å; I104-L113 PolarHBondContact O-N 2.94Å; I104-P127 HydrophobicContact CD1-CG 4.32Å; I104-V145 HydrophobicContact CD1-CG1 3.83Å; I104-F151 HydrophobicContact CD1-CD1 4.21Å; I104-I177 HydrophobicContact CG1-CB 4.39Å; I104-V180 HydrophobicContact CG2-CB 3.81Å; I104-V180 HydrophobicContact CG2-CG1 4.15Å; I104-V180 HydrophobicContact CG2-CG2 3.52Å; I104-W199 HydrophobicContact CG2-CH2 3.98Å
105	L	98.3	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	147.7	-179.3	-51.3	175.5	0	0	0	110.8	I103 L109 N111 A112 I176 I177 G179 V180 I202 L235 W238 I239	I103-L105 HydrophobicContact CG2-CD2 3.67Å; I103-L105 HydrophobicContact CG2-CG 4.19Å; L105-L109 HydrophobicContact CB-CD2 3.99Å; L105-L109 HydrophobicContact CD1-CD2 3.93Å; L105-N111 WeakPolarHBondContact CA-O 3.48Å; L105-A112 HydrophobicContact CD2-CB 3.92Å; L105-I176 HydrophobicContact CD1-CG2 3.79Å; L105-I176 HydrophobicContact CG-CG2 4.42Å; L105-I177 PolarHBondContact N-O 3Å; L105-G179 PolarHBondContact O-N 3.34Å; L105-V180 PolarHBondContact O-N 3.07Å; L105-I202 HydrophobicContact CD2-CD1 3.72Å; L105-L235 HydrophobicContact CD1-CD1 4.21Å; L105-L235 HydrophobicContact CD2-CD1 4.28Å; L105-L235 HydrophobicContact CD2-CD2 4.31Å; L105-W238 HydrophobicContact CD1-CE3 4.49Å; L105-W238 HydrophobicContact CD1-CZ3 3.86Å; L105-I239 HydrophobicContact CD1-CD1 4.36Å; L105-I239 HydrophobicContact CD1-CG1 4.38Å
106	D	97.4	Very high	95.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	175.6	173	69	-23.6	0	0	0	112.8	S108 L109 E110 N111 V180 K182 W199	D106-S108 VanDerWaalsContact C-N 3.27Å; D106-S108 PolarHBondContact O-N 2.59Å; D106-S108 PolarHBondContact OD2-OG 3.03Å; D106-S108 VanDerWaalsContact OD2-OG 3.05Å; D106-L109 PolarHBondContact O-N 3.26Å; D106-L109 VanDerWaalsContact O-N 3.15Å; D106-L109 WeakPolarHBondContact OD1-CA 3.3Å; D106-L109 PolarHBondContact OD1-N 3.28Å; D106-L109 VanDerWaalsContact OD1-N 3.09Å; D106-E110 PolarHBondContact OD1-N 3.1Å; D106-N111 HydrophobicContact CB-CB 4.29Å; D106-N111 PolarHBondContact N-O 3.18Å; D106-N111 PolarHBondContact OD1-N 2.86Å; D106-N111 WeakPolarHBondContact OD2-CB 3.36Å; D106-N111 PolarHBondContact OD2-ND2 3.17Å; D106-V180 VanDerWaalsContact CA-O 3.3Å; D106-V180 WeakPolarHBondContact CA-O 3.07Å; D106-K182 HydrophobicContact CB-CG 3.92Å; D106-K182 WeakPolarHBondContact OD2-CE 3.49Å; D106-K182 IonicContact OD2-NZ 3.92Å; D106-K182 PolarHBondContact OD2-NZ 3.01Å; D106-K182 VanDerWaalsContact OD2-NZ 3.14Å; D106-W199 HydrophobicContact CB-CE3 4.43Å; D106-W199 HydrophobicContact CB-CH2 4.24Å; D106-W199 HydrophobicContact CB-CZ3 4.05Å
107	E	95.7	Very high	95.8	Very high	135 Å²	135	20.5 Å²	20.5	63%	0.631	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.3	178.5	-65.1	170	113.5	0	0	113.5
108	S	95.1	Very high	95.1	Very high	50 Å²	50	24.8 Å²	24.8	35%	0.35	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-5.8	177.9	67.1	0	0	0	0	114.3	D106 E110	D106-S108 VanDerWaalsContact C-N 3.27Å; D106-S108 PolarHBondContact O-N 2.59Å; D106-S108 PolarHBondContact OD2-OG 3.03Å; D106-S108 VanDerWaalsContact OD2-OG 3.05Å; S108-E110 PolarHBondContact O-N 2.98Å; S108-E110 WeakPolarHBondContact OG-CB 3.31Å; S108-E110 PolarHBondContact OG-OE2 3.38Å
109	L	95.5	Very high	94	Very high	23 Å²	23	27.7 Å²	27.7	12%	0.12	14%	0.14	C	C	.	.	S	Bend	trans	57.6	28.9	-173.5	-49.9	175.8	0	0	0	113.2	L105 D106 P178 I239 L242	L105-L109 HydrophobicContact CB-CD2 3.99Å; L105-L109 HydrophobicContact CD1-CD2 3.93Å; D106-L109 PolarHBondContact O-N 3.26Å; D106-L109 VanDerWaalsContact O-N 3.15Å; D106-L109 WeakPolarHBondContact OD1-CA 3.3Å; D106-L109 PolarHBondContact OD1-N 3.28Å; D106-L109 VanDerWaalsContact OD1-N 3.09Å; L109-P178 HydrophobicContact CD2-CB 3.6Å; L109-I239 HydrophobicContact CB-CG2 4.26Å; L109-L242 HydrophobicContact CD1-CD2 3.53Å
110	E	95.1	Very high	92.7	Very high	106 Å²	106	29 Å²	29	50%	0.495	15%	0.152	S	C	.	.			trans	-107.9	-20.3	-179	-67.6	175.7	160.8	0	0	112.2	D106 S108 P201 I202	D106-E110 PolarHBondContact OD1-N 3.1Å; S108-E110 PolarHBondContact O-N 2.98Å; S108-E110 WeakPolarHBondContact OG-CB 3.31Å; S108-E110 PolarHBondContact OG-OE2 3.38Å; E110-P201 CarbonylContact O-C 3.6Å; E110-P201 WeakPolarHBondContact O-CA 3.4Å; E110-I202 WeakPolarHBondContact O-CG1 2.99Å; E110-I202 PolarHBondContact O-N 2.94Å
111	N	96.8	Very high	91.2	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.4	-176	-56.8	-89.1	0	0	0	110.4	L105 D106 K182 W199 F200 P201	L105-N111 WeakPolarHBondContact CA-O 3.48Å; D106-N111 HydrophobicContact CB-CB 4.29Å; D106-N111 PolarHBondContact N-O 3.18Å; D106-N111 PolarHBondContact OD1-N 2.86Å; D106-N111 WeakPolarHBondContact OD2-CB 3.36Å; D106-N111 PolarHBondContact OD2-ND2 3.17Å; N111-K182 WeakPolarHBondContact ND2-CE 3.42Å; N111-K182 PolarHBondContact ND2-NZ 3.39Å; N111-W199 HydrophobicContact CB-CB 4.42Å; N111-W199 HydrophobicContact CB-CE3 4.03Å; N111-F200 CarbonylContact C-O 3.12Å; N111-F200 VanDerWaalsContact CA-O 3.28Å; N111-F200 WeakPolarHBondContact CA-O 3.23Å; N111-P201 WeakPolarHBondContact OD1-CA 3.46Å; N111-P201 WeakPolarHBondContact OD1-CG 3.36Å
112	A	97.8	Very high	89.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.4	175.4	0	0	0	0	0	110.7	I104 L105 F126 F200 I202	I104-A112 CarbonylContact O-C 3.48Å; I104-A112 VanDerWaalsContact O-CA 3.32Å; I104-A112 WeakPolarHBondContact O-CA 3.37Å; L105-A112 HydrophobicContact CD2-CB 3.92Å; A112-F126 HydrophobicContact CB-CE1 4.07Å; A112-F200 PolarHBondContact N-O 2.83Å; A112-F200 PolarHBondContact O-N 3.22Å; A112-I202 HydrophobicContact CB-CD1 4.34Å; A112-I202 HydrophobicContact CB-CG1 3.92Å
113	L	97.6	Very high	89.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.7	176.6	-162.7	77.5	0	0	0	109.9	I104 T149 F186 I197 W199	I104-L113 HydrophobicContact CB-CB 3.95Å; I104-L113 HydrophobicContact CD1-CD2 3.88Å; I104-L113 HydrophobicContact CG2-CB 4.38Å; I104-L113 PolarHBondContact O-N 2.94Å; L113-T149 HydrophobicContact CD2-CG2 4.23Å; L113-F186 HydrophobicContact CD1-CD2 3.82Å; L113-F186 HydrophobicContact CD1-CE2 3.54Å; L113-F186 HydrophobicContact CD1-CG 4.48Å; L113-F186 HydrophobicContact CD1-CZ 3.98Å; L113-F186 HydrophobicContact CD2-CD1 3.8Å; L113-F186 HydrophobicContact CD2-CD2 4.2Å; L113-F186 HydrophobicContact CD2-CE1 3.55Å; L113-F186 HydrophobicContact CD2-CE2 3.99Å; L113-F186 HydrophobicContact CD2-CG 4.11Å; L113-F186 HydrophobicContact CD2-CZ 3.65Å; L113-F186 HydrophobicContact CG-CE2 4.42Å; L113-F186 HydrophobicContact CG-CZ 4.44Å; L113-I197 HydrophobicContact CD1-CG2 3.72Å; L113-I197 HydrophobicContact CD2-CG2 3.92Å; L113-I197 HydrophobicContact CG-CG2 3.81Å; L113-W199 HydrophobicContact CB-CE3 4.11Å; L113-W199 HydrophobicContact CB-CH2 4.26Å; L113-W199 HydrophobicContact CB-CZ3 3.95Å; L113-W199 HydrophobicContact CD1-CD2 3.8Å; L113-W199 HydrophobicContact CD1-CE3 4.21Å; L113-W199 HydrophobicContact CD1-CG 4.22Å; L113-W199 HydrophobicContact CD1-CH2 4.43Å; L113-W199 HydrophobicContact CD1-CZ2 4.04Å; L113-W199 HydrophobicContact CD1-CZ3 4.5Å
114	L	96.6	Very high	88.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.9	172.4	-57.8	-179.7	0	0	0	110.5	W124 G125 F126 E198 F200 L205 F225	L114-W124 HydrophobicContact CB-CB 4.46Å; L114-W124 HydrophobicContact CB-CE3 3.94Å; L114-W124 HydrophobicContact CD1-CB 4.23Å; L114-G125 CarbonylContact C-O 3.56Å; L114-G125 VanDerWaalsContact CA-O 3.32Å; L114-G125 WeakPolarHBondContact CA-O 3.35Å; L114-G125 WeakPolarHBondContact CB-O 3.42Å; L114-F126 HydrophobicContact CD2-CD1 3.48Å; L114-F126 VanDerWaalsContact CD2-CD1 3.48Å; L114-F126 HydrophobicContact CD2-CD2 4.35Å; L114-F126 HydrophobicContact CD2-CE1 3.45Å; L114-F126 VanDerWaalsContact CD2-CE1 3.45Å; L114-F126 HydrophobicContact CD2-CE2 4.31Å; L114-F126 HydrophobicContact CD2-CG 3.96Å; L114-F126 HydrophobicContact CD2-CZ 3.89Å; L114-E198 PolarHBondContact N-O 3.42Å; L114-E198 PolarHBondContact O-N 3.06Å; L114-F200 HydrophobicContact CB-CD2 3.72Å; L114-F200 HydrophobicContact CB-CE2 3.88Å; L114-F200 HydrophobicContact CD1-CB 4.18Å; L114-F200 HydrophobicContact CD1-CD2 3.62Å; L114-F200 HydrophobicContact CD1-CE2 4.14Å; L114-F200 HydrophobicContact CD1-CG 3.9Å; L114-F200 HydrophobicContact CG-CD2 3.78Å; L114-F200 HydrophobicContact CG-CE2 4.37Å; L114-F200 HydrophobicContact CG-CG 4.41Å; L114-L205 HydrophobicContact CD1-CD1 4.39Å; L114-L205 HydrophobicContact CD1-CD2 3.9Å; L114-F225 HydrophobicContact CD1-CD1 3.9Å; L114-F225 HydrophobicContact CD1-CE1 3.91Å
115	V	95.1	Very high	88.7	Confident	10 Å²	10	39.9 Å²	39.9	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149.1	175.3	-57.4	0	0	0	0	110.3	W124 G125 P127 T149 I194 I197	V115-W124 WeakPolarHBondContact O-CA 3.46Å; V115-G125 PolarHBondContact N-O 3.1Å; V115-G125 PolarHBondContact O-N 3.21Å; V115-P127 HydrophobicContact CG1-CB 4.07Å; V115-P127 HydrophobicContact CG2-CB 4.4Å; V115-T149 HydrophobicContact CG1-CG2 3.89Å; V115-I194 HydrophobicContact CB-CD1 4.07Å; V115-I194 HydrophobicContact CB-CG2 4.17Å; V115-I194 HydrophobicContact CG2-CD1 4.05Å; V115-I197 HydrophobicContact CG1-CG1 4.16Å; V115-I197 HydrophobicContact CG1-CG2 4.36Å
116	Q	91.3	Very high	88.6	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.8	174.4	169.9	169.9	90.3	0	0	110.3	K121 G123 W124 R195 N196	Q116-K121 VanDerWaalsContact CD-O 3.31Å; Q116-K121 PolarHBondContact NE2-O 3.43Å; Q116-G123 WeakPolarHBondContact CA-O 3.08Å; Q116-G123 WeakPolarHBondContact CG-O 3.24Å; Q116-W124 HydrophobicContact CB-CD2 3.9Å; Q116-W124 HydrophobicContact CB-CE3 3.77Å; Q116-W124 HydrophobicContact CB-CH2 4.01Å; Q116-W124 HydrophobicContact CB-CZ2 4.1Å; Q116-W124 HydrophobicContact CB-CZ3 3.83Å; Q116-R195 HydrophobicContact CG-CB 4.28Å; Q116-R195 PolarHBondContact O-N 2.77Å; Q116-N196 HydrophobicContact CB-CB 4.23Å; Q116-N196 PolarHBondContact N-O 2.95Å
117	G	85.6	Confident	88.6	Confident	20 Å²	20	40 Å²	40	21%	0.206	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.4	176.4	0	0	0	0	0	113.2	A120 E193	G117-A120 CarbonylContact O-C 3.53Å; G117-E193 CarbonylContact C-O 3.48Å; G117-E193 WeakPolarHBondContact CA-O 3.32Å
118	Y	77.6	Confident	88.6	Confident	99 Å²	99	35.1 Å²	35.1	39%	0.388	19%	0.194	S	C	.	.	S	Bend	trans	-68.5	-42.9	-178	-170.6	-90.4	0	0	0	112.5	K121 K192 E193 R195	Y118-K121 WeakPolarHBondContact O-CG 3.5Å; Y118-K192 VanDerWaalsContact CB-C 3.42Å; Y118-K192 WeakPolarHBondContact CB-O 3.3Å; Y118-K192 HydrophobicContact CD1-CB 3.83Å; Y118-K192 WeakPolarHBondContact CD1-O 3.34Å; Y118-K192 HydrophobicContact CD2-CB 4.3Å; Y118-K192 HydrophobicContact CE1-CB 3.87Å; Y118-K192 HydrophobicContact CE1-CD 4.33Å; Y118-K192 HydrophobicContact CE1-CG 4.08Å; Y118-K192 HydrophobicContact CE2-CB 4.33Å; Y118-K192 HydrophobicContact CE2-CG 4.34Å; Y118-K192 HydrophobicContact CG-CB 4.06Å; Y118-K192 VanDerWaalsContact CG-O 3.3Å; Y118-E193 VanDerWaalsContact CB-O 3.3Å; Y118-E193 WeakPolarHBondContact CB-O 3.44Å; Y118-E193 PolarHBondContact N-O 3.16Å; Y118-R195 HydrophobicContact CD2-CG 4.47Å
119	L	70.5	Confident	88.5	Confident	81 Å²	81	32.9 Å²	32.9	42%	0.424	18%	0.179	S	C	.	.	S	Bend	trans	-84.3	-37.2	175.6	-64.6	177.1	0	0	0	111.7	W44 K121 M347	W44-L119 HydrophobicContact CH2-CD1 4.08Å; L119-K121 PolarHBondContact O-N 3.26Å; L119-M347 HydrophobicContact CD1-CE 3.54Å
120	A	69.4	Low	88.4	Confident	34 Å²	34	31.9 Å²	31.9	28%	0.281	17%	0.174	S	C	.	.	S	Bend	trans	-82.4	58.7	172.9	0	0	0	0	0	111.3	G117 S122 G123	G117-A120 CarbonylContact O-C 3.53Å; A120-S122 PolarHBondContact O-N 3.35Å; A120-G123 PolarHBondContact O-N 3.19Å
121	K	65.7	Low	88.3	Confident	135 Å²	135	28.2 Å²	28.2	59%	0.587	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-14.6	-168.3	-67.3	-178	-177.6	179.7	0	116.8	Q116 Y118 L119	Q116-K121 VanDerWaalsContact CD-O 3.31Å; Q116-K121 PolarHBondContact NE2-O 3.43Å; Y118-K121 WeakPolarHBondContact O-CG 3.5Å; L119-K121 PolarHBondContact O-N 3.26Å
122	S	70.1	Confident	88	Confident	63 Å²	63	28.4 Å²	28.4	44%	0.441	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-13.9	-178.5	55.5	0	0	0	0	114.1	A120 R224	A120-S122 PolarHBondContact O-N 3.35Å; S122-R224 WeakPolarHBondContact O-CA 3.38Å; S122-R224 WeakPolarHBondContact O-CB 2.92Å; S122-R224 WeakPolarHBondContact O-CD 3.45Å; S122-R224 WeakPolarHBondContact O-CG 3.43Å
123	G	85.8	Confident	87.2	Confident	27 Å²	27	31.4 Å²	31.4	28%	0.278	17%	0.173	S	C	.	.			trans	-85.5	134.7	-176.5	0	0	0	0	0	111.9	Q116 A120 R224	Q116-G123 WeakPolarHBondContact CA-O 3.08Å; Q116-G123 WeakPolarHBondContact CG-O 3.24Å; A120-G123 PolarHBondContact O-N 3.19Å; G123-R224 CarbonylContact C-O 3.43Å; G123-R224 WeakPolarHBondContact CA-O 3.39Å
124	W	91.4	Very high	86.7	Confident	17 Å²	17	39 Å²	39	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.4	169.2	-69.7	95.8	0	0	0	108.6	L114 V115 Q116 N196 E198 F200 R224 F225	L114-W124 HydrophobicContact CB-CB 4.46Å; L114-W124 HydrophobicContact CB-CE3 3.94Å; L114-W124 HydrophobicContact CD1-CB 4.23Å; V115-W124 WeakPolarHBondContact O-CA 3.46Å; Q116-W124 HydrophobicContact CB-CD2 3.9Å; Q116-W124 HydrophobicContact CB-CE3 3.77Å; Q116-W124 HydrophobicContact CB-CH2 4.01Å; Q116-W124 HydrophobicContact CB-CZ2 4.1Å; Q116-W124 HydrophobicContact CB-CZ3 3.83Å; W124-N196 HydrophobicContact CH2-CB 3.54Å; W124-N196 HydrophobicContact CZ2-CB 4.27Å; W124-N196 HydrophobicContact CZ3-CB 4.2Å; W124-E198 HydrophobicContact CH2-CB 3.82Å; W124-E198 HydrophobicContact CH2-CG 3.6Å; W124-E198 HydrophobicContact CZ3-CB 3.92Å; W124-E198 HydrophobicContact CZ3-CG 4.16Å; W124-F200 AromaticContact CD2-CE2 3.84Å; W124-F200 HydrophobicContact CD2-CE2 3.84Å; W124-F200 AromaticContact CD2-CZ 3.68Å; W124-F200 HydrophobicContact CD2-CZ 3.68Å; W124-F200 AromaticContact CE2-CZ 3.71Å; W124-F200 AromaticContact CE3-CE2 3.52Å; W124-F200 HydrophobicContact CE3-CE2 3.52Å; W124-F200 AromaticContact CE3-CZ 3.84Å; W124-F200 HydrophobicContact CE3-CZ 3.84Å; W124-F200 HydrophobicContact CG-CZ 4.23Å; W124-F200 HydrophobicContact CH2-CE2 4.1Å; W124-F200 HydrophobicContact CH2-CZ 4.04Å; W124-F200 HydrophobicContact CZ2-CE2 4.4Å; W124-F200 AromaticContact CZ2-CZ 3.91Å; W124-F200 HydrophobicContact CZ2-CZ 3.91Å; W124-F200 AromaticContact CZ3-CE2 3.67Å; W124-F200 HydrophobicContact CZ3-CE2 3.67Å; W124-F200 HydrophobicContact CZ3-CZ 4.03Å; W124-R224 PolarHBondContact N-O 3.49Å; W124-F225 HydrophobicContact CB-CD1 3.8Å; W124-F225 HydrophobicContact CB-CE1 3.83Å; W124-F225 HydrophobicContact CG-CD1 4.48Å; W124-F225 HydrophobicContact CG-CE1 4.07Å
125	G	94.1	Very high	86.6	Confident	8 Å²	8	40.7 Å²	40.7	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	172.4	178.7	0	0	0	0	0	111.7	L114 V115	L114-G125 CarbonylContact C-O 3.56Å; L114-G125 VanDerWaalsContact CA-O 3.32Å; L114-G125 WeakPolarHBondContact CA-O 3.35Å; L114-G125 WeakPolarHBondContact CB-O 3.42Å; V115-G125 PolarHBondContact N-O 3.1Å; V115-G125 PolarHBondContact O-N 3.21Å
126	F	96.9	Very high	86.7	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.022	23%	0.231	C	C	.	.			trans	-72.2	146.2	171.5	-64.7	-71.1	0	0	0	110.5	I103 A112 L114 K128 L174 A228 F231 I232 L235	I103-F126 HydrophobicContact CB-CD1 4.25Å; I103-F126 HydrophobicContact CB-CE1 4.2Å; I103-F126 HydrophobicContact CG1-CD1 3.76Å; I103-F126 HydrophobicContact CG1-CD2 4.25Å; I103-F126 HydrophobicContact CG1-CE1 3.79Å; I103-F126 HydrophobicContact CG1-CE2 4.28Å; I103-F126 HydrophobicContact CG1-CG 3.99Å; I103-F126 HydrophobicContact CG1-CZ 4.05Å; I103-F126 HydrophobicContact CG2-CD1 4.33Å; I103-F126 HydrophobicContact CG2-CE1 3.82Å; I103-F126 HydrophobicContact CG2-CZ 4.39Å; A112-F126 HydrophobicContact CB-CE1 4.07Å; L114-F126 HydrophobicContact CD2-CD1 3.48Å; L114-F126 VanDerWaalsContact CD2-CD1 3.48Å; L114-F126 HydrophobicContact CD2-CD2 4.35Å; L114-F126 HydrophobicContact CD2-CE1 3.45Å; L114-F126 VanDerWaalsContact CD2-CE1 3.45Å; L114-F126 HydrophobicContact CD2-CE2 4.31Å; L114-F126 HydrophobicContact CD2-CG 3.96Å; L114-F126 HydrophobicContact CD2-CZ 3.89Å; F126-K128 PolarHBondContact O-N 3.06Å; F126-L174 HydrophobicContact CB-CD1 3.71Å; F126-L174 HydrophobicContact CB-CD2 4.35Å; F126-L174 HydrophobicContact CD2-CD1 3.51Å; F126-L174 HydrophobicContact CE2-CD1 4.38Å; F126-L174 HydrophobicContact CG-CD1 3.76Å; F126-A228 HydrophobicContact CD2-CB 4.29Å; F126-A228 HydrophobicContact CE2-CB 3.84Å; F126-F231 HydrophobicContact CD2-CB 4.42Å; F126-F231 HydrophobicContact CD2-CD2 4.26Å; F126-F231 HydrophobicContact CD2-CG 4.49Å; F126-F231 HydrophobicContact CE2-CB 3.86Å; F126-F231 HydrophobicContact CE2-CD2 4.36Å; F126-F231 HydrophobicContact CE2-CG 4.38Å; F126-I232 HydrophobicContact CE2-CD1 4.24Å; F126-I232 HydrophobicContact CZ-CD1 4.01Å; F126-L235 HydrophobicContact CZ-CD2 4.49Å
127	P	96.8	Very high	87	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-64.2	123.5	176.8	26.6	-34.2	0	0	0	110.6	G101 A102 I104 V115 V145 E148 T149	G101-P127 WeakPolarHBondContact CA-O 3.17Å; A102-P127 PolarHBondContact N-O 3.38Å; A102-P127 WeakPolarHBondContact O-CD 3.32Å; I104-P127 HydrophobicContact CD1-CG 4.32Å; V115-P127 HydrophobicContact CG1-CB 4.07Å; V115-P127 HydrophobicContact CG2-CB 4.4Å; P127-V145 HydrophobicContact CB-CG2 4.26Å; P127-V145 HydrophobicContact CG-CG2 4.22Å; P127-E148 WeakPolarHBondContact CA-OE2 3.18Å; P127-E148 HydrophobicContact CB-CB 4.47Å; P127-E148 VanDerWaalsContact CB-OE2 3.31Å; P127-E148 WeakPolarHBondContact CB-OE2 3.3Å; P127-T149 HydrophobicContact CB-CG2 3.82Å; P127-T149 HydrophobicContact CG-CG2 4.14Å
128	K	95.6	Very high	87.5	Confident	32 Å²	32	43.7 Å²	43.7	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	154.2	-174.6	75.5	-168.1	-168.2	-43.1	0	111	Y100 F126 E148 V172 L174 Q345	Y100-K128 WeakPolarHBondContact O-CA 3.3Å; Y100-K128 WeakPolarHBondContact O-CB 3.33Å; F126-K128 PolarHBondContact O-N 3.06Å; K128-E148 PolarHBondContact N-OE2 3.03Å; K128-V172 HydrophobicContact CD-CG1 3.95Å; K128-L174 HydrophobicContact CB-CD2 3.95Å; K128-L174 HydrophobicContact CD-CD2 4.12Å; K128-Q345 PolarHBondContact O-NE2 3.3Å; K128-Q345 VanDerWaalsContact O-NE2 3.13Å
129	G	93.5	Very high	88.5	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-170.3	168.6	0	0	0	0	0	112.6	T99 Y100 E144	T99-G129 CarbonylContact C-O 3.57Å; T99-G129 WeakPolarHBondContact CA-O 3.33Å; T99-G129 VanDerWaalsContact CB-O 3.24Å; T99-G129 WeakPolarHBondContact CB-O 3.46Å; Y100-G129 PolarHBondContact N-O 3.04Å; Y100-G129 PolarHBondContact O-N 2.93Å; Y100-G129 VanDerWaalsContact O-N 3.1Å; G129-E144 WeakPolarHBondContact CA-OE1 3.26Å; G129-E144 VanDerWaalsContact CA-OE2 3.3Å; G129-E144 WeakPolarHBondContact CA-OE2 3.38Å
130	K	93.4	Very high	89.8	Confident	3 Å²	3	38.8 Å²	38.8	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	143.4	-167.3	-70.5	178.9	-169.6	-171.2	0	111.2	K94 V97 P98 T99 R143 E144 L344 D346	K94-K130 WeakPolarHBondContact O-CE 3.24Å; K94-K130 PolarHBondContact O-NZ 2.87Å; V97-K130 HydrophobicContact CB-CD 3.92Å; V97-K130 HydrophobicContact CB-CG 4.18Å; V97-K130 HydrophobicContact CG1-CB 3.75Å; V97-K130 HydrophobicContact CG1-CD 4.07Å; V97-K130 HydrophobicContact CG1-CG 3.95Å; V97-K130 HydrophobicContact CG2-CD 4.47Å; P98-K130 WeakPolarHBondContact O-CA 3.39Å; T99-K130 HydrophobicContact CG2-CG 3.75Å; K130-R143 PolarHBondContact O-NH2 2.9Å; K130-E144 PolarHBondContact N-OE1 3.45Å; K130-L344 HydrophobicContact CB-CB 4.05Å; K130-L344 WeakPolarHBondContact CB-O 3.44Å; K130-L344 HydrophobicContact CD-CB 3.99Å; K130-L344 WeakPolarHBondContact CD-O 3.4Å; K130-L344 VanDerWaalsContact CG-O 3.23Å; K130-L344 WeakPolarHBondContact CG-O 3.42Å; K130-D346 WeakPolarHBondContact CE-OD2 3.4Å; K130-D346 IonicContact NZ-OD1 3.59Å; K130-D346 PolarHBondContact NZ-OD1 3.5Å; K130-D346 IonicContact NZ-OD2 2.89Å; K130-D346 PolarHBondContact NZ-OD2 2.91Å
131	V	93.8	Very high	91.2	Very high	29 Å²	29	37.2 Å²	37.2	18%	0.176	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-69.9	138.6	176	71.3	0	0	0	0	111.6	V97 P98 Y100 E135 C140	V97-V131 HydrophobicContact CG1-CG1 4.27Å; P98-V131 HydrophobicContact CB-CG1 4.22Å; P98-V131 HydrophobicContact CG-CG1 4.45Å; P98-V131 PolarHBondContact O-N 2.87Å; P98-V131 VanDerWaalsContact O-N 3.14Å; Y100-V131 HydrophobicContact CD2-CB 3.7Å; Y100-V131 HydrophobicContact CD2-CG2 3.92Å; Y100-V131 HydrophobicContact CE2-CB 3.56Å; Y100-V131 HydrophobicContact CE2-CG1 4.05Å; Y100-V131 HydrophobicContact CE2-CG2 3.69Å; V131-E135 HydrophobicContact CG2-CB 4.02Å; V131-E135 HydrophobicContact CG2-CG 4.49Å; V131-E135 WeakPolarHBondContact CG2-O 3.42Å; V131-C140 HydrophobicContact CG2-CB 4.11Å
132	N	88.8	Confident	92.7	Very high	21 Å²	21	31.6 Å²	31.6	11%	0.112	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-83.4	170.6	169.4	-64.3	-47.1	0	0	0	111.4	E135 R143	N132-E135 HydrophobicContact CB-CB 4.02Å; N132-E135 WeakPolarHBondContact CB-OE2 3.13Å; N132-E135 PolarHBondContact N-OE2 3.47Å; N132-E135 PolarHBondContact ND2-OE2 3.36Å; N132-E135 WeakPolarHBondContact O-CB 3.26Å; N132-E135 PolarHBondContact O-N 3.13Å; N132-R143 VanDerWaalsContact ND2-CZ 3.27Å; N132-R143 PolarHBondContact ND2-NE 3.33Å; N132-R143 PolarHBondContact ND2-NH2 2.84Å
133	E	81.6	Confident	94	Very high	62 Å²	62	30 Å²	30	29%	0.29	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	140.9	171	-174.8	171	-156.5	0	0	111.2	E135 K381 F382 D383	E133-E135 PolarHBondContact O-N 2.96Å; E133-K381 VanDerWaalsContact CD-CA 3.43Å; E133-K381 WeakPolarHBondContact OE1-CA 3.36Å; E133-K381 WeakPolarHBondContact OE1-CB 3.3Å; E133-K381 WeakPolarHBondContact OE1-CG 3.36Å; E133-K381 VanDerWaalsContact OE2-CA 3.3Å; E133-K381 WeakPolarHBondContact OE2-CA 3.44Å; E133-K381 WeakPolarHBondContact OE2-CB 3.31Å; E133-F382 HydrophobicContact CB-CB 4.14Å; E133-F382 WeakPolarHBondContact CB-O 3.1Å; E133-F382 WeakPolarHBondContact OE2-CA 3.4Å; E133-F382 PolarHBondContact OE2-N 3.01Å; E133-D383 PolarHBondContact OE2-N 3.33Å
134	D	88.1	Confident	94.5	Very high	161 Å²	161	28.7 Å²	28.7	86%	0.861	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	16.5	179.5	-61.7	-33.2	0	0	0	114.9
135	E	93.8	Very high	94.8	Very high	35 Å²	35	27.9 Å²	27.9	16%	0.164	15%	0.151	C	C	.	.			trans	-89.2	123.7	178.3	-173	174.1	-134.4	0	0	110.1	V131 N132 E133 D139 C140 R143	V131-E135 HydrophobicContact CG2-CB 4.02Å; V131-E135 HydrophobicContact CG2-CG 4.49Å; V131-E135 WeakPolarHBondContact CG2-O 3.42Å; N132-E135 HydrophobicContact CB-CB 4.02Å; N132-E135 WeakPolarHBondContact CB-OE2 3.13Å; N132-E135 PolarHBondContact N-OE2 3.47Å; N132-E135 PolarHBondContact ND2-OE2 3.36Å; N132-E135 WeakPolarHBondContact O-CB 3.26Å; N132-E135 PolarHBondContact O-N 3.13Å; E133-E135 PolarHBondContact O-N 2.96Å; E135-D139 HydrophobicContact CG-CB 4.32Å; E135-C140 HydrophobicContact CG-CB 3.9Å; E135-C140 WeakPolarHBondContact OE2-CB 3.25Å; E135-R143 IonicContact OE1-CZ 3.21Å; E135-R143 IonicContact OE1-NE 2.74Å; E135-R143 PolarHBondContact OE1-NE 3.27Å; E135-R143 IonicContact OE1-NH2 2.81Å; E135-R143 IonicContact OE2-CZ 2.87Å; E135-R143 IonicContact OE2-NE 3.42Å; E135-R143 PolarHBondContact OE2-NE 3.03Å; E135-R143 IonicContact OE2-NH2 2.83Å; E135-R143 PolarHBondContact OE2-NH2 3.04Å
136	A	96.6	Very high	94.9	Very high	32 Å²	32	29.5 Å²	29.5	26%	0.264	16%	0.158	S	C	.	.			trans	-67	145.7	176.8	0	0	0	0	0	110.4	H138 D139 C140	A136-H138 VanDerWaalsContact CB-CE1 3.41Å; A136-H138 WeakPolarHBondContact CB-CE1 3Å; A136-H138 PolarHBondContact O-N 3.11Å; A136-D139 HydrophobicContact CB-CB 4.44Å; A136-D139 WeakPolarHBondContact CB-OD2 3.43Å; A136-D139 PolarHBondContact O-N 3.39Å; A136-C140 PolarHBondContact O-N 3.28Å
137	P	97.4	Very high	94.7	Very high	38 Å²	38	30.8 Å²	30.8	25%	0.247	16%	0.164	C	C	.	.	H	α-helix	trans	-51.6	-37	-177.8	-35.3	39.5	0	0	0	115.8	Y100 A141 Y175	Y100-P137 VanDerWaalsContact CB-O 3.28Å; Y100-P137 WeakPolarHBondContact CB-O 3.24Å; Y100-P137 HydrophobicContact CD1-CB 3.74Å; Y100-P137 HydrophobicContact CD2-CB 4.29Å; Y100-P137 HydrophobicContact CE1-CB 3.58Å; Y100-P137 HydrophobicContact CE1-CG 4.06Å; Y100-P137 HydrophobicContact CE2-CB 4.1Å; Y100-P137 HydrophobicContact CE2-CG 4.22Å; Y100-P137 HydrophobicContact CG-CB 4.13Å; P137-A141 PolarHBondContact O-N 3.06Å; P137-Y175 WeakPolarHBondContact CB-OH 3.48Å
138	H	97.6	Very high	94.7	Very high	34 Å²	34	31 Å²	31	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-77.7	-35.1	-179.9	56.4	-77	0	0	0	112	A136 A141 V142 I157 K159 Y175	A136-H138 VanDerWaalsContact CB-CE1 3.41Å; A136-H138 WeakPolarHBondContact CB-CE1 3Å; A136-H138 PolarHBondContact O-N 3.11Å; H138-A141 PolarHBondContact O-N 3.29Å; H138-V142 VanDerWaalsContact O-CG2 3.25Å; H138-V142 WeakPolarHBondContact O-CG2 3.41Å; H138-V142 PolarHBondContact O-N 3.31Å; H138-I157 HydrophobicContact CB-CD1 3.87Å; H138-K159 PolarHBondContact CE1-NZ 2.88Å; H138-K159 VanDerWaalsContact NE2-CE 3.31Å; H138-K159 WeakPolarHBondContact NE2-CE 3.21Å; H138-K159 PolarHBondContact NE2-NZ 3.41Å; H138-Y175 HydrophobicContact CB-CE1 4.41Å; H138-Y175 HydrophobicContact CB-CE2 4.31Å; H138-Y175 PolarHBondContact N-OH 3.23Å
139	D	97.8	Very high	94.7	Very high	77 Å²	77	29.4 Å²	29.4	41%	0.412	16%	0.158	S	C	.	.	H	α-helix	trans	-67.7	-39.7	175.3	-65.6	-37.3	0	0	0	110.7	E135 A136 V142 R143	E135-D139 HydrophobicContact CG-CB 4.32Å; A136-D139 HydrophobicContact CB-CB 4.44Å; A136-D139 WeakPolarHBondContact CB-OD2 3.43Å; A136-D139 PolarHBondContact O-N 3.39Å; D139-V142 PolarHBondContact O-N 3.42Å; D139-R143 WeakPolarHBondContact O-CB 3.41Å; D139-R143 PolarHBondContact O-N 2.78Å
140	C	97.6	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-49.1	170.4	175.7	0	0	0	0	111.3	Y100 V131 E135 A136 V142 R143 E144	Y100-C140 HydrophobicContact CD2-CB 3.86Å; Y100-C140 HydrophobicContact CG-CB 4.33Å; V131-C140 HydrophobicContact CG2-CB 4.11Å; E135-C140 HydrophobicContact CG-CB 3.9Å; E135-C140 WeakPolarHBondContact OE2-CB 3.25Å; A136-C140 PolarHBondContact O-N 3.28Å; C140-V142 VanDerWaalsContact C-N 3.31Å; C140-V142 PolarHBondContact O-N 3.19Å; C140-R143 PolarHBondContact O-N 2.84Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 WeakPolarHBondContact O-CG 3.18Å; C140-E144 PolarHBondContact O-N 3.03Å
141	A	98.1	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-41.2	177.7	0	0	0	0	0	112.6	P137 H138 V145 I157 Y175	P137-A141 PolarHBondContact O-N 3.06Å; H138-A141 PolarHBondContact O-N 3.29Å; A141-V145 WeakPolarHBondContact O-CB 3.15Å; A141-V145 WeakPolarHBondContact O-CG2 3.49Å; A141-V145 PolarHBondContact O-N 2.92Å; A141-I157 HydrophobicContact CB-CD1 4.2Å; A141-Y175 HydrophobicContact CB-CD2 3.53Å; A141-Y175 HydrophobicContact CB-CE2 3.73Å
142	V	98.1	Very high	95.1	Very high	18 Å²	18	34 Å²	34	11%	0.109	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-48.5	176.2	170.3	0	0	0	0	110.9	H138 D139 C140 L146 I153 K154 I157	H138-V142 VanDerWaalsContact O-CG2 3.25Å; H138-V142 WeakPolarHBondContact O-CG2 3.41Å; H138-V142 PolarHBondContact O-N 3.31Å; D139-V142 PolarHBondContact O-N 3.42Å; C140-V142 VanDerWaalsContact C-N 3.31Å; C140-V142 PolarHBondContact O-N 3.19Å; V142-L146 VanDerWaalsContact O-CB 3.24Å; V142-L146 WeakPolarHBondContact O-CB 3.32Å; V142-L146 PolarHBondContact O-N 3.06Å; V142-I153 HydrophobicContact CB-CG1 4.34Å; V142-I153 HydrophobicContact CG2-CD1 4.43Å; V142-I153 HydrophobicContact CG2-CG1 3.93Å; V142-K154 HydrophobicContact CG1-CB 3.95Å; V142-K154 HydrophobicContact CG2-CB 4.39Å; V142-I157 HydrophobicContact CG2-CD1 4.26Å; V142-I157 HydrophobicContact CG2-CG2 4.24Å
143	R	97.1	Very high	95.5	Very high	28 Å²	28	33 Å²	33	11%	0.106	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-52.2	179.8	177.1	-179.7	55.9	69.8	3.7	111.5	K130 N132 E135 D139 C140 V145 L146 E147	K130-R143 PolarHBondContact O-NH2 2.9Å; N132-R143 VanDerWaalsContact ND2-CZ 3.27Å; N132-R143 PolarHBondContact ND2-NE 3.33Å; N132-R143 PolarHBondContact ND2-NH2 2.84Å; E135-R143 IonicContact OE1-CZ 3.21Å; E135-R143 IonicContact OE1-NE 2.74Å; E135-R143 PolarHBondContact OE1-NE 3.27Å; E135-R143 IonicContact OE1-NH2 2.81Å; E135-R143 IonicContact OE2-CZ 2.87Å; E135-R143 IonicContact OE2-NE 3.42Å; E135-R143 PolarHBondContact OE2-NE 3.03Å; E135-R143 IonicContact OE2-NH2 2.83Å; E135-R143 PolarHBondContact OE2-NH2 3.04Å; D139-R143 WeakPolarHBondContact O-CB 3.41Å; D139-R143 PolarHBondContact O-N 2.78Å; C140-R143 PolarHBondContact O-N 2.84Å; R143-V145 PolarHBondContact O-N 3.02Å; R143-L146 WeakPolarHBondContact O-CB 3.31Å; R143-L146 PolarHBondContact O-N 3Å; R143-E147 WeakPolarHBondContact CD-OE1 3.43Å; R143-E147 HydrophobicContact CG-CG 4.38Å; R143-E147 WeakPolarHBondContact CG-OE1 3.3Å; R143-E147 IonicContact NH1-OE1 2.74Å; R143-E147 IonicContact NH1-OE2 2.62Å; R143-E147 PolarHBondContact NH1-OE2 3.16Å; R143-E147 VanDerWaalsContact NH1-OE2 3.16Å; R143-E147 WeakPolarHBondContact O-CB 3.25Å; R143-E147 VanDerWaalsContact O-CG 3.32Å; R143-E147 WeakPolarHBondContact O-CG 3.47Å; R143-E147 PolarHBondContact O-N 2.72Å
144	E	96.7	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-44.6	-176.3	-68.2	-69.2	171.6	0	0	111.8	G129 K130 C140 L146 E147 E148 P343	G129-E144 WeakPolarHBondContact CA-OE1 3.26Å; G129-E144 VanDerWaalsContact CA-OE2 3.3Å; G129-E144 WeakPolarHBondContact CA-OE2 3.38Å; K130-E144 PolarHBondContact N-OE1 3.45Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 WeakPolarHBondContact O-CG 3.18Å; C140-E144 PolarHBondContact O-N 3.03Å; E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.81Å; E144-E147 PolarHBondContact O-N 2.86Å; E144-E148 WeakPolarHBondContact O-CB 3.49Å; E144-E148 PolarHBondContact O-N 3.2Å; E144-P343 WeakPolarHBondContact OE1-CB 3.44Å; E144-P343 WeakPolarHBondContact OE2-CB 3.43Å
145	V	97.2	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-40.1	177.2	172.8	0	0	0	0	111	A102 I104 P127 A141 R143 T149 I153	A102-V145 HydrophobicContact CB-CG2 3.63Å; I104-V145 HydrophobicContact CD1-CG1 3.83Å; P127-V145 HydrophobicContact CB-CG2 4.26Å; P127-V145 HydrophobicContact CG-CG2 4.22Å; A141-V145 WeakPolarHBondContact O-CB 3.15Å; A141-V145 WeakPolarHBondContact O-CG2 3.49Å; A141-V145 PolarHBondContact O-N 2.92Å; R143-V145 PolarHBondContact O-N 3.02Å; V145-T149 WeakPolarHBondContact O-CB 3.38Å; V145-T149 PolarHBondContact O-N 3.48Å; V145-T149 PolarHBondContact O-OG1 3.4Å; V145-I153 HydrophobicContact CB-CD1 4.11Å; V145-I153 HydrophobicContact CB-CG1 4.35Å; V145-I153 HydrophobicContact CG1-CD1 4.35Å; V145-I153 HydrophobicContact CG1-CG1 4.39Å; V145-I153 HydrophobicContact CG1-CG2 3.86Å; V145-I153 HydrophobicContact CG2-CD1 3.94Å
146	L	96.6	Very high	96.7	Very high	42 Å²	42	39.7 Å²	39.7	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-37.1	176.8	-177.1	62.9	0	0	0	112.3	V142 R143 E144 G150 F151 D152 K189	V142-L146 VanDerWaalsContact O-CB 3.24Å; V142-L146 WeakPolarHBondContact O-CB 3.32Å; V142-L146 PolarHBondContact O-N 3.06Å; R143-L146 WeakPolarHBondContact O-CB 3.31Å; R143-L146 PolarHBondContact O-N 3Å; E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.81Å; L146-G150 WeakPolarHBondContact O-CA 3.28Å; L146-G150 PolarHBondContact O-N 2.74Å; L146-F151 WeakPolarHBondContact CA-O 3.37Å; L146-D152 HydrophobicContact CD1-CB 4.12Å; L146-K189 VanDerWaalsContact CD1-NZ 3.32Å; L146-K189 HydrophobicContact CG-CD 4.37Å
147	E	93.7	Very high	96.8	Very high	32 Å²	32	39.6 Å²	39.6	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-69.3	-49.9	178	-75.7	168.6	-175.4	0	0	111.4	R143 E144 K189 T190 P343	R143-E147 WeakPolarHBondContact CD-OE1 3.43Å; R143-E147 HydrophobicContact CG-CG 4.38Å; R143-E147 WeakPolarHBondContact CG-OE1 3.3Å; R143-E147 IonicContact NH1-OE1 2.74Å; R143-E147 IonicContact NH1-OE2 2.62Å; R143-E147 PolarHBondContact NH1-OE2 3.16Å; R143-E147 VanDerWaalsContact NH1-OE2 3.16Å; R143-E147 WeakPolarHBondContact O-CB 3.25Å; R143-E147 VanDerWaalsContact O-CG 3.32Å; R143-E147 WeakPolarHBondContact O-CG 3.47Å; R143-E147 PolarHBondContact O-N 2.72Å; E144-E147 PolarHBondContact O-N 2.86Å; E147-K189 PolarHBondContact O-N 3.47Å; E147-T190 HydrophobicContact CB-CG2 4.33Å; E147-P343 WeakPolarHBondContact OE2-CB 3.46Å; E147-P343 WeakPolarHBondContact OE2-CD 3.43Å; E147-P343 WeakPolarHBondContact OE2-CG 3.35Å
148	E	94.9	Very high	96.7	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-78	-32.5	-175.1	-69.7	-169.4	152.2	0	0	113.6	P127 K128 E144 P188 I194 Q345	P127-E148 WeakPolarHBondContact CA-OE2 3.18Å; P127-E148 HydrophobicContact CB-CB 4.47Å; P127-E148 VanDerWaalsContact CB-OE2 3.31Å; P127-E148 WeakPolarHBondContact CB-OE2 3.3Å; K128-E148 PolarHBondContact N-OE2 3.03Å; E144-E148 WeakPolarHBondContact O-CB 3.49Å; E144-E148 PolarHBondContact O-N 3.2Å; E148-P188 WeakPolarHBondContact O-CA 3.22Å; E148-P188 WeakPolarHBondContact O-CB 3.44Å; E148-P188 WeakPolarHBondContact O-CG 3.4Å; E148-I194 HydrophobicContact CB-CD1 4.27Å; E148-I194 HydrophobicContact CB-CG1 3.94Å; E148-I194 HydrophobicContact CG-CD1 4.13Å; E148-I194 HydrophobicContact CG-CG1 4.15Å; E148-Q345 PolarHBondContact OE1-NE2 2.96Å
149	T	95.8	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-117.5	-16.1	-172.7	76.5	0	0	0	0	114.4	L113 V115 P127 V145 F151 F186 N187 I197	L113-T149 HydrophobicContact CD2-CG2 4.23Å; V115-T149 HydrophobicContact CG1-CG2 3.89Å; P127-T149 HydrophobicContact CB-CG2 3.82Å; P127-T149 HydrophobicContact CG-CG2 4.14Å; V145-T149 WeakPolarHBondContact O-CB 3.38Å; V145-T149 PolarHBondContact O-N 3.48Å; V145-T149 PolarHBondContact O-OG1 3.4Å; T149-F151 PolarHBondContact O-N 2.89Å; T149-F151 WeakPolarHBondContact OG1-CB 2.93Å; T149-F151 PolarHBondContact OG1-N 3.4Å; T149-F186 CarbonylContact O-C 3.33Å; T149-F186 VanDerWaalsContact O-CA 3.24Å; T149-F186 WeakPolarHBondContact O-CA 3.48Å; T149-F186 WeakPolarHBondContact O-CB 3.35Å; T149-N187 CarbonylContact C-O 3.57Å; T149-N187 CarbonylContact O-C 3.51Å; T149-N187 PolarHBondContact O-N 2.81Å; T149-I197 HydrophobicContact CG2-CD1 4.42Å
150	G	95.8	Very high	96.6	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	74.5	0.3	-172.6	0	0	0	0	0	114.6	L146 N187	L146-G150 WeakPolarHBondContact O-CA 3.28Å; L146-G150 PolarHBondContact O-N 2.74Å; G150-N187 VanDerWaalsContact CA-O 3.24Å; G150-N187 WeakPolarHBondContact CA-O 3.19Å; G150-N187 PolarHBondContact N-O 3.26Å
151	F	96.9	Very high	96.5	Very high	25 Å²	25	49.7 Å²	49.7	11%	0.11	25%	0.253	C	S	.	.			trans	-95.9	129.2	-178.4	-175.7	-113.5	0	0	0	111.5	I104 L146 T149 I153 V180 T184 F186	I104-F151 HydrophobicContact CD1-CD1 4.21Å; L146-F151 WeakPolarHBondContact CA-O 3.37Å; T149-F151 PolarHBondContact O-N 2.89Å; T149-F151 WeakPolarHBondContact OG1-CB 2.93Å; T149-F151 PolarHBondContact OG1-N 3.4Å; F151-I153 HydrophobicContact CD1-CG2 3.55Å; F151-I153 HydrophobicContact CE1-CG2 3.67Å; F151-V180 HydrophobicContact CE1-CG1 4.22Å; F151-V180 HydrophobicContact CE1-CG2 3.77Å; F151-V180 HydrophobicContact CE2-CG1 4.31Å; F151-V180 HydrophobicContact CZ-CB 4.5Å; F151-V180 HydrophobicContact CZ-CG1 3.86Å; F151-V180 HydrophobicContact CZ-CG2 3.79Å; F151-T184 HydrophobicContact CD2-CG2 3.75Å; F151-T184 HydrophobicContact CE2-CG2 3.89Å; F151-F186 HydrophobicContact CB-CD1 3.78Å; F151-F186 HydrophobicContact CB-CE1 3.66Å; F151-F186 HydrophobicContact CD1-CE1 4.24Å; F151-F186 HydrophobicContact CD2-CE1 4.24Å; F151-F186 HydrophobicContact CG-CD1 4.42Å; F151-F186 AromaticContact CG-CE1 3.81Å; F151-F186 HydrophobicContact CG-CE1 3.81Å
152	D	97	Very high	96.5	Very high	76 Å²	76	54 Å²	54	41%	0.406	27%	0.27	S	S	.	.			trans	-91.5	118.3	179	-172.6	-1	0	0	0	111.1	L146 K154	L146-D152 HydrophobicContact CD1-CB 4.12Å; D152-K154 WeakPolarHBondContact OD1-CB 2.95Å; D152-K154 PolarHBondContact OD1-N 2.88Å
153	I	97.4	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.			trans	-101.1	3.2	179.1	62.9	166	0	0	0	113.5	A102 V142 V145 F151 N155 R156 I157 I177	A102-I153 HydrophobicContact CB-CD1 3.87Å; V142-I153 HydrophobicContact CB-CG1 4.34Å; V142-I153 HydrophobicContact CG2-CD1 4.43Å; V142-I153 HydrophobicContact CG2-CG1 3.93Å; V145-I153 HydrophobicContact CB-CD1 4.11Å; V145-I153 HydrophobicContact CB-CG1 4.35Å; V145-I153 HydrophobicContact CG1-CD1 4.35Å; V145-I153 HydrophobicContact CG1-CG1 4.39Å; V145-I153 HydrophobicContact CG1-CG2 3.86Å; V145-I153 HydrophobicContact CG2-CD1 3.94Å; F151-I153 HydrophobicContact CD1-CG2 3.55Å; F151-I153 HydrophobicContact CE1-CG2 3.67Å; I153-N155 PolarHBondContact O-N 2.94Å; I153-N155 VanDerWaalsContact O-N 3.13Å; I153-R156 PolarHBondContact O-N 3.05Å; I153-I157 HydrophobicContact CD1-CD1 4.25Å; I153-I157 PolarHBondContact O-N 2.96Å; I153-I177 HydrophobicContact CB-CD1 4.4Å; I153-I177 HydrophobicContact CB-CG1 4.46Å; I153-I177 HydrophobicContact CD1-CD1 4.33Å; I153-I177 HydrophobicContact CD1-CG1 4.32Å; I153-I177 HydrophobicContact CG2-CG1 4.32Å; I153-I177 HydrophobicContact CG2-CG2 4.31Å
154	K	96.8	Very high	96.5	Very high	134 Å²	134	56.2 Å²	56.2	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.5	-173.9	-174	175.1	-176.8	176	0	114	V142 D152	V142-K154 HydrophobicContact CG1-CB 3.95Å; V142-K154 HydrophobicContact CG2-CB 4.39Å; D152-K154 WeakPolarHBondContact OD1-CB 2.95Å; D152-K154 PolarHBondContact OD1-N 2.88Å
155	N	96.3	Very high	96.3	Very high	156 Å²	156	59.3 Å²	59.3	83%	0.834	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	-179.3	-59.9	-33.6	0	0	0	113.5	I153	I153-N155 PolarHBondContact O-N 2.94Å; I153-N155 VanDerWaalsContact O-N 3.13Å
156	R	96.4	Very high	96.1	Very high	109 Å²	109	66.2 Å²	66.2	41%	0.411	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-19.2	-178.2	-63	-178.3	173.6	-120	2.1	112.9	I153 I177 G179	I153-R156 PolarHBondContact O-N 3.05Å; R156-I177 HydrophobicContact CB-CG2 3.86Å; R156-G179 PolarHBondContact NH1-O 2.91Å
157	I	96.8	Very high	95.5	Very high	30 Å²	30	66 Å²	66	15%	0.154	32%	0.323	C	S	.	.			trans	-72.6	130.3	-177	-167.4	165.9	0	0	0	111.4	H138 A141 V142 I153 Y175 I177	H138-I157 HydrophobicContact CB-CD1 3.87Å; A141-I157 HydrophobicContact CB-CD1 4.2Å; V142-I157 HydrophobicContact CG2-CD1 4.26Å; V142-I157 HydrophobicContact CG2-CG2 4.24Å; I153-I157 HydrophobicContact CD1-CD1 4.25Å; I153-I157 PolarHBondContact O-N 2.96Å; I157-Y175 HydrophobicContact CD1-CD1 4Å; I157-Y175 HydrophobicContact CD1-CD2 3.68Å; I157-Y175 HydrophobicContact CD1-CE1 4.44Å; I157-Y175 HydrophobicContact CD1-CE2 4.14Å; I157-Y175 HydrophobicContact CD1-CG 3.59Å; I157-Y175 HydrophobicContact CG1-CD1 3.93Å; I157-Y175 HydrophobicContact CG1-CD2 4.42Å; I157-Y175 HydrophobicContact CG1-CG 3.83Å; I157-I177 HydrophobicContact CB-CD1 4.02Å; I157-I177 HydrophobicContact CG1-CD1 4.23Å
158	C	95.9	Very high	95	Very high	57 Å²	57	70 Å²	70	39%	0.385	35%	0.351	S	S	.	.			trans	-107.6	124.8	169.2	-176.5	0	0	0	0	109.2	D160 V161 Y175	C158-D160 PolarHBondContact O-N 3.4Å; C158-V161 HydrophobicContact CB-CB 4.06Å; C158-V161 HydrophobicContact CB-CG2 3.91Å; C158-V161 PolarHBondContact O-N 3.11Å; C158-Y175 WeakPolarHBondContact O-CD1 3.45Å
159	K	96.1	Very high	94.3	Very high	121 Å²	121	75.7 Å²	75.7	53%	0.526	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.2	-172.6	-60.8	-172.7	-171.6	-166.7	0	113.3	H138 Y162	H138-K159 PolarHBondContact CE1-NZ 2.88Å; H138-K159 VanDerWaalsContact NE2-CE 3.31Å; H138-K159 WeakPolarHBondContact NE2-CE 3.21Å; H138-K159 PolarHBondContact NE2-NZ 3.41Å; K159-Y162 VanDerWaalsContact O-CD1 3.3Å; K159-Y162 WeakPolarHBondContact O-CD1 3.36Å; K159-Y162 WeakPolarHBondContact O-CE1 3.46Å
160	D	96.5	Very high	94.1	Very high	141 Å²	141	76.9 Å²	76.9	75%	0.754	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.6	-177	-53.9	-49	0	0	0	113.1	C158	C158-D160 PolarHBondContact O-N 3.4Å
161	V	96.9	Very high	94	Very high	42 Å²	42	78 Å²	78	26%	0.255	39%	0.386	S	S	.	.			trans	-109.4	90	-176.6	-172.5	0	0	0	0	110.1	C158 Y175 I176 W238	C158-V161 HydrophobicContact CB-CB 4.06Å; C158-V161 HydrophobicContact CB-CG2 3.91Å; C158-V161 PolarHBondContact O-N 3.11Å; V161-Y175 WeakPolarHBondContact O-CA 3.39Å; V161-I176 HydrophobicContact CG1-CB 3.99Å; V161-I176 HydrophobicContact CG1-CD1 4.27Å; V161-I176 HydrophobicContact CG1-CG1 4.38Å; V161-I176 PolarHBondContact O-N 3.36Å; V161-W238 HydrophobicContact CG1-CZ2 3.88Å
162	Y	97.9	Very high	94	Very high	92 Å²	92	77 Å²	77	36%	0.361	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.4	179.6	60.7	-96	0	0	0	112.3	K159 E164 R173 L174 Y175	K159-Y162 VanDerWaalsContact O-CD1 3.3Å; K159-Y162 WeakPolarHBondContact O-CD1 3.36Å; K159-Y162 WeakPolarHBondContact O-CE1 3.46Å; Y162-E164 HydrophobicContact CD2-CB 4.04Å; Y162-E164 HydrophobicContact CE2-CB 3.99Å; Y162-R173 HydrophobicContact CD2-CG 3.69Å; Y162-R173 HydrophobicContact CE2-CG 4.41Å; Y162-R173 HydrophobicContact CG-CG 3.87Å; Y162-L174 CarbonylContact C-O 3.54Å; Y162-L174 VanDerWaalsContact CA-O 3.25Å; Y162-L174 WeakPolarHBondContact CA-O 3.22Å; Y162-L174 WeakPolarHBondContact CB-O 3.44Å; Y162-Y175 HydrophobicContact CD1-CD1 4.42Å; Y162-Y175 HydrophobicContact CD1-CE1 4.09Å; Y162-Y175 HydrophobicContact CG-CE1 4.46Å
163	I	97.7	Very high	94	Very high	17 Å²	17	75.5 Å²	75.5	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.4	165.9	-62.9	161.5	0	0	0	107.4	I103 Q165 R173 L174 I176 F231 P234 L235	I103-I163 HydrophobicContact CD1-CD1 3.77Å; I163-Q165 HydrophobicContact CG2-CG 4.39Å; I163-R173 WeakPolarHBondContact O-CA 3.3Å; I163-L174 PolarHBondContact N-O 2.56Å; I163-L174 PolarHBondContact O-N 3.17Å; I163-I176 HydrophobicContact CD1-CD1 3.96Å; I163-I176 HydrophobicContact CD1-CG1 4.43Å; I163-I176 HydrophobicContact CG1-CD1 4.11Å; I163-F231 HydrophobicContact CB-CD1 4.29Å; I163-F231 HydrophobicContact CG2-CD1 3.73Å; I163-F231 HydrophobicContact CG2-CE1 4.38Å; I163-P234 HydrophobicContact CD1-CB 3.98Å; I163-P234 HydrophobicContact CG1-CB 4.18Å; I163-P234 HydrophobicContact CG2-CB 3.83Å; I163-P234 HydrophobicContact CG2-CG 4.24Å; I163-L235 HydrophobicContact CD1-CB 3.96Å; I163-L235 HydrophobicContact CD1-CD1 4.45Å
164	E	96.6	Very high	94.1	Very high	74 Å²	74	75.5 Å²	75.5	35%	0.346	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.6	177.7	-176.8	169.9	95.8	0	0	110.2	Y162 L171 V172 R173	Y162-E164 HydrophobicContact CD2-CB 4.04Å; Y162-E164 HydrophobicContact CE2-CB 3.99Å; E164-L171 HydrophobicContact CG-CD1 4.41Å; E164-L171 HydrophobicContact CG-CD2 4.39Å; E164-L171 HydrophobicContact CG-CG 4.19Å; E164-V172 CarbonylContact C-O 3.6Å; E164-V172 WeakPolarHBondContact CA-O 3.49Å; E164-R173 HydrophobicContact CB-CB 4.27Å; E164-R173 HydrophobicContact CB-CG 4.49Å; E164-R173 HydrophobicContact CG-CB 4.22Å; E164-R173 IonicContact OE2-CZ 3.14Å; E164-R173 IonicContact OE2-NE 3.74Å; E164-R173 PolarHBondContact OE2-NE 3.22Å; E164-R173 IonicContact OE2-NH2 2.69Å; E164-R173 PolarHBondContact OE2-NH2 3.29Å
165	Q	93.7	Very high	94.2	Very high	65 Å²	65	69.3 Å²	69.3	30%	0.304	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145	177	-64.6	-67.1	20.3	0	0	110.6	I163 I167 V172 P230 F231	I163-Q165 HydrophobicContact CG2-CG 4.39Å; Q165-I167 HydrophobicContact CB-CG1 4.27Å; Q165-V172 PolarHBondContact N-O 3.26Å; Q165-V172 PolarHBondContact O-N 3.31Å; Q165-P230 HydrophobicContact CG-CB 4.35Å; Q165-P230 PolarHBondContact NE2-O 2.93Å; Q165-P230 VanDerWaalsContact NE2-O 3.13Å; Q165-F231 HydrophobicContact CB-CE1 3.9Å; Q165-F231 HydrophobicContact CB-CZ 4.04Å; Q165-F231 HydrophobicContact CG-CD1 4.04Å; Q165-F231 HydrophobicContact CG-CE1 3.69Å; Q165-F231 HydrophobicContact CG-CZ 4.2Å
166	K	91.6	Very high	94.3	Very high	146 Å²	146	62 Å²	62	64%	0.635	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	111	170.3	-168.2	174.1	173.6	-170.3	0	109.1	D169 Q170	K166-D169 WeakPolarHBondContact CE-OD1 3.42Å; K166-D169 IonicContact NZ-OD1 3.65Å; K166-D169 PolarHBondContact NZ-OD1 3.41Å; K166-Q170 CarbonylContact C-O 3.58Å; K166-Q170 WeakPolarHBondContact CA-O 3.49Å
167	I	84.3	Confident	94.3	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.185	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.9	-176.8	-55.3	169.2	0	0	0	108	Q165 D169 Q170 V172 P230 F231	Q165-I167 HydrophobicContact CB-CG1 4.27Å; I167-D169 VanDerWaalsContact C-N 3.27Å; I167-D169 PolarHBondContact O-N 3.18Å; I167-Q170 PolarHBondContact N-O 2.97Å; I167-Q170 WeakPolarHBondContact O-CB 3.42Å; I167-Q170 PolarHBondContact O-N 3.2Å; I167-V172 HydrophobicContact CD1-CG2 4.17Å; I167-P230 HydrophobicContact CD1-CB 4.09Å; I167-P230 HydrophobicContact CD1-CG 3.8Å; I167-P230 HydrophobicContact CG1-CG 4.35Å; I167-F231 HydrophobicContact CD1-CE2 3.92Å; I167-F231 HydrophobicContact CD1-CZ 4.01Å
168	T	82.9	Confident	94.4	Very high	118 Å²	118	58 Å²	58	72%	0.724	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	49.3	179	-40.9	0	0	0	0	111.9	Q170	T168-Q170 PolarHBondContact O-N 3.47Å
169	D	81.8	Confident	94.4	Very high	123 Å²	123	56.9 Å²	56.9	66%	0.658	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-3.8	-175	-70	-48.1	0	0	0	118.4	K166 I167	K166-D169 WeakPolarHBondContact CE-OD1 3.42Å; K166-D169 IonicContact NZ-OD1 3.65Å; K166-D169 PolarHBondContact NZ-OD1 3.41Å; I167-D169 VanDerWaalsContact C-N 3.27Å; I167-D169 PolarHBondContact O-N 3.18Å
170	Q	90.3	Very high	94.4	Very high	24 Å²	24	51.1 Å²	51.1	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128	169.3	-165.4	172.4	49.5	0	0	111.2	M95 V97 K166 I167 T168 V172	M95-Q170 VanDerWaalsContact O-CB 3.3Å; M95-Q170 WeakPolarHBondContact O-CB 3.39Å; M95-Q170 WeakPolarHBondContact O-CG 3.35Å; V97-Q170 WeakPolarHBondContact O-CG 3.49Å; V97-Q170 PolarHBondContact O-NE2 3.23Å; K166-Q170 CarbonylContact C-O 3.58Å; K166-Q170 WeakPolarHBondContact CA-O 3.49Å; I167-Q170 PolarHBondContact N-O 2.97Å; I167-Q170 WeakPolarHBondContact O-CB 3.42Å; I167-Q170 PolarHBondContact O-N 3.2Å; T168-Q170 PolarHBondContact O-N 3.47Å; Q170-V172 HydrophobicContact CG-CG2 4.23Å
171	L	94.4	Very high	94.4	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.277	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.7	167	-175.3	145.7	0	0	0	109.4	P98 T99 Y100 E164 R173	P98-L171 CarbonylContact C-O 3.57Å; P98-L171 VanDerWaalsContact CA-O 3.3Å; P98-L171 WeakPolarHBondContact CA-O 3.39Å; P98-L171 HydrophobicContact CB-CB 4.3Å; P98-L171 HydrophobicContact CB-CD2 4.21Å; T99-L171 PolarHBondContact N-O 3.21Å; Y100-L171 HydrophobicContact CE1-CD2 3.87Å; E164-L171 HydrophobicContact CG-CD1 4.41Å; E164-L171 HydrophobicContact CG-CD2 4.39Å; E164-L171 HydrophobicContact CG-CG 4.19Å; L171-R173 HydrophobicContact CD2-CB 4.35Å
172	V	96.4	Very high	94.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.5	177.1	-173.6	0	0	0	0	108.5	T99 K128 E164 Q165 I167 Q170 L174 F231	T99-V172 WeakPolarHBondContact O-CA 3.33Å; T99-V172 WeakPolarHBondContact OG1-CG2 3.41Å; K128-V172 HydrophobicContact CD-CG1 3.95Å; E164-V172 CarbonylContact C-O 3.6Å; E164-V172 WeakPolarHBondContact CA-O 3.49Å; Q165-V172 PolarHBondContact N-O 3.26Å; Q165-V172 PolarHBondContact O-N 3.31Å; I167-V172 HydrophobicContact CD1-CG2 4.17Å; Q170-V172 HydrophobicContact CG-CG2 4.23Å; V172-L174 HydrophobicContact CG1-CD2 4.28Å; V172-L174 HydrophobicContact CG1-CG 4.38Å; V172-F231 HydrophobicContact CB-CZ 3.87Å; V172-F231 HydrophobicContact CG1-CE1 4.23Å; V172-F231 HydrophobicContact CG1-CE2 4.3Å; V172-F231 HydrophobicContact CG1-CZ 3.5Å
173	R	97.9	Very high	94.1	Very high	46 Å²	46	50.2 Å²	50.2	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.6	176.4	171.1	-168.5	-57.1	-170.5	-0.2	110.5	T99 Y100 G101 Y162 I163 E164 L171 Y175	T99-R173 PolarHBondContact O-N 2.92Å; Y100-R173 WeakPolarHBondContact CA-O 3.42Å; Y100-R173 HydrophobicContact CD1-CB 3.71Å; Y100-R173 HydrophobicContact CD1-CG 4.27Å; Y100-R173 HydrophobicContact CE1-CB 3.86Å; G101-R173 PolarHBondContact N-O 3.4Å; G101-R173 VanDerWaalsContact N-O 3.11Å; Y162-R173 HydrophobicContact CD2-CG 3.69Å; Y162-R173 HydrophobicContact CE2-CG 4.41Å; Y162-R173 HydrophobicContact CG-CG 3.87Å; I163-R173 WeakPolarHBondContact O-CA 3.3Å; E164-R173 HydrophobicContact CB-CB 4.27Å; E164-R173 HydrophobicContact CB-CG 4.49Å; E164-R173 HydrophobicContact CG-CB 4.22Å; E164-R173 IonicContact OE2-CZ 3.14Å; E164-R173 IonicContact OE2-NE 3.74Å; E164-R173 PolarHBondContact OE2-NE 3.22Å; E164-R173 IonicContact OE2-NH2 2.69Å; E164-R173 PolarHBondContact OE2-NH2 3.29Å; L171-R173 HydrophobicContact CD2-CB 4.35Å; R173-Y175 HydrophobicContact CG-CE2 4.4Å
174	L	98.5	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.9	179.9	-54.1	178.5	0	0	0	110.1	G101 I103 F126 K128 Y162 I163 V172 F231	G101-L174 WeakPolarHBondContact O-CA 3.35Å; I103-L174 HydrophobicContact CD1-CB 3.97Å; I103-L174 HydrophobicContact CD1-CD1 4.12Å; I103-L174 HydrophobicContact CG1-CB 3.84Å; I103-L174 HydrophobicContact CG1-CD1 3.87Å; F126-L174 HydrophobicContact CB-CD1 3.71Å; F126-L174 HydrophobicContact CB-CD2 4.35Å; F126-L174 HydrophobicContact CD2-CD1 3.51Å; F126-L174 HydrophobicContact CE2-CD1 4.38Å; F126-L174 HydrophobicContact CG-CD1 3.76Å; K128-L174 HydrophobicContact CB-CD2 3.95Å; K128-L174 HydrophobicContact CD-CD2 4.12Å; Y162-L174 CarbonylContact C-O 3.54Å; Y162-L174 VanDerWaalsContact CA-O 3.25Å; Y162-L174 WeakPolarHBondContact CA-O 3.22Å; Y162-L174 WeakPolarHBondContact CB-O 3.44Å; I163-L174 PolarHBondContact N-O 2.56Å; I163-L174 PolarHBondContact O-N 3.17Å; V172-L174 HydrophobicContact CG1-CD2 4.28Å; V172-L174 HydrophobicContact CG1-CG 4.38Å; L174-F231 HydrophobicContact CD1-CB 4.47Å; L174-F231 HydrophobicContact CD1-CD1 3.64Å; L174-F231 HydrophobicContact CD1-CD2 3.91Å; L174-F231 HydrophobicContact CD1-CE1 3.77Å; L174-F231 HydrophobicContact CD1-CE2 4.03Å; L174-F231 HydrophobicContact CD1-CG 3.73Å; L174-F231 HydrophobicContact CD1-CZ 3.97Å; L174-F231 HydrophobicContact CG-CD1 4.2Å; L174-F231 HydrophobicContact CG-CE1 3.98Å; L174-F231 HydrophobicContact CG-CZ 4.32Å
175	Y	98.6	Very high	93.8	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.9	175.4	-63.9	-88.3	0	0	0	110.6	G101 A102 I103 P137 H138 A141 I157 C158 V161 Y162 R173	G101-Y175 WeakPolarHBondContact O-CD2 3.41Å; G101-Y175 PolarHBondContact O-N 3.21Å; A102-Y175 CarbonylContact C-O 3.51Å; A102-Y175 VanDerWaalsContact CA-O 3.24Å; A102-Y175 WeakPolarHBondContact CA-O 3.33Å; I103-Y175 PolarHBondContact N-O 2.77Å; P137-Y175 WeakPolarHBondContact CB-OH 3.48Å; H138-Y175 HydrophobicContact CB-CE1 4.41Å; H138-Y175 HydrophobicContact CB-CE2 4.31Å; H138-Y175 PolarHBondContact N-OH 3.23Å; A141-Y175 HydrophobicContact CB-CD2 3.53Å; A141-Y175 HydrophobicContact CB-CE2 3.73Å; I157-Y175 HydrophobicContact CD1-CD1 4Å; I157-Y175 HydrophobicContact CD1-CD2 3.68Å; I157-Y175 HydrophobicContact CD1-CE1 4.44Å; I157-Y175 HydrophobicContact CD1-CE2 4.14Å; I157-Y175 HydrophobicContact CD1-CG 3.59Å; I157-Y175 HydrophobicContact CG1-CD1 3.93Å; I157-Y175 HydrophobicContact CG1-CD2 4.42Å; I157-Y175 HydrophobicContact CG1-CG 3.83Å; C158-Y175 WeakPolarHBondContact O-CD1 3.45Å; V161-Y175 WeakPolarHBondContact O-CA 3.39Å; Y162-Y175 HydrophobicContact CD1-CD1 4.42Å; Y162-Y175 HydrophobicContact CD1-CE1 4.09Å; Y162-Y175 HydrophobicContact CG-CE1 4.46Å; R173-Y175 HydrophobicContact CG-CE2 4.4Å
176	I	98.4	Very high	93.9	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.2	-179	-52.2	176.7	0	0	0	109	L105 V161 I163 P178 L235 W238	L105-I176 HydrophobicContact CD1-CG2 3.79Å; L105-I176 HydrophobicContact CG-CG2 4.42Å; V161-I176 HydrophobicContact CG1-CB 3.99Å; V161-I176 HydrophobicContact CG1-CD1 4.27Å; V161-I176 HydrophobicContact CG1-CG1 4.38Å; V161-I176 PolarHBondContact O-N 3.36Å; I163-I176 HydrophobicContact CD1-CD1 3.96Å; I163-I176 HydrophobicContact CD1-CG1 4.43Å; I163-I176 HydrophobicContact CG1-CD1 4.11Å; I176-P178 WeakPolarHBondContact O-CD 3.12Å; I176-L235 HydrophobicContact CD1-CD1 4.48Å; I176-W238 HydrophobicContact CB-CZ2 4.46Å; I176-W238 HydrophobicContact CD1-CB 4.16Å; I176-W238 HydrophobicContact CD1-CD2 3.5Å; I176-W238 VanDerWaalsContact CD1-CD2 3.5Å; I176-W238 HydrophobicContact CD1-CE3 3.99Å; I176-W238 HydrophobicContact CD1-CG 3.55Å; I176-W238 HydrophobicContact CD1-CZ2 4.43Å; I176-W238 HydrophobicContact CG2-CD2 4.33Å; I176-W238 HydrophobicContact CG2-CE3 3.96Å; I176-W238 HydrophobicContact CG2-CH2 3.67Å; I176-W238 HydrophobicContact CG2-CZ2 4.04Å; I176-W238 HydrophobicContact CG2-CZ3 3.63Å
177	I	98.1	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	91.8	-177.4	-50.2	-62	0	0	0	108.9	A102 I103 I104 L105 I153 R156 I157 V180	A102-I177 HydrophobicContact CB-CG1 3.91Å; I103-I177 PolarHBondContact O-N 2.89Å; I104-I177 HydrophobicContact CG1-CB 4.39Å; L105-I177 PolarHBondContact N-O 3Å; I153-I177 HydrophobicContact CB-CD1 4.4Å; I153-I177 HydrophobicContact CB-CG1 4.46Å; I153-I177 HydrophobicContact CD1-CD1 4.33Å; I153-I177 HydrophobicContact CD1-CG1 4.32Å; I153-I177 HydrophobicContact CG2-CG1 4.32Å; I153-I177 HydrophobicContact CG2-CG2 4.31Å; R156-I177 HydrophobicContact CB-CG2 3.86Å; I157-I177 HydrophobicContact CB-CD1 4.02Å; I157-I177 HydrophobicContact CG1-CD1 4.23Å; I177-V180 HydrophobicContact CG2-CG2 4.17Å
178	P	97	Very high	94.3	Very high	56 Å²	56	53.1 Å²	53.1	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	165	179	32.6	-34.8	0	0	0	113.2	L109 I176 W238	L109-P178 HydrophobicContact CD2-CB 3.6Å; I176-P178 WeakPolarHBondContact O-CD 3.12Å; P178-W238 HydrophobicContact CB-CH2 4.44Å; P178-W238 HydrophobicContact CG-CH2 4.37Å
179	G	96.1	Very high	94.4	Very high	33 Å²	33	53.8 Å²	53.8	34%	0.34	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73	34.5	166.1	0	0	0	0	0	114.5	L105 R156	L105-G179 PolarHBondContact O-N 3.34Å; R156-G179 PolarHBondContact NH1-O 2.91Å
180	V	97.3	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123	173	179.3	0	0	0	0	109.8	I104 L105 D106 F151 I177 K182 T184 F186 W199	I104-V180 HydrophobicContact CG2-CB 3.81Å; I104-V180 HydrophobicContact CG2-CG1 4.15Å; I104-V180 HydrophobicContact CG2-CG2 3.52Å; L105-V180 PolarHBondContact O-N 3.07Å; D106-V180 VanDerWaalsContact CA-O 3.3Å; D106-V180 WeakPolarHBondContact CA-O 3.07Å; F151-V180 HydrophobicContact CE1-CG1 4.22Å; F151-V180 HydrophobicContact CE1-CG2 3.77Å; F151-V180 HydrophobicContact CE2-CG1 4.31Å; F151-V180 HydrophobicContact CZ-CB 4.5Å; F151-V180 HydrophobicContact CZ-CG1 3.86Å; F151-V180 HydrophobicContact CZ-CG2 3.79Å; I177-V180 HydrophobicContact CG2-CG2 4.17Å; V180-K182 PolarHBondContact O-N 3.29Å; V180-T184 HydrophobicContact CG1-CG2 4.38Å; V180-F186 HydrophobicContact CG1-CZ 4.09Å; V180-W199 HydrophobicContact CB-CH2 4.21Å; V180-W199 HydrophobicContact CG1-CH2 4.3Å; V180-W199 HydrophobicContact CG1-CZ2 4.26Å
181	P	96.6	Very high	93.6	Very high	35 Å²	35	56 Å²	56	23%	0.227	28%	0.28	C	S	.	.			trans	-58.6	136.1	178.1	-26.8	36.3	0	0	0	112.1	D183 T184	P181-D183 WeakPolarHBondContact CB-OD1 3.35Å; P181-D183 PolarHBondContact O-N 3.37Å; P181-T184 WeakPolarHBondContact O-CB 3.32Å; P181-T184 PolarHBondContact O-N 3.41Å; P181-T184 VanDerWaalsContact O-N 3.1Å; P181-T184 PolarHBondContact O-OG1 2.74Å
182	K	92.7	Very high	92.8	Very high	101 Å²	101	56.9 Å²	56.9	44%	0.439	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.7	-178.5	-78.1	-171.5	-179.2	170.7	0	114	D106 N111 V180 W199	D106-K182 HydrophobicContact CB-CG 3.92Å; D106-K182 WeakPolarHBondContact OD2-CE 3.49Å; D106-K182 IonicContact OD2-NZ 3.92Å; D106-K182 PolarHBondContact OD2-NZ 3.01Å; D106-K182 VanDerWaalsContact OD2-NZ 3.14Å; N111-K182 WeakPolarHBondContact ND2-CE 3.42Å; N111-K182 PolarHBondContact ND2-NZ 3.39Å; V180-K182 PolarHBondContact O-N 3.29Å; K182-W199 PolarHBondContact O-NE1 2.94Å
183	D	94.3	Very high	92	Very high	120 Å²	120	57.8 Å²	57.8	64%	0.642	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-7.8	179	67.6	-30.3	0	0	0	113.4	P181 K185	P181-D183 WeakPolarHBondContact CB-OD1 3.35Å; P181-D183 PolarHBondContact O-N 3.37Å; D183-K185 PolarHBondContact O-N 2.62Å
184	T	94.8	Very high	91.6	Very high	34 Å²	34	56.3 Å²	56.3	21%	0.209	28%	0.281	C	S	.	.			trans	-48.4	128.6	172.5	-59.7	0	0	0	0	110.3	F151 V180 P181 F186	F151-T184 HydrophobicContact CD2-CG2 3.75Å; F151-T184 HydrophobicContact CE2-CG2 3.89Å; V180-T184 HydrophobicContact CG1-CG2 4.38Å; P181-T184 WeakPolarHBondContact O-CB 3.32Å; P181-T184 PolarHBondContact O-N 3.41Å; P181-T184 VanDerWaalsContact O-N 3.1Å; P181-T184 PolarHBondContact O-OG1 2.74Å; T184-F186 HydrophobicContact CG2-CD1 4.41Å; T184-F186 HydrophobicContact CG2-CE1 3.87Å; T184-F186 HydrophobicContact CG2-CE2 4.1Å; T184-F186 HydrophobicContact CG2-CZ 3.69Å; T184-F186 WeakPolarHBondContact O-CD2 3.39Å; T184-F186 WeakPolarHBondContact O-CE2 3.21Å
185	K	94.6	Very high	91.2	Very high	170 Å²	170	62.7 Å²	62.7	74%	0.739	31%	0.305	S	S	*	.			trans	-88.5	115.1	179.3	-58.9	-56	179.6	-166.9	0	110	D183	D183-K185 PolarHBondContact O-N 2.62Å
186	F	95.1	Very high	90.8	Very high	28 Å²	28	65.6 Å²	65.6	12%	0.123	32%	0.321	C	S	.	.			trans	-98.2	125.3	174.5	-58.1	-77.3	0	0	0	110	L113 T149 F151 V180 T184 I197 W199	L113-F186 HydrophobicContact CD1-CD2 3.82Å; L113-F186 HydrophobicContact CD1-CE2 3.54Å; L113-F186 HydrophobicContact CD1-CG 4.48Å; L113-F186 HydrophobicContact CD1-CZ 3.98Å; L113-F186 HydrophobicContact CD2-CD1 3.8Å; L113-F186 HydrophobicContact CD2-CD2 4.2Å; L113-F186 HydrophobicContact CD2-CE1 3.55Å; L113-F186 HydrophobicContact CD2-CE2 3.99Å; L113-F186 HydrophobicContact CD2-CG 4.11Å; L113-F186 HydrophobicContact CD2-CZ 3.65Å; L113-F186 HydrophobicContact CG-CE2 4.42Å; L113-F186 HydrophobicContact CG-CZ 4.44Å; T149-F186 CarbonylContact O-C 3.33Å; T149-F186 VanDerWaalsContact O-CA 3.24Å; T149-F186 WeakPolarHBondContact O-CA 3.48Å; T149-F186 WeakPolarHBondContact O-CB 3.35Å; F151-F186 HydrophobicContact CB-CD1 3.78Å; F151-F186 HydrophobicContact CB-CE1 3.66Å; F151-F186 HydrophobicContact CD1-CE1 4.24Å; F151-F186 HydrophobicContact CD2-CE1 4.24Å; F151-F186 HydrophobicContact CG-CD1 4.42Å; F151-F186 AromaticContact CG-CE1 3.81Å; F151-F186 HydrophobicContact CG-CE1 3.81Å; V180-F186 HydrophobicContact CG1-CZ 4.09Å; T184-F186 HydrophobicContact CG2-CD1 4.41Å; T184-F186 HydrophobicContact CG2-CE1 3.87Å; T184-F186 HydrophobicContact CG2-CE2 4.1Å; T184-F186 HydrophobicContact CG2-CZ 3.69Å; T184-F186 WeakPolarHBondContact O-CD2 3.39Å; T184-F186 WeakPolarHBondContact O-CE2 3.21Å; F186-I197 HydrophobicContact CB-CB 4.4Å; F186-I197 HydrophobicContact CB-CD1 3.73Å; F186-I197 HydrophobicContact CB-CG2 3.96Å; F186-I197 HydrophobicContact CD2-CG2 4.37Å; F186-I197 HydrophobicContact CG-CG2 4.19Å; F186-W199 AromaticContact CE2-CZ2 3.86Å; F186-W199 HydrophobicContact CE2-CZ2 3.86Å; F186-W199 AromaticContact CE2-NE1 3.95Å; F186-W199 AromaticContact CZ-CZ2 3.95Å; F186-W199 HydrophobicContact CZ-CZ2 3.95Å
187	N	92.9	Very high	90.6	Very high	116 Å²	116	66.8 Å²	66.8	62%	0.62	33%	0.327	S	S	*	.			trans	-137.1	110.8	179.2	-72.5	-33.1	0	0	0	108.6	T149 G150 K189	T149-N187 CarbonylContact C-O 3.57Å; T149-N187 CarbonylContact O-C 3.51Å; T149-N187 PolarHBondContact O-N 2.81Å; G150-N187 VanDerWaalsContact CA-O 3.24Å; G150-N187 WeakPolarHBondContact CA-O 3.19Å; G150-N187 PolarHBondContact N-O 3.26Å; N187-K189 PolarHBondContact O-N 2.73Å
188	P	91.1	Very high	90.5	Very high	50 Å²	50	71.6 Å²	71.6	33%	0.325	35%	0.35	S	S	.	.			trans	-54.7	139	175.2	-19.5	27.2	0	0	0	111.3	E148 I194 I197	E148-P188 WeakPolarHBondContact O-CA 3.22Å; E148-P188 WeakPolarHBondContact O-CB 3.44Å; E148-P188 WeakPolarHBondContact O-CG 3.4Å; P188-I194 HydrophobicContact CB-CB 4.13Å; P188-I194 HydrophobicContact CG-CB 3.77Å; P188-I194 HydrophobicContact CG-CG2 3.98Å; P188-I197 HydrophobicContact CG-CD1 3.91Å
189	K	86	Confident	90.5	Very high	133 Å²	133	71.2 Å²	71.2	58%	0.578	34%	0.341	S	S	*	.	S	Bend	trans	-85.4	-22.5	174.6	-66.3	-173.4	178.1	-178	0	112	L146 E147 N187	L146-K189 VanDerWaalsContact CD1-NZ 3.32Å; L146-K189 HydrophobicContact CG-CD 4.37Å; E147-K189 PolarHBondContact O-N 3.47Å; N187-K189 PolarHBondContact O-N 2.73Å
190	T	77.9	Confident	90.4	Very high	22 Å²	22	70.4 Å²	70.4	14%	0.135	33%	0.328	C	S	.	.	S	Bend	trans	-94.4	143.9	-177.3	55.8	0	0	0	0	112.1	E147 E193	E147-T190 HydrophobicContact CB-CG2 4.33Å; T190-E193 WeakPolarHBondContact CB-OE2 2.97Å; T190-E193 VanDerWaalsContact CG2-OE2 3.26Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.47Å; T190-E193 WeakPolarHBondContact OG1-CB 3.34Å; T190-E193 PolarHBondContact OG1-OE2 3.32Å
191	R	76.1	Confident	90.3	Very high	170 Å²	170	72.1 Å²	72.1	64%	0.642	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	135.2	-178.3	-69.3	-178	178.7	179.1	0.6	110.6	E193 R342	R191-E193 PolarHBondContact O-N 3.13Å; R191-R342 PolarHBondContact O-NH1 2.81Å
192	K	77.8	Confident	90.2	Very high	72 Å²	72	70.7 Å²	70.7	31%	0.313	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.6	175.2	-56.6	178.7	-169.9	149.7	0	113.9	L47 D48 Y118	L47-K192 PolarHBondContact O-NZ 3.07Å; D48-K192 WeakPolarHBondContact OD1-CD 3.45Å; D48-K192 WeakPolarHBondContact OD1-CE 3.4Å; D48-K192 IonicContact OD1-NZ 2.69Å; D48-K192 PolarHBondContact OD1-NZ 3.14Å; Y118-K192 VanDerWaalsContact CB-C 3.42Å; Y118-K192 WeakPolarHBondContact CB-O 3.3Å; Y118-K192 HydrophobicContact CD1-CB 3.83Å; Y118-K192 WeakPolarHBondContact CD1-O 3.34Å; Y118-K192 HydrophobicContact CD2-CB 4.3Å; Y118-K192 HydrophobicContact CE1-CB 3.87Å; Y118-K192 HydrophobicContact CE1-CD 4.33Å; Y118-K192 HydrophobicContact CE1-CG 4.08Å; Y118-K192 HydrophobicContact CE2-CB 4.33Å; Y118-K192 HydrophobicContact CE2-CG 4.34Å; Y118-K192 HydrophobicContact CG-CB 4.06Å; Y118-K192 VanDerWaalsContact CG-O 3.3Å
193	E	80.6	Confident	90	Very high	21 Å²	21	73 Å²	73	10%	0.098	34%	0.342	C	S	.	.	S	Bend	trans	-107.2	-53.7	176.7	-178.3	166.4	-158.9	0	0	111	G117 Y118 T190 R191 Q345	G117-E193 CarbonylContact C-O 3.48Å; G117-E193 WeakPolarHBondContact CA-O 3.32Å; Y118-E193 VanDerWaalsContact CB-O 3.3Å; Y118-E193 WeakPolarHBondContact CB-O 3.44Å; Y118-E193 PolarHBondContact N-O 3.16Å; T190-E193 WeakPolarHBondContact CB-OE2 2.97Å; T190-E193 VanDerWaalsContact CG2-OE2 3.26Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.47Å; T190-E193 WeakPolarHBondContact OG1-CB 3.34Å; T190-E193 PolarHBondContact OG1-OE2 3.32Å; R191-E193 PolarHBondContact O-N 3.13Å; E193-Q345 PolarHBondContact OE1-OE1 3.28Å
194	I	89.6	Confident	89.6	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.8	174.3	-56.9	-53.5	0	0	0	109.9	V115 E148 P188 N196 I197	V115-I194 HydrophobicContact CB-CD1 4.07Å; V115-I194 HydrophobicContact CB-CG2 4.17Å; V115-I194 HydrophobicContact CG2-CD1 4.05Å; E148-I194 HydrophobicContact CB-CD1 4.27Å; E148-I194 HydrophobicContact CB-CG1 3.94Å; E148-I194 HydrophobicContact CG-CD1 4.13Å; E148-I194 HydrophobicContact CG-CG1 4.15Å; P188-I194 HydrophobicContact CB-CB 4.13Å; P188-I194 HydrophobicContact CG-CB 3.77Å; P188-I194 HydrophobicContact CG-CG2 3.98Å; I194-N196 WeakPolarHBondContact CG2-O 3.44Å; I194-I197 HydrophobicContact CG2-CD1 4.28Å; I194-I197 HydrophobicContact CG2-CG1 3.68Å
195	R	88.7	Confident	89.3	Confident	133 Å²	133	69.2 Å²	69.2	50%	0.502	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-51.9	177.2	-159.4	-172.4	174	178.6	-3.7	111.5	Q116 Y118	Q116-R195 HydrophobicContact CG-CB 4.28Å; Q116-R195 PolarHBondContact O-N 2.77Å; Y118-R195 HydrophobicContact CD2-CG 4.47Å
196	N	91.5	Very high	88.9	Confident	64 Å²	64	61.1 Å²	61.1	34%	0.342	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150	-173.8	-65.1	28.5	0	0	0	109.5	Q116 W124 I194	Q116-N196 HydrophobicContact CB-CB 4.23Å; Q116-N196 PolarHBondContact N-O 2.95Å; W124-N196 HydrophobicContact CH2-CB 3.54Å; W124-N196 HydrophobicContact CZ2-CB 4.27Å; W124-N196 HydrophobicContact CZ3-CB 4.2Å; I194-N196 WeakPolarHBondContact CG2-O 3.44Å
197	I	94.8	Very high	88.2	Confident	28 Å²	28	61.7 Å²	61.7	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.4	171.8	-54.2	-179.8	0	0	0	106.2	L113 V115 T149 F186 P188 I194	L113-I197 HydrophobicContact CD1-CG2 3.72Å; L113-I197 HydrophobicContact CD2-CG2 3.92Å; L113-I197 HydrophobicContact CG-CG2 3.81Å; V115-I197 HydrophobicContact CG1-CG1 4.16Å; V115-I197 HydrophobicContact CG1-CG2 4.36Å; T149-I197 HydrophobicContact CG2-CD1 4.42Å; F186-I197 HydrophobicContact CB-CB 4.4Å; F186-I197 HydrophobicContact CB-CD1 3.73Å; F186-I197 HydrophobicContact CB-CG2 3.96Å; F186-I197 HydrophobicContact CD2-CG2 4.37Å; F186-I197 HydrophobicContact CG-CG2 4.19Å; P188-I197 HydrophobicContact CG-CD1 3.91Å; I194-I197 HydrophobicContact CG2-CD1 4.28Å; I194-I197 HydrophobicContact CG2-CG1 3.68Å
198	E	95.1	Very high	87.4	Confident	102 Å²	102	61 Å²	61	48%	0.477	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.8	-174.6	-69.7	-69	173.2	0	0	111.4	L114 W124 F200	L114-E198 PolarHBondContact N-O 3.42Å; L114-E198 PolarHBondContact O-N 3.06Å; W124-E198 HydrophobicContact CH2-CB 3.82Å; W124-E198 HydrophobicContact CH2-CG 3.6Å; W124-E198 HydrophobicContact CZ3-CB 3.92Å; W124-E198 HydrophobicContact CZ3-CG 4.16Å; E198-F200 HydrophobicContact CB-CD2 4.3Å; E198-F200 HydrophobicContact CB-CE2 3.62Å; E198-F200 HydrophobicContact CB-CZ 4.14Å; E198-F200 WeakPolarHBondContact O-CD2 3.45Å
199	W	96.4	Very high	86.4	Confident	48 Å²	48	66.7 Å²	66.7	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.6	171	-71.5	106.1	0	0	0	110.5	I104 D106 N111 L113 V180 K182 F186	I104-W199 HydrophobicContact CG2-CH2 3.98Å; D106-W199 HydrophobicContact CB-CE3 4.43Å; D106-W199 HydrophobicContact CB-CH2 4.24Å; D106-W199 HydrophobicContact CB-CZ3 4.05Å; N111-W199 HydrophobicContact CB-CB 4.42Å; N111-W199 HydrophobicContact CB-CE3 4.03Å; L113-W199 HydrophobicContact CB-CE3 4.11Å; L113-W199 HydrophobicContact CB-CH2 4.26Å; L113-W199 HydrophobicContact CB-CZ3 3.95Å; L113-W199 HydrophobicContact CD1-CD2 3.8Å; L113-W199 HydrophobicContact CD1-CE3 4.21Å; L113-W199 HydrophobicContact CD1-CG 4.22Å; L113-W199 HydrophobicContact CD1-CH2 4.43Å; L113-W199 HydrophobicContact CD1-CZ2 4.04Å; L113-W199 HydrophobicContact CD1-CZ3 4.5Å; V180-W199 HydrophobicContact CB-CH2 4.21Å; V180-W199 HydrophobicContact CG1-CH2 4.3Å; V180-W199 HydrophobicContact CG1-CZ2 4.26Å; K182-W199 PolarHBondContact O-NE1 2.94Å; F186-W199 AromaticContact CE2-CZ2 3.86Å; F186-W199 HydrophobicContact CE2-CZ2 3.86Å; F186-W199 AromaticContact CE2-NE1 3.95Å; F186-W199 AromaticContact CZ-CZ2 3.95Å; F186-W199 HydrophobicContact CZ-CZ2 3.95Å
200	F	95	Very high	85.4	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.066	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.9	177.3	-72.1	-93.1	0	0	0	111.6	N111 A112 L114 W124 E198 I202 L205 L218 L220 F225	N111-F200 CarbonylContact C-O 3.12Å; N111-F200 VanDerWaalsContact CA-O 3.28Å; N111-F200 WeakPolarHBondContact CA-O 3.23Å; A112-F200 PolarHBondContact N-O 2.83Å; A112-F200 PolarHBondContact O-N 3.22Å; L114-F200 HydrophobicContact CB-CD2 3.72Å; L114-F200 HydrophobicContact CB-CE2 3.88Å; L114-F200 HydrophobicContact CD1-CB 4.18Å; L114-F200 HydrophobicContact CD1-CD2 3.62Å; L114-F200 HydrophobicContact CD1-CE2 4.14Å; L114-F200 HydrophobicContact CD1-CG 3.9Å; L114-F200 HydrophobicContact CG-CD2 3.78Å; L114-F200 HydrophobicContact CG-CE2 4.37Å; L114-F200 HydrophobicContact CG-CG 4.41Å; W124-F200 AromaticContact CD2-CE2 3.84Å; W124-F200 HydrophobicContact CD2-CE2 3.84Å; W124-F200 AromaticContact CD2-CZ 3.68Å; W124-F200 HydrophobicContact CD2-CZ 3.68Å; W124-F200 AromaticContact CE2-CZ 3.71Å; W124-F200 AromaticContact CE3-CE2 3.52Å; W124-F200 HydrophobicContact CE3-CE2 3.52Å; W124-F200 AromaticContact CE3-CZ 3.84Å; W124-F200 HydrophobicContact CE3-CZ 3.84Å; W124-F200 HydrophobicContact CG-CZ 4.23Å; W124-F200 HydrophobicContact CH2-CE2 4.1Å; W124-F200 HydrophobicContact CH2-CZ 4.04Å; W124-F200 HydrophobicContact CZ2-CE2 4.4Å; W124-F200 AromaticContact CZ2-CZ 3.91Å; W124-F200 HydrophobicContact CZ2-CZ 3.91Å; W124-F200 AromaticContact CZ3-CE2 3.67Å; W124-F200 HydrophobicContact CZ3-CE2 3.67Å; W124-F200 HydrophobicContact CZ3-CZ 4.03Å; E198-F200 HydrophobicContact CB-CD2 4.3Å; E198-F200 HydrophobicContact CB-CE2 3.62Å; E198-F200 HydrophobicContact CB-CZ 4.14Å; E198-F200 WeakPolarHBondContact O-CD2 3.45Å; F200-I202 PolarHBondContact O-N 2.99Å; F200-L205 HydrophobicContact CB-CD1 4.36Å; F200-L205 HydrophobicContact CB-CD2 3.88Å; F200-L205 HydrophobicContact CB-CG 4.31Å; F200-L205 HydrophobicContact CD1-CD2 4.39Å; F200-L205 HydrophobicContact CG-CD2 4.3Å; F200-L218 HydrophobicContact CD1-CD1 4.13Å; F200-L220 HydrophobicContact CE1-CD1 4.14Å; F200-F225 AromaticContact CD1-CE1 3.92Å; F200-F225 HydrophobicContact CD1-CE1 3.92Å; F200-F225 HydrophobicContact CD1-CZ 4.05Å; F200-F225 AromaticContact CE1-CE1 3.8Å; F200-F225 HydrophobicContact CE1-CE1 3.8Å; F200-F225 AromaticContact CE1-CZ 3.76Å; F200-F225 HydrophobicContact CE1-CZ 3.76Å; F200-F225 HydrophobicContact CG-CE1 4.45Å; F200-F225 HydrophobicContact CZ-CE1 4.24Å; F200-F225 HydrophobicContact CZ-CZ 4.47Å
201	P	94.9	Very high	85.1	Confident	36 Å²	36	67 Å²	67	23%	0.234	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	123.6	172.5	-22.7	34	0	0	0	110.9	E110 N111 E203 K204 L205	E110-P201 CarbonylContact O-C 3.6Å; E110-P201 WeakPolarHBondContact O-CA 3.4Å; N111-P201 WeakPolarHBondContact OD1-CA 3.46Å; N111-P201 WeakPolarHBondContact OD1-CG 3.36Å; P201-E203 PolarHBondContact O-N 3.46Å; P201-K204 HydrophobicContact CB-CB 4.27Å; P201-K204 HydrophobicContact CB-CD 3.98Å; P201-K204 HydrophobicContact CB-CG 4Å; P201-K204 HydrophobicContact CG-CD 3.96Å; P201-K204 PolarHBondContact O-N 3.41Å; P201-L205 PolarHBondContact O-N 2.98Å
202	I	93.4	Very high	84.6	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.031	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.1	-36.2	-173.3	-64.3	166.3	0	0	0	111.1	L105 E110 A112 F200 K204 L205 L235 R236 I239	L105-I202 HydrophobicContact CD2-CD1 3.72Å; E110-I202 WeakPolarHBondContact O-CG1 2.99Å; E110-I202 PolarHBondContact O-N 2.94Å; A112-I202 HydrophobicContact CB-CD1 4.34Å; A112-I202 HydrophobicContact CB-CG1 3.92Å; F200-I202 PolarHBondContact O-N 2.99Å; I202-K204 PolarHBondContact O-N 2.9Å; I202-L205 PolarHBondContact O-N 3.07Å; I202-L235 HydrophobicContact CD1-CD2 4.4Å; I202-L235 HydrophobicContact CG2-CD2 4.39Å; I202-R236 HydrophobicContact CG2-CG 3.88Å; I202-R236 PolarHBondContact O-NE 3.33Å; I202-R236 PolarHBondContact O-NH2 3.47Å; I202-I239 HydrophobicContact CD1-CD1 3.56Å; I202-I239 HydrophobicContact CG2-CD1 4.47Å
203	E	89.4	Confident	84.1	Confident	150 Å²	150	62 Å²	62	70%	0.701	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.1	-26.5	176.2	-62	-171.9	166	0	0	113.6	P201 R236	P201-E203 PolarHBondContact O-N 3.46Å; E203-R236 PolarHBondContact O-NH2 2.99Å; E203-R236 VanDerWaalsContact O-NH2 3.17Å
204	K	86.6	Confident	83.2	Confident	74 Å²	74	61 Å²	61	32%	0.322	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-90	-10.2	-179.4	-61.5	-176.6	-175.2	176.9	0	112.7	P201 I202 K217 L218	P201-K204 HydrophobicContact CB-CB 4.27Å; P201-K204 HydrophobicContact CB-CD 3.98Å; P201-K204 HydrophobicContact CB-CG 4Å; P201-K204 HydrophobicContact CG-CD 3.96Å; P201-K204 PolarHBondContact O-N 3.41Å; I202-K204 PolarHBondContact O-N 2.9Å; K204-K217 HydrophobicContact CD-CB 4.02Å; K204-K217 HydrophobicContact CG-CB 4.14Å; K204-K217 HydrophobicContact CG-CD 3.99Å; K204-L218 HydrophobicContact CB-CD1 3.9Å; K204-L218 HydrophobicContact CB-CD2 4.31Å; K204-L218 HydrophobicContact CB-CG 4.02Å; K204-L218 HydrophobicContact CD-CD2 3.81Å; K204-L218 HydrophobicContact CD-CG 4.21Å
205	L	88.1	Confident	81.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-74.9	141.3	176.1	-65.7	175.6	0	0	0	111	L114 F200 P201 I202 F225 I232 R236	L114-L205 HydrophobicContact CD1-CD1 4.39Å; L114-L205 HydrophobicContact CD1-CD2 3.9Å; F200-L205 HydrophobicContact CB-CD1 4.36Å; F200-L205 HydrophobicContact CB-CD2 3.88Å; F200-L205 HydrophobicContact CB-CG 4.31Å; F200-L205 HydrophobicContact CD1-CD2 4.39Å; F200-L205 HydrophobicContact CG-CD2 4.3Å; P201-L205 PolarHBondContact O-N 2.98Å; I202-L205 PolarHBondContact O-N 3.07Å; L205-F225 HydrophobicContact CD2-CD1 3.74Å; L205-F225 HydrophobicContact CD2-CE1 3.72Å; L205-F225 HydrophobicContact CD2-CG 4.44Å; L205-F225 HydrophobicContact CD2-CZ 4.39Å; L205-I232 HydrophobicContact CB-CD1 3.89Å; L205-I232 HydrophobicContact CB-CG1 4.06Å; L205-I232 HydrophobicContact CB-CG2 4.15Å; L205-I232 HydrophobicContact CD1-CD1 3.62Å; L205-I232 HydrophobicContact CG-CD1 4.36Å; L205-R236 PolarHBondContact O-NH2 2.91Å
206	P	85.5	Confident	80.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.			trans	-72.6	140.6	-177.6	26.8	-26.4	0	0	0	111.3	D211 P214 F225 I229 I232	P206-D211 WeakPolarHBondContact CA-OD2 3.36Å; P206-D211 HydrophobicContact CB-CB 3.76Å; P206-P214 HydrophobicContact CB-CG 3.6Å; P206-P214 VanDerWaalsContact CD-CG 3.48Å; P206-P214 HydrophobicContact CG-CG 3.57Å; P206-F225 HydrophobicContact CG-CB 3.64Å; P206-F225 HydrophobicContact CG-CD2 4.19Å; P206-F225 HydrophobicContact CG-CG 4.16Å; P206-I229 HydrophobicContact CB-CD1 4.33Å; P206-I229 HydrophobicContact CB-CG1 4.16Å; P206-I229 HydrophobicContact CG-CD1 4.08Å; P206-I229 HydrophobicContact CG-CG1 3.75Å; P206-I232 WeakPolarHBondContact O-CG1 3.34Å
207	C	81.6	Confident	79.5	Confident	39 Å²	39	67.5 Å²	67.5	26%	0.264	33%	0.329	S	S	.	.	S	Bend	trans	-95.8	-9.8	174.8	-69	0	0	0	0	113.6	D211 R236	C207-D211 PolarHBondContact N-OD2 3.13Å; C207-R236 PolarHBondContact SG-NH1 3.29Å
208	H	76	Confident	78.4	Confident	103 Å²	103	68.6 Å²	68.6	48%	0.477	34%	0.335	S	S	.	.	S	Bend	trans	-154	160.2	179.3	51.4	-78.3	0	0	0	110.2	N210 D211	H208-N210 PolarHBondContact O-N 3.47Å; H208-D211 PolarHBondContact CD2-N 3.25Å; H208-D211 IonicContact CE1-OD2 2.99Å; H208-D211 IonicContact ND1-OD2 3.66Å; H208-D211 WeakPolarHBondContact O-CB 3.36Å; H208-D211 PolarHBondContact O-N 2.98Å
209	R	68.6	Low	77.2	Confident	169 Å²	169	66.8 Å²	66.8	64%	0.638	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.9	-173	-65.5	-177.9	-176.3	-176.6	1.7	114.2	F226 I229	R209-F226 HydrophobicContact CG-CD2 4.39Å; R209-F226 HydrophobicContact CG-CE2 4.44Å; R209-F226 VanDerWaalsContact CZ-CZ 3.49Å; R209-F226 VanDerWaalsContact NH2-CE2 3.28Å; R209-I229 HydrophobicContact CG-CD1 4.4Å
210	N	66.3	Low	76	Confident	141 Å²	141	66.1 Å²	66.1	75%	0.754	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	5.6	-179.6	-60.5	-18.4	0	0	0	113	H208 M212	H208-N210 PolarHBondContact O-N 3.47Å; N210-M212 PolarHBondContact O-N 3.2Å
211	D	70.3	Confident	74.8	Confident	19 Å²	19	67.2 Å²	67.2	10%	0.102	36%	0.356	C	S	.	.			trans	-73	108.3	-179.3	-170.2	-18.1	0	0	0	110.2	P206 C207 H208 T213 P214 P222	P206-D211 WeakPolarHBondContact CA-OD2 3.36Å; P206-D211 HydrophobicContact CB-CB 3.76Å; C207-D211 PolarHBondContact N-OD2 3.13Å; H208-D211 PolarHBondContact CD2-N 3.25Å; H208-D211 IonicContact CE1-OD2 2.99Å; H208-D211 IonicContact ND1-OD2 3.66Å; H208-D211 WeakPolarHBondContact O-CB 3.36Å; H208-D211 PolarHBondContact O-N 2.98Å; D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 3.08Å; D211-T213 WeakPolarHBondContact OD1-CB 3.06Å; D211-T213 PolarHBondContact OD1-N 3.32Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; D211-P214 WeakPolarHBondContact O-CD 3.46Å; D211-P222 VanDerWaalsContact O-CB 3.28Å; D211-P222 WeakPolarHBondContact O-CB 3.37Å; D211-P222 WeakPolarHBondContact O-CG 3.18Å
212	M	67.4	Low	73.2	Confident	96 Å²	96	66.1 Å²	66.1	47%	0.473	35%	0.348	S	S	.	.			trans	-82.6	0	-177.6	-67.2	-71.4	-86.7	0	0	113.4	N210 P214 K215 S216 P222	N210-M212 PolarHBondContact O-N 3.2Å; M212-P214 VanDerWaalsContact C-N 3.32Å; M212-K215 HydrophobicContact CE-CD 3.34Å; M212-K215 WeakPolarHBondContact O-CB 3.44Å; M212-K215 PolarHBondContact O-N 3.43Å; M212-K215 HydrophobicContact SD-CD 4.18Å; M212-S216 PolarHBondContact O-N 2.96Å; M212-P222 HydrophobicContact SD-CG 4.15Å
213	T	66.7	Low	72.3	Confident	43 Å²	43	71.3 Å²	71.3	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-49.5	-43.3	178	-56.4	0	0	0	0	113.5	D211 K215 S216 K217	D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 3.08Å; D211-T213 WeakPolarHBondContact OD1-CB 3.06Å; D211-T213 PolarHBondContact OD1-N 3.32Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; T213-K215 VanDerWaalsContact C-N 3.32Å; T213-K215 PolarHBondContact O-N 3.37Å; T213-S216 PolarHBondContact O-N 3.18Å; T213-K217 HydrophobicContact CG2-CD 3.84Å; T213-K217 HydrophobicContact CG2-CG 4.33Å; T213-K217 WeakPolarHBondContact O-CB 3.36Å; T213-K217 PolarHBondContact O-N 3.06Å
214	P	61.5	Low	71.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.6	-33.7	177.4	-19.7	33.2	0	0	0	112.8	P206 D211 M212 S216 L218 G219 L220 P222 F225	P206-P214 HydrophobicContact CB-CG 3.6Å; P206-P214 VanDerWaalsContact CD-CG 3.48Å; P206-P214 HydrophobicContact CG-CG 3.57Å; D211-P214 WeakPolarHBondContact O-CD 3.46Å; M212-P214 VanDerWaalsContact C-N 3.32Å; P214-S216 VanDerWaalsContact C-N 3.35Å; P214-L218 HydrophobicContact CB-CD1 4.47Å; P214-L218 CarbonylContact O-C 3.54Å; P214-L218 VanDerWaalsContact O-CA 3.32Å; P214-L218 WeakPolarHBondContact O-CA 3.4Å; P214-L218 VanDerWaalsContact O-CB 3.31Å; P214-L218 WeakPolarHBondContact O-CB 3.45Å; P214-L218 PolarHBondContact O-N 3.06Å; P214-G219 PolarHBondContact O-N 3.37Å; P214-L220 CarbonylContact C-O 3.5Å; P214-L220 PolarHBondContact O-N 3.46Å; P214-P222 HydrophobicContact CG-CB 4.47Å; P214-P222 HydrophobicContact CG-CG 4.47Å; P214-F225 HydrophobicContact CB-CD2 4.18Å; P214-F225 HydrophobicContact CB-CE2 3.95Å; P214-F225 HydrophobicContact CG-CD2 4.4Å
215	K	59.3	Low	71.7	Confident	124 Å²	124	65.2 Å²	65.2	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-67.6	-40.4	179.6	-166	-177.3	-177.6	-179.6	0	110.7	M212 T213 G219 L220	M212-K215 HydrophobicContact CE-CD 3.34Å; M212-K215 WeakPolarHBondContact O-CB 3.44Å; M212-K215 PolarHBondContact O-N 3.43Å; M212-K215 HydrophobicContact SD-CD 4.18Å; T213-K215 VanDerWaalsContact C-N 3.32Å; T213-K215 PolarHBondContact O-N 3.37Å; K215-G219 WeakPolarHBondContact O-CA 3.43Å; K215-G219 PolarHBondContact O-N 3.35Å; K215-L220 WeakPolarHBondContact CA-O 3.35Å; K215-L220 PolarHBondContact N-O 3.07Å
216	S	61.5	Low	71.3	Confident	103 Å²	103	69.1 Å²	69.1	72%	0.72	36%	0.362	S	S	*	.	H	α-helix	trans	-78.8	-37.2	-179.2	-55	0	0	0	0	113.3	M212 T213 P214	M212-S216 PolarHBondContact O-N 2.96Å; T213-S216 PolarHBondContact O-N 3.18Å; P214-S216 VanDerWaalsContact C-N 3.35Å
217	K	70.2	Confident	71.2	Confident	122 Å²	122	72 Å²	72	53%	0.53	38%	0.376	S	S	.	.	H	α-helix	trans	-103.7	-21.4	-171.7	-62.5	-171.7	-179.1	178.6	0	115.2	K204 T213	K204-K217 HydrophobicContact CD-CB 4.02Å; K204-K217 HydrophobicContact CG-CB 4.14Å; K204-K217 HydrophobicContact CG-CD 3.99Å; T213-K217 HydrophobicContact CG2-CD 3.84Å; T213-K217 HydrophobicContact CG2-CG 4.33Å; T213-K217 WeakPolarHBondContact O-CB 3.36Å; T213-K217 PolarHBondContact O-N 3.06Å
218	L	71.8	Confident	71.5	Confident	50 Å²	50	70.1 Å²	70.1	26%	0.262	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-7.6	-179.3	-62.7	170.4	0	0	0	112.7	F200 K204 P214 L220 F225	F200-L218 HydrophobicContact CD1-CD1 4.13Å; K204-L218 HydrophobicContact CB-CD1 3.9Å; K204-L218 HydrophobicContact CB-CD2 4.31Å; K204-L218 HydrophobicContact CB-CG 4.02Å; K204-L218 HydrophobicContact CD-CD2 3.81Å; K204-L218 HydrophobicContact CD-CG 4.21Å; P214-L218 HydrophobicContact CB-CD1 4.47Å; P214-L218 CarbonylContact O-C 3.54Å; P214-L218 VanDerWaalsContact O-CA 3.32Å; P214-L218 WeakPolarHBondContact O-CA 3.4Å; P214-L218 VanDerWaalsContact O-CB 3.31Å; P214-L218 WeakPolarHBondContact O-CB 3.45Å; P214-L218 PolarHBondContact O-N 3.06Å; L218-L220 HydrophobicContact CB-CB 4.44Å; L218-L220 HydrophobicContact CB-CD1 4.48Å; L218-L220 HydrophobicContact CB-CG 4.48Å; L218-L220 PolarHBondContact O-N 2.94Å; L218-F225 HydrophobicContact CD1-CZ 4.2Å
219	G	69.8	Low	72.2	Confident	65 Å²	65	66 Å²	66	67%	0.67	35%	0.345	S	S	*	.	S	Bend	trans	66.9	12.6	-174.8	0	0	0	0	0	113.9	P214 K215	P214-G219 PolarHBondContact O-N 3.37Å; K215-G219 WeakPolarHBondContact O-CA 3.43Å; K215-G219 PolarHBondContact O-N 3.35Å
220	L	72.6	Confident	73.2	Confident	34 Å²	34	60 Å²	60	18%	0.178	33%	0.327	C	S	.	.			trans	-109.9	139	-176.2	-67.2	174.4	0	0	0	110.4	F200 P214 K215 L218 F225	F200-L220 HydrophobicContact CE1-CD1 4.14Å; P214-L220 CarbonylContact C-O 3.5Å; P214-L220 PolarHBondContact O-N 3.46Å; K215-L220 WeakPolarHBondContact CA-O 3.35Å; K215-L220 PolarHBondContact N-O 3.07Å; L218-L220 HydrophobicContact CB-CB 4.44Å; L218-L220 HydrophobicContact CB-CD1 4.48Å; L218-L220 HydrophobicContact CB-CG 4.48Å; L218-L220 PolarHBondContact O-N 2.94Å; L220-F225 HydrophobicContact CB-CE2 3.87Å; L220-F225 HydrophobicContact CB-CZ 4.35Å; L220-F225 HydrophobicContact CD1-CE2 4.1Å; L220-F225 HydrophobicContact CD1-CZ 3.72Å
221	A	69.3	Low	74.6	Confident	38 Å²	38	53.3 Å²	53.3	31%	0.314	29%	0.292	S	S	.	.			trans	-69	139.7	177.7	0	0	0	0	0	110.6	N223 R224	A221-N223 WeakPolarHBondContact CB-OD1 3.16Å; A221-N223 PolarHBondContact O-N 3Å; A221-N223 PolarHBondContact O-OD1 3.08Å; A221-R224 WeakPolarHBondContact O-CB 3.23Å; A221-R224 WeakPolarHBondContact O-CG 3.24Å; A221-R224 PolarHBondContact O-N 2.86Å
222	P	62	Low	75.7	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.078	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.1	-174.7	-25.2	34.9	0	0	0	114.2	D211 M212 P214 R224 F225	D211-P222 VanDerWaalsContact O-CB 3.28Å; D211-P222 WeakPolarHBondContact O-CB 3.37Å; D211-P222 WeakPolarHBondContact O-CG 3.18Å; M212-P222 HydrophobicContact SD-CG 4.15Å; P214-P222 HydrophobicContact CG-CB 4.47Å; P214-P222 HydrophobicContact CG-CG 4.47Å; P222-R224 PolarHBondContact O-N 2.86Å; P222-R224 VanDerWaalsContact O-N 3.11Å; P222-F225 PolarHBondContact O-N 3Å
223	N	73.2	Confident	77	Confident	116 Å²	116	55.8 Å²	55.8	62%	0.62	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20.1	174.4	64.9	-23.8	0	0	0	113.4	A221 F225	A221-N223 WeakPolarHBondContact CB-OD1 3.16Å; A221-N223 PolarHBondContact O-N 3Å; A221-N223 PolarHBondContact O-OD1 3.08Å; N223-F225 PolarHBondContact O-N 3.44Å
224	R	81.8	Confident	78.4	Confident	96 Å²	96	55.2 Å²	55.2	36%	0.362	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-68.8	-20.4	173.4	-64.4	-162.8	179.5	-167.6	2.7	113.1	S122 G123 W124 A221 P222	S122-R224 WeakPolarHBondContact O-CA 3.38Å; S122-R224 WeakPolarHBondContact O-CB 2.92Å; S122-R224 WeakPolarHBondContact O-CD 3.45Å; S122-R224 WeakPolarHBondContact O-CG 3.43Å; G123-R224 CarbonylContact C-O 3.43Å; G123-R224 WeakPolarHBondContact CA-O 3.39Å; W124-R224 PolarHBondContact N-O 3.49Å; A221-R224 WeakPolarHBondContact O-CB 3.23Å; A221-R224 WeakPolarHBondContact O-CG 3.24Å; A221-R224 PolarHBondContact O-N 2.86Å; P222-R224 PolarHBondContact O-N 2.86Å; P222-R224 VanDerWaalsContact O-N 3.11Å
225	F	83.4	Confident	80	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-108.8	15.7	-178.3	-61.1	-81.9	0	0	0	112.9	L114 W124 F200 L205 P206 P214 L218 L220 P222 N223 M227 A228 I229	L114-F225 HydrophobicContact CD1-CD1 3.9Å; L114-F225 HydrophobicContact CD1-CE1 3.91Å; W124-F225 HydrophobicContact CB-CD1 3.8Å; W124-F225 HydrophobicContact CB-CE1 3.83Å; W124-F225 HydrophobicContact CG-CD1 4.48Å; W124-F225 HydrophobicContact CG-CE1 4.07Å; F200-F225 AromaticContact CD1-CE1 3.92Å; F200-F225 HydrophobicContact CD1-CE1 3.92Å; F200-F225 HydrophobicContact CD1-CZ 4.05Å; F200-F225 AromaticContact CE1-CE1 3.8Å; F200-F225 HydrophobicContact CE1-CE1 3.8Å; F200-F225 AromaticContact CE1-CZ 3.76Å; F200-F225 HydrophobicContact CE1-CZ 3.76Å; F200-F225 HydrophobicContact CG-CE1 4.45Å; F200-F225 HydrophobicContact CZ-CE1 4.24Å; F200-F225 HydrophobicContact CZ-CZ 4.47Å; L205-F225 HydrophobicContact CD2-CD1 3.74Å; L205-F225 HydrophobicContact CD2-CE1 3.72Å; L205-F225 HydrophobicContact CD2-CG 4.44Å; L205-F225 HydrophobicContact CD2-CZ 4.39Å; P206-F225 HydrophobicContact CG-CB 3.64Å; P206-F225 HydrophobicContact CG-CD2 4.19Å; P206-F225 HydrophobicContact CG-CG 4.16Å; P214-F225 HydrophobicContact CB-CD2 4.18Å; P214-F225 HydrophobicContact CB-CE2 3.95Å; P214-F225 HydrophobicContact CG-CD2 4.4Å; L218-F225 HydrophobicContact CD1-CZ 4.2Å; L220-F225 HydrophobicContact CB-CE2 3.87Å; L220-F225 HydrophobicContact CB-CZ 4.35Å; L220-F225 HydrophobicContact CD1-CE2 4.1Å; L220-F225 HydrophobicContact CD1-CZ 3.72Å; P222-F225 PolarHBondContact O-N 3Å; N223-F225 PolarHBondContact O-N 3.44Å; F225-M227 PolarHBondContact O-N 3.35Å; F225-A228 PolarHBondContact O-N 3.04Å; F225-I229 WeakPolarHBondContact O-CG1 3.41Å; F225-I229 PolarHBondContact O-N 3.28Å; F225-I229 VanDerWaalsContact O-N 3.1Å
226	F	79.7	Confident	81.7	Confident	82 Å²	82	52.9 Å²	52.9	36%	0.36	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-40.5	-172.9	-179	-89.1	0	0	0	113.7	R209 A228	R209-F226 HydrophobicContact CG-CD2 4.39Å; R209-F226 HydrophobicContact CG-CE2 4.44Å; R209-F226 VanDerWaalsContact CZ-CZ 3.49Å; R209-F226 VanDerWaalsContact NH2-CE2 3.28Å; F226-A228 VanDerWaalsContact C-N 3.34Å
227	M	82.1	Confident	83.3	Confident	60 Å²	60	51.9 Å²	51.9	30%	0.296	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.6	-179	-60.9	-60.7	-85.7	0	0	113.5	F225	F225-M227 PolarHBondContact O-N 3.35Å
228	A	88.1	Confident	84.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-31.6	177.9	0	0	0	0	0	112.4	F126 F225 F226 P230 F231 I232	F126-A228 HydrophobicContact CD2-CB 4.29Å; F126-A228 HydrophobicContact CE2-CB 3.84Å; F225-A228 PolarHBondContact O-N 3.04Å; F226-A228 VanDerWaalsContact C-N 3.34Å; A228-P230 VanDerWaalsContact C-CD 3.42Å; A228-F231 PolarHBondContact O-N 2.89Å; A228-I232 HydrophobicContact CB-CD1 4.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.49Å; A228-I232 PolarHBondContact O-N 2.65Å
229	I	89.8	Confident	85.6	Confident	17 Å²	17	46 Å²	46	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-45.3	-48.6	-175.2	-73.9	170.4	0	0	0	113.9	P206 R209 F225 F231 I232	P206-I229 HydrophobicContact CB-CD1 4.33Å; P206-I229 HydrophobicContact CB-CG1 4.16Å; P206-I229 HydrophobicContact CG-CD1 4.08Å; P206-I229 HydrophobicContact CG-CG1 3.75Å; R209-I229 HydrophobicContact CG-CD1 4.4Å; F225-I229 WeakPolarHBondContact O-CG1 3.41Å; F225-I229 PolarHBondContact O-N 3.28Å; F225-I229 VanDerWaalsContact O-N 3.1Å; I229-F231 PolarHBondContact O-N 2.9Å; I229-I232 PolarHBondContact O-N 3.47Å
230	P	91.4	Very high	86.8	Confident	41 Å²	41	48 Å²	48	27%	0.266	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-19.3	-176.3	-25.6	37.3	0	0	0	114.7	Q165 I167 A228	Q165-P230 HydrophobicContact CG-CB 4.35Å; Q165-P230 PolarHBondContact NE2-O 2.93Å; Q165-P230 VanDerWaalsContact NE2-O 3.13Å; I167-P230 HydrophobicContact CD1-CB 4.09Å; I167-P230 HydrophobicContact CD1-CG 3.8Å; I167-P230 HydrophobicContact CG1-CG 4.35Å; A228-P230 VanDerWaalsContact C-CD 3.42Å
231	F	94.9	Very high	87.7	Confident	2 Å²	2	53 Å²	53	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-101.9	-18	-175.6	-54.6	-84.5	0	0	0	112.9	I103 F126 I163 Q165 I167 V172 L174 A228 I229 R233 P234 L235	I103-F231 HydrophobicContact CD1-CB 4.31Å; F126-F231 HydrophobicContact CD2-CB 4.42Å; F126-F231 HydrophobicContact CD2-CD2 4.26Å; F126-F231 HydrophobicContact CD2-CG 4.49Å; F126-F231 HydrophobicContact CE2-CB 3.86Å; F126-F231 HydrophobicContact CE2-CD2 4.36Å; F126-F231 HydrophobicContact CE2-CG 4.38Å; I163-F231 HydrophobicContact CB-CD1 4.29Å; I163-F231 HydrophobicContact CG2-CD1 3.73Å; I163-F231 HydrophobicContact CG2-CE1 4.38Å; Q165-F231 HydrophobicContact CB-CE1 3.9Å; Q165-F231 HydrophobicContact CB-CZ 4.04Å; Q165-F231 HydrophobicContact CG-CD1 4.04Å; Q165-F231 HydrophobicContact CG-CE1 3.69Å; Q165-F231 HydrophobicContact CG-CZ 4.2Å; I167-F231 HydrophobicContact CD1-CE2 3.92Å; I167-F231 HydrophobicContact CD1-CZ 4.01Å; V172-F231 HydrophobicContact CB-CZ 3.87Å; V172-F231 HydrophobicContact CG1-CE1 4.23Å; V172-F231 HydrophobicContact CG1-CE2 4.3Å; V172-F231 HydrophobicContact CG1-CZ 3.5Å; L174-F231 HydrophobicContact CD1-CB 4.47Å; L174-F231 HydrophobicContact CD1-CD1 3.64Å; L174-F231 HydrophobicContact CD1-CD2 3.91Å; L174-F231 HydrophobicContact CD1-CE1 3.77Å; L174-F231 HydrophobicContact CD1-CE2 4.03Å; L174-F231 HydrophobicContact CD1-CG 3.73Å; L174-F231 HydrophobicContact CD1-CZ 3.97Å; L174-F231 HydrophobicContact CG-CD1 4.2Å; L174-F231 HydrophobicContact CG-CE1 3.98Å; L174-F231 HydrophobicContact CG-CZ 4.32Å; A228-F231 PolarHBondContact O-N 2.89Å; I229-F231 PolarHBondContact O-N 2.9Å; F231-R233 PolarHBondContact O-N 2.73Å; F231-P234 WeakPolarHBondContact O-CD 3.39Å; F231-L235 WeakPolarHBondContact O-CB 3.44Å; F231-L235 PolarHBondContact O-N 2.8Å
232	I	94.2	Very high	88.7	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-43.4	-172.8	-56.7	-49.5	0	0	0	112.1	F126 L205 P206 A228 I229 R236	F126-I232 HydrophobicContact CE2-CD1 4.24Å; F126-I232 HydrophobicContact CZ-CD1 4.01Å; L205-I232 HydrophobicContact CB-CD1 3.89Å; L205-I232 HydrophobicContact CB-CG1 4.06Å; L205-I232 HydrophobicContact CB-CG2 4.15Å; L205-I232 HydrophobicContact CD1-CD1 3.62Å; L205-I232 HydrophobicContact CG-CD1 4.36Å; P206-I232 WeakPolarHBondContact O-CG1 3.34Å; A228-I232 HydrophobicContact CB-CD1 4.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.49Å; A228-I232 PolarHBondContact O-N 2.65Å; I229-I232 PolarHBondContact O-N 3.47Å; I232-R236 WeakPolarHBondContact O-CG 3.17Å; I232-R236 PolarHBondContact O-N 3.34Å
233	R	93.4	Very high	89.9	Confident	167 Å²	167	57.8 Å²	57.8	63%	0.63	26%	0.262	S	S	*	.	H	α-helix	trans	-67.5	-53	179.5	173.8	179.9	172.9	-178.2	0.8	112.2	F231 L235 R236 E237	F231-R233 PolarHBondContact O-N 2.73Å; R233-L235 PolarHBondContact O-N 3.37Å; R233-R236 PolarHBondContact O-N 2.95Å; R233-E237 WeakPolarHBondContact CG-OE1 3.44Å; R233-E237 IonicContact CZ-OE1 3.59Å; R233-E237 IonicContact NE-OE1 3.8Å; R233-E237 PolarHBondContact NE-OE1 3.22Å; R233-E237 IonicContact NH2-OE1 2.94Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.24Å
234	P	95.5	Very high	90	Very high	31 Å²	31	54.3 Å²	54.3	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-36.4	174.9	-25.6	33.4	0	0	0	113.2	I163 F231 E237 W238	I163-P234 HydrophobicContact CD1-CB 3.98Å; I163-P234 HydrophobicContact CG1-CB 4.18Å; I163-P234 HydrophobicContact CG2-CB 3.83Å; I163-P234 HydrophobicContact CG2-CG 4.24Å; F231-P234 WeakPolarHBondContact O-CD 3.39Å; P234-E237 PolarHBondContact O-N 3.45Å; P234-W238 PolarHBondContact O-N 2.84Å
235	L	96.3	Very high	89.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-48.1	176.4	177.9	60.6	0	0	0	112.1	I103 L105 F126 I163 I176 I202 F231 R233 E237 W238 I239	I103-L235 HydrophobicContact CD1-CD1 4.44Å; I103-L235 HydrophobicContact CG2-CD1 3.82Å; I103-L235 HydrophobicContact CG2-CD2 3.73Å; I103-L235 HydrophobicContact CG2-CG 4.4Å; L105-L235 HydrophobicContact CD1-CD1 4.21Å; L105-L235 HydrophobicContact CD2-CD1 4.28Å; L105-L235 HydrophobicContact CD2-CD2 4.31Å; F126-L235 HydrophobicContact CZ-CD2 4.49Å; I163-L235 HydrophobicContact CD1-CB 3.96Å; I163-L235 HydrophobicContact CD1-CD1 4.45Å; I176-L235 HydrophobicContact CD1-CD1 4.48Å; I202-L235 HydrophobicContact CD1-CD2 4.4Å; I202-L235 HydrophobicContact CG2-CD2 4.39Å; F231-L235 WeakPolarHBondContact O-CB 3.44Å; F231-L235 PolarHBondContact O-N 2.8Å; R233-L235 PolarHBondContact O-N 3.37Å; L235-E237 VanDerWaalsContact C-N 3.29Å; L235-E237 PolarHBondContact O-N 3.49Å; L235-W238 PolarHBondContact O-N 2.86Å; L235-I239 HydrophobicContact CD1-CD1 4.09Å; L235-I239 HydrophobicContact CD1-CG1 4.33Å; L235-I239 HydrophobicContact CG-CD1 3.98Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.42Å
236	R	95.1	Very high	87.9	Confident	74 Å²	74	58.8 Å²	58.8	28%	0.279	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-40.5	176.5	-72.7	175.4	-175.9	-177.1	5.3	111.7	I202 E203 L205 C207 I232 R233 I239 N240	I202-R236 HydrophobicContact CG2-CG 3.88Å; I202-R236 PolarHBondContact O-NE 3.33Å; I202-R236 PolarHBondContact O-NH2 3.47Å; E203-R236 PolarHBondContact O-NH2 2.99Å; E203-R236 VanDerWaalsContact O-NH2 3.17Å; L205-R236 PolarHBondContact O-NH2 2.91Å; C207-R236 PolarHBondContact SG-NH1 3.29Å; I232-R236 WeakPolarHBondContact O-CG 3.17Å; I232-R236 PolarHBondContact O-N 3.34Å; R233-R236 PolarHBondContact O-N 2.95Å; R236-I239 PolarHBondContact O-N 3.1Å; R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 PolarHBondContact O-N 3.11Å; R236-N240 PolarHBondContact O-ND2 3.13Å
237	E	94.9	Very high	86.7	Confident	82 Å²	82	60.9 Å²	60.9	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-40.6	175.9	-70	169.6	-172.5	0	0	111.6	R233 P234 L235 R241	R233-E237 WeakPolarHBondContact CG-OE1 3.44Å; R233-E237 IonicContact CZ-OE1 3.59Å; R233-E237 IonicContact NE-OE1 3.8Å; R233-E237 PolarHBondContact NE-OE1 3.22Å; R233-E237 IonicContact NH2-OE1 2.94Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.24Å; P234-E237 PolarHBondContact O-N 3.45Å; L235-E237 VanDerWaalsContact C-N 3.29Å; L235-E237 PolarHBondContact O-N 3.49Å; E237-R241 WeakPolarHBondContact O-CG 3.33Å; E237-R241 PolarHBondContact O-N 3.34Å; E237-R241 PolarHBondContact O-NH1 3.02Å
238	W	95.7	Very high	85.3	Confident	41 Å²	41	61 Å²	61	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-46.2	174.7	-178.5	91.7	0	0	0	112.4	L105 V161 I176 P178 P234 L235 N240 R241 L242	L105-W238 HydrophobicContact CD1-CE3 4.49Å; L105-W238 HydrophobicContact CD1-CZ3 3.86Å; V161-W238 HydrophobicContact CG1-CZ2 3.88Å; I176-W238 HydrophobicContact CB-CZ2 4.46Å; I176-W238 HydrophobicContact CD1-CB 4.16Å; I176-W238 HydrophobicContact CD1-CD2 3.5Å; I176-W238 VanDerWaalsContact CD1-CD2 3.5Å; I176-W238 HydrophobicContact CD1-CE3 3.99Å; I176-W238 HydrophobicContact CD1-CG 3.55Å; I176-W238 HydrophobicContact CD1-CZ2 4.43Å; I176-W238 HydrophobicContact CG2-CD2 4.33Å; I176-W238 HydrophobicContact CG2-CE3 3.96Å; I176-W238 HydrophobicContact CG2-CH2 3.67Å; I176-W238 HydrophobicContact CG2-CZ2 4.04Å; I176-W238 HydrophobicContact CG2-CZ3 3.63Å; P178-W238 HydrophobicContact CB-CH2 4.44Å; P178-W238 HydrophobicContact CG-CH2 4.37Å; P234-W238 PolarHBondContact O-N 2.84Å; L235-W238 PolarHBondContact O-N 2.86Å; W238-N240 VanDerWaalsContact C-N 3.33Å; W238-N240 PolarHBondContact O-N 3.37Å; W238-R241 PolarHBondContact O-N 3.48Å; W238-L242 HydrophobicContact CH2-CD1 3.93Å; W238-L242 HydrophobicContact CZ2-CD1 3.91Å; W238-L242 PolarHBondContact O-N 3.06Å
239	I	94.8	Very high	83.6	Confident	9 Å²	9	66.6 Å²	66.6	5%	0.046	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-42.7	178.7	-66.1	166.8	0	0	0	111	L105 L109 I202 L235 R236 R241 L242 K243	L105-I239 HydrophobicContact CD1-CD1 4.36Å; L105-I239 HydrophobicContact CD1-CG1 4.38Å; L109-I239 HydrophobicContact CB-CG2 4.26Å; I202-I239 HydrophobicContact CD1-CD1 3.56Å; I202-I239 HydrophobicContact CG2-CD1 4.47Å; L235-I239 HydrophobicContact CD1-CD1 4.09Å; L235-I239 HydrophobicContact CD1-CG1 4.33Å; L235-I239 HydrophobicContact CG-CD1 3.98Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.42Å; R236-I239 PolarHBondContact O-N 3.1Å; I239-R241 PolarHBondContact O-N 3.5Å; I239-L242 PolarHBondContact O-N 3.18Å; I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CG 3.5Å; I239-K243 PolarHBondContact O-N 3.49Å
240	N	93.8	Very high	81.8	Confident	107 Å²	107	72.1 Å²	72.1	57%	0.572	36%	0.362	S	S	*	.	H	α-helix	trans	-66.2	-36.8	-179.2	-72.2	-14.3	0	0	0	112.7	R236 W238 K243 G244	R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 PolarHBondContact O-N 3.11Å; R236-N240 PolarHBondContact O-ND2 3.13Å; W238-N240 VanDerWaalsContact C-N 3.33Å; W238-N240 PolarHBondContact O-N 3.37Å; N240-K243 PolarHBondContact O-N 3.42Å; N240-G244 PolarHBondContact O-N 3.2Å
241	R	93.2	Very high	79.8	Confident	137 Å²	137	77.7 Å²	77.7	52%	0.517	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-45.1	174.1	-72.4	-168.1	-54	-87.4	4.3	111.4	E237 W238 I239 K243 G244 E245	E237-R241 WeakPolarHBondContact O-CG 3.33Å; E237-R241 PolarHBondContact O-N 3.34Å; E237-R241 PolarHBondContact O-NH1 3.02Å; W238-R241 PolarHBondContact O-N 3.48Å; I239-R241 PolarHBondContact O-N 3.5Å; R241-K243 VanDerWaalsContact C-N 3.32Å; R241-K243 PolarHBondContact O-N 3.02Å; R241-G244 PolarHBondContact O-N 3.15Å; R241-E245 PolarHBondContact O-N 2.83Å
242	L	89.6	Confident	77.7	Confident	61 Å²	61	83.6 Å²	83.6	32%	0.319	42%	0.416	S	S	.	.	H	α-helix	trans	-60.5	-42.4	178.9	-161.6	116.6	0	0	0	111.7	L109 W238 I239 E245 S246	L109-L242 HydrophobicContact CD1-CD2 3.53Å; W238-L242 HydrophobicContact CH2-CD1 3.93Å; W238-L242 HydrophobicContact CZ2-CD1 3.91Å; W238-L242 PolarHBondContact O-N 3.06Å; I239-L242 PolarHBondContact O-N 3.18Å; L242-E245 PolarHBondContact O-N 2.83Å; L242-S246 PolarHBondContact O-N 3.2Å; L242-S246 PolarHBondContact O-OG 2.89Å
243	K	86.1	Confident	75.5	Confident	90 Å²	90	87 Å²	87	39%	0.391	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-37.9	176.2	-69.9	-177.8	179	-172.7	0	113	I239 N240 R241 D247	I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CG 3.5Å; I239-K243 PolarHBondContact O-N 3.49Å; N240-K243 PolarHBondContact O-N 3.42Å; R241-K243 VanDerWaalsContact C-N 3.32Å; R241-K243 PolarHBondContact O-N 3.02Å; K243-D247 PolarHBondContact O-N 2.96Å
244	G	75.4	Confident	73.2	Confident	43 Å²	43	85.3 Å²	85.3	44%	0.443	45%	0.447	S	S	.	.	H	α-helix	trans	-70.4	-31.1	177.8	0	0	0	0	0	114.2	N240 R241 S248	N240-G244 PolarHBondContact O-N 3.2Å; R241-G244 PolarHBondContact O-N 3.15Å; G244-S248 PolarHBondContact O-OG 2.74Å; G244-S248 VanDerWaalsContact O-OG 3.14Å
245	E	64	Low	70.8	Confident	126 Å²	126	91.1 Å²	91.1	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-71.2	-40.9	173.7	-73.3	171.1	175.9	0	0	111.3	R241 L242 D247 S248 D249	R241-E245 PolarHBondContact O-N 2.83Å; L242-E245 PolarHBondContact O-N 2.83Å; E245-D247 PolarHBondContact O-N 3.47Å; E245-S248 PolarHBondContact O-N 3.02Å; E245-S248 PolarHBondContact O-OG 2.78Å; E245-D249 PolarHBondContact O-N 3.22Å
246	S	57.4	Low	68.3	Low	64 Å²	64	101.7 Å²	101.7	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-40.1	177	-50.3	0	0	0	0	114.2	L242 S248	L242-S246 PolarHBondContact O-N 3.2Å; L242-S246 PolarHBondContact O-OG 2.89Å; S246-S248 VanDerWaalsContact C-N 3.31Å; S246-S248 PolarHBondContact O-N 2.88Å
247	D	55.1	Low	65.7	Low	126 Å²	126	106.7 Å²	106.7	67%	0.674	55%	0.545	S	S	*	.	H	α-helix	trans	-73	-23.8	-178.5	-79.3	-14.1	0	0	0	112.6	K243 E245	K243-D247 PolarHBondContact O-N 2.96Å; E245-D247 PolarHBondContact O-N 3.47Å
248	S	52.3	Low	62.9	Low	63 Å²	63	109.3 Å²	109.3	44%	0.441	57%	0.567	S	S	.	*	H	α-helix	trans	-86	-28.6	-178.1	49.7	0	0	0	0	113.8	G244 E245 S246	G244-S248 PolarHBondContact O-OG 2.74Å; G244-S248 VanDerWaalsContact O-OG 3.14Å; E245-S248 PolarHBondContact O-N 3.02Å; E245-S248 PolarHBondContact O-OG 2.78Å; S246-S248 VanDerWaalsContact C-N 3.31Å; S246-S248 PolarHBondContact O-N 2.88Å
249	D	52.6	Low	60.3	Low	117 Å²	117	113.6 Å²	113.6	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-78.5	-30.5	175.4	-83.6	-18.8	0	0	0	113	E245 L252 A253	E245-D249 PolarHBondContact O-N 3.22Å; D249-L252 PolarHBondContact O-N 3.46Å; D249-A253 PolarHBondContact O-N 3.41Å
250	E	52.7	Low	57.4	Low	133 Å²	133	119 Å²	119	62%	0.621	64%	0.639	S	S	*	*	H	α-helix	trans	-68.5	-30.5	174.9	-77.2	-83.2	155.8	0	0	112.7	N254	E250-N254 PolarHBondContact O-ND2 2.98Å
251	E	49.5	Very low	54.6	Low	158 Å²	158	123.7 Å²	123.7	74%	0.738	65%	0.654	S	S	*	*	H	α-helix	trans	-74.2	-27.8	173.8	-80.5	-160.7	148.1	0	0	113.1
252	L	49.6	Very low	52.5	Low	127 Å²	127	122.3 Å²	122.3	67%	0.665	66%	0.663	S	S	*	*	H	α-helix	trans	-78.6	-24.9	177.6	-86.8	156.6	0	0	0	113.1	D249	D249-L252 PolarHBondContact O-N 3.46Å
253	A	47.9	Very low	49.8	Very low	70 Å²	70	127.4 Å²	127.4	58%	0.579	69%	0.69	S	S	*	*	H	α-helix	trans	-79	-33.6	176.5	0	0	0	0	0	113	D249 N255	D249-A253 PolarHBondContact O-N 3.41Å; A253-N255 VanDerWaalsContact C-N 3.32Å; A253-N255 PolarHBondContact O-N 3.47Å
254	N	45.6	Very low	47.2	Very low	132 Å²	132	130.5 Å²	130.5	71%	0.706	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-11.2	-176.1	-81.1	-38.6	0	0	0	114.9	E250	E250-N254 PolarHBondContact O-ND2 2.98Å
255	N	45.3	Very low	45.1	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	10.9	-179.6	-131.2	6	0	0	0	114.3	A253	A253-N255 VanDerWaalsContact C-N 3.32Å; A253-N255 PolarHBondContact O-N 3.47Å
256	R	43.4	Very low	43.7	Very low	223 Å²	223	134.3 Å²	134.3	84%	0.842	74%	0.741	S	S	*	*			trans	-115.7	31.2	-174.8	-144.6	-174.3	-87.8	-128.4	3.4	114.8
257	M	41.3	Very low	42.4	Very low	179 Å²	179	141.9 Å²	141.9	88%	0.882	76%	0.76	S	S	*	*			trans	-130.6	88.3	165	-74.3	-161.5	118.4	0	0	111.8
258	T	36.3	Very low	41.2	Very low	137 Å²	137	140.3 Å²	140.3	84%	0.84	76%	0.758	S	S	*	*			trans	-159.2	130.9	146.8	14.8	0	0	0	0	109.3
259	P	41	Very low	40.1	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	78%	0.778	S	S	*	*			trans	-95.4	129.3	-177.2	33.7	-28.6	0	0	0	111.9
260	S	32.5	Very low	38.9	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	78%	0.784	S	S	*	*			trans	-145.1	123.7	159	49.5	0	0	0	0	111.1
261	K	36.3	Very low	37.8	Very low	205 Å²	205	150.7 Å²	150.7	89%	0.891	80%	0.795	S	S	*	*			trans	-110.6	173.5	164.3	-82.6	-172.9	175.4	179.6	0	107.1
262	P	48.3	Very low	36.8	Very low	108 Å²	108	150.2 Å²	150.2	70%	0.701	80%	0.798	S	S	*	*			cis	-132.3	163.9	-49.7	36.6	-21.5	0	0	0	110.9
263	L	32.1	Very low	35.9	Very low	168 Å²	168	151.2 Å²	151.2	88%	0.88	80%	0.804	S	S	*	*			trans	-162.4	152.4	146.5	-137.2	82.9	0	0	0	113.2
264	D	32	Very low	34.9	Very low	155 Å²	155	152.5 Å²	152.5	83%	0.829	81%	0.814	S	S	*	*			trans	-57.2	162.5	-170.3	-59.1	-67.7	0	0	0	118
265	G	31.1	Very low	34	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	82%	0.815	S	S	*	*			trans	158	77.9	157	0	0	0	0	0	116.5
266	I	35.2	Very low	33.3	Very low	173 Å²	173	148.4 Å²	148.4	89%	0.887	81%	0.814	S	S	*	*			trans	-55.3	134.8	162	-66.2	163.7	0	0	0	110
267	R	30.1	Very low	32.5	Very low	223 Å²	223	144.7 Å²	144.7	84%	0.842	81%	0.811	S	S	*	*				157	104.5	125.3	-164.1	171.9	-166.5	180	2.4	115.1
268	S	29.6	Very low	31.9	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	81%	0.808	S	S	*	*				60.6	140.4	123.5	-40.1	0	0	0	0	125
269	K	30.6	Very low	31.5	Very low	194 Å²	194	146.4 Å²	146.4	84%	0.843	81%	0.808	S	S	*	*			trans	86.1	115.1	148.3	-71.8	171.7	-176.7	-174	0	116.8
270	S	26.3	Very low	31.5	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	81%	0.805	S	S	*	*				86.3	112	60	171.3	0	0	0	0	114
271	R	29.7	Very low	31.2	Very low	230 Å²	230	143 Å²	143	87%	0.868	79%	0.794	S	S	*	*			trans	148.1	115.4	138.1	-90.9	176.2	150.4	164.9	-8.1	108.7
272	N	27.8	Very low	30.7	Very low	148 Å²	148	143.1 Å²	143.1	79%	0.791	80%	0.798	S	S	*	*				70	138.3	71.3	-86.3	20.3	0	0	0	116.1
273	N	30.7	Very low	29.5	Very low	148 Å²	148	141 Å²	141	79%	0.791	80%	0.796	S	S	*	*			trans	86.4	125.6	165.4	-68.2	22.2	0	0	0	115.9
274	A	28.7	Very low	29.1	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	80%	0.8	S	S	*	*			cis	113.5	137.3	25.8	0	0	0	0	0	110.3
275	G	26	Very low	28.8	Very low	71 Å²	71	142.6 Å²	142.6	73%	0.732	79%	0.791	S	S	*	*			trans	85.8	145.2	165.3	0	0	0	0	0	115
276	T	29.5	Very low	28.5	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	79%	0.792	S	S	*	*			cis	-170.7	144.2	8.9	-23.9	0	0	0	0	107.7
277	D	26.9	Very low	28.2	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	79%	0.792	S	S	*	*			trans	25.9	155.5	145.5	-67.2	-41.2	0	0	0	124.8
278	V	28.6	Very low	28	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	78%	0.784	S	S	*	*			trans	121.4	99.5	140.8	-172.3	0	0	0	0	115.4
279	Y	28.3	Very low	27.9	Very low	215 Å²	215	150.5 Å²	150.5	84%	0.843	80%	0.797	S	S	*	*			trans	-77.1	168.6	145.7	-112	-100.4	0	0	0	108.6
280	P	42.2	Very low	27.6	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	79%	0.79	S	S	*	*			cis	-148.4	-179.4	21.6	35.7	-11.9	0	0	0	117.4
281	G	25	Very low	27.5	Very low	62 Å²	62	155 Å²	155	64%	0.639	80%	0.799	S	S	*	*			trans	122.6	121.2	136.5	0	0	0	0	0	119.1
282	E	26.4	Very low	27.3	Very low	208 Å²	208	150.8 Å²	150.8	97%	0.972	80%	0.799	S	S	*	*			trans	53.5	138.7	145.9	-54.1	-172	149.7	0	0	119.1
283	G	22.5	Very low	27.7	Very low	64 Å²	64	150 Å²	150	66%	0.66	80%	0.801	S	S	*	*			cis	136.4	120	19.6	0	0	0	0	0	107.4
284	W	23.6	Very low	27.3	Very low	254 Å²	254	146.1 Å²	146.1	96%	0.962	80%	0.797	S	S	*	*			trans	-179.2	114.1	150.2	-99.5	0.2	0	0	0	115.4
285	T	25.1	Very low	27.2	Very low	103 Å²	103	150.9 Å²	150.9	63%	0.632	80%	0.803	S	S	*	*			trans	20.1	137.8	130.3	51	0	0	0	0	125.1
286	K	26.3	Very low	27.1	Very low	185 Å²	185	154.9 Å²	154.9	80%	0.804	80%	0.804	S	S	*	*			trans	81.4	123.2	134.1	-75.6	169.9	-176.3	175.9	0	119.6
287	H	29.2	Very low	26.9	Very low	191 Å²	191	155.2 Å²	155.2	88%	0.884	80%	0.801	S	S	*	*				-159.7	144.9	105.6	-116.7	-103.1	0	0	0	113.5
288	K	25.6	Very low	26.8	Very low	154 Å²	154	156.1 Å²	156.1	67%	0.67	80%	0.801	S	S	*	*			trans	-105	146.7	-173.4	167.8	-172.4	-179.2	-177.1	0	108.6
289	Q	26.5	Very low	26.6	Very low	199 Å²	199	156.9 Å²	156.9	93%	0.93	80%	0.8	S	S	*	*			trans	-150.2	119.7	148.1	-108.7	177.1	38.9	0	0	111.9
290	Q	24.6	Very low	26.5	Very low	149 Å²	149	153.6 Å²	153.6	70%	0.696	80%	0.797	S	S	*	*			trans	-94.6	146.7	162	-73.2	169.7	-64.5	0	0	108.2
291	R	25.2	Very low	26	Very low	249 Å²	249	153.2 Å²	153.2	94%	0.94	80%	0.795	S	S	*	*			trans	-156.6	131.1	140.6	-79.7	-155.6	177.8	-179.3	-1.2	112
292	T	24.6	Very low	26	Very low	140 Å²	140	157.3 Å²	157.3	86%	0.859	80%	0.802	S	S	*	*			trans	-136.9	175.9	153	13.7	0	0	0	0	104.9
293	P	35.4	Very low	26	Very low	131 Å²	131	156.6 Å²	156.6	85%	0.851	80%	0.799	S	S	*	*			cis	-137.9	-179.9	6.8	34	-12	0	0	0	115.2
294	G	24.1	Very low	26.1	Very low	67 Å²	67	162.5 Å²	162.5	69%	0.691	81%	0.806	S	S	*	*			trans	-177	102.6	161.7	0	0	0	0	0	115.7
295	Q	26.3	Very low	26.1	Very low	197 Å²	197	157.9 Å²	157.9	92%	0.921	80%	0.799	S	S	*	*			trans	45.5	156.9	139	-67.8	176.2	-32.5	0	0	121.1
296	M	23.2	Very low	26.1	Very low	155 Å²	155	158.3 Å²	158.3	76%	0.764	80%	0.801	S	S	*	*			cis	176.6	160.9	-24.3	-177.3	143.7	131.4	0	0	105.5
297	N	24.7	Very low	26	Very low	135 Å²	135	156.7 Å²	156.7	72%	0.722	80%	0.801	S	S	*	*			trans	94.7	109.8	173.6	-58.9	-18.1	0	0	0	115.1
298	Q	25.5	Very low	25.7	Very low	165 Å²	165	157.7 Å²	157.7	77%	0.771	80%	0.803	S	S	*	*				57.6	105.5	61.3	-67.8	-162.6	41.8	0	0	114.5
299	N	25.2	Very low	25.5	Very low	151 Å²	151	155.1 Å²	155.1	81%	0.807	80%	0.804	S	S	*	*				169.8	121.5	114.2	-82.8	-20.6	0	0	0	112
300	D	25	Very low	25.5	Very low	146 Å²	146	151.5 Å²	151.5	78%	0.781	80%	0.801	S	S	*	*			trans	-74.3	158	153.4	-133.1	-39.8	0	0	0	108.1	N302	D300-N302 PolarHBondContact OD1-N 3.22Å
301	P	32.8	Very low	25.4	Very low	113 Å²	113	147.6 Å²	147.6	73%	0.734	80%	0.801	S	S	*	*				-153.5	153.5	75.8	37.7	-16.7	0	0	0	117.5
302	N	23.8	Very low	25.5	Very low	147 Å²	147	146.7 Å²	146.7	79%	0.786	80%	0.797	S	S	*	*			trans	36.3	123.9	139.4	-89	-34.5	0	0	0	120.8	D300	D300-N302 PolarHBondContact OD1-N 3.22Å
303	Q	27.4	Very low	25.6	Very low	194 Å²	194	148.7 Å²	148.7	91%	0.907	79%	0.794	S	S	*	*			trans	-146.4	136.2	133.9	-115.6	176.1	69.8	0	0	113
304	K	23.4	Very low	25	Very low	187 Å²	187	152.5 Å²	152.5	81%	0.813	79%	0.791	S	S	*	*			trans	-112.3	132.2	-172.3	-165.7	-166.5	-162.3	-175.4	0	107.6
305	L	24.7	Very low	25.1	Very low	158 Å²	158	158.9 Å²	158.9	83%	0.827	80%	0.803	S	S	*	*			trans	-161.8	95.8	162.2	-97.3	161.9	0	0	0	106.9
306	V	24.9	Very low	25	Very low	111 Å²	111	155.1 Å²	155.1	67%	0.673	79%	0.789	S	S	*	*				65.9	111.7	88.7	-179.1	0	0	0	0	115.1
307	L	23.1	Very low	25.1	Very low	151 Å²	151	153.4 Å²	153.4	79%	0.791	79%	0.792	S	S	*	*			trans	18.5	132.5	147.1	-71.6	96.1	0	0	0	120.2
308	K	23.8	Very low	25.5	Very low	213 Å²	213	152.6 Å²	152.6	93%	0.926	80%	0.795	S	S	*	*				-150.8	133	121.9	-112.8	171.7	-173.5	176.8	0	112.9
309	S	22.2	Very low	25.4	Very low	100 Å²	100	150.4 Å²	150.4	70%	0.699	80%	0.796	S	S	*	*			trans	-85	152.9	176.2	47.8	0	0	0	0	112
310	S	25.1	Very low	25.3	Very low	123 Å²	123	149 Å²	149	86%	0.86	79%	0.793	S	S	*	*			trans	161.4	126.5	145.7	38.9	0	0	0	0	106.8
311	G	22.6	Very low	25.5	Very low	67 Å²	67	151.7 Å²	151.7	69%	0.691	80%	0.797	S	S	*	*			cis	107	118.9	22.4	0	0	0	0	0	109.3
312	R	26.8	Very low	25.1	Very low	230 Å²	230	157.8 Å²	157.8	87%	0.868	81%	0.806	S	S	*	*			trans	94.3	139.7	171.9	-58.1	176.9	176	-171.4	-1.1	114.6
313	K	26.7	Very low	25.1	Very low	182 Å²	182	154 Å²	154	79%	0.791	80%	0.801	S	S	*	*			cis	-163.8	146	8.7	-125.5	171.3	-178.1	-174.2	0	108.6
314	R	23.6	Very low	24.9	Very low	211 Å²	211	151 Å²	151	80%	0.796	80%	0.796	S	S	*	*			trans	-61.9	150.8	161.9	-69.4	-179.8	168.4	-110.8	0.7	111.7	D316	R314-D316 IonicContact NH1-OD2 3.45Å; R314-D316 PolarHBondContact NH1-OD2 3.48Å
315	Q	27	Very low	24.9	Very low	201 Å²	201	147.3 Å²	147.3	94%	0.939	79%	0.794	S	S	*	*			trans	-147.5	111.2	140.3	-107.9	-178.5	-6.3	0	0	110
316	D	22.6	Very low	24.9	Very low	118 Å²	118	148.7 Å²	148.7	63%	0.631	80%	0.796	S	S	*	*			trans	-80.2	144.7	159.2	-70.3	-60.8	0	0	0	108.8	R314	R314-D316 IonicContact NH1-OD2 3.45Å; R314-D316 PolarHBondContact NH1-OD2 3.48Å
317	S	27.3	Very low	24.9	Very low	118 Å²	118	151.2 Å²	151.2	83%	0.825	81%	0.806	S	S	*	*				158.4	156.3	124.6	-74.4	0	0	0	0	114.5
318	P	31.7	Very low	25	Very low	119 Å²	119	147.7 Å²	147.7	77%	0.773	81%	0.806	S	S	*	*			trans	-111.5	172.1	-145.7	40.4	-30.5	0	0	0	114.1
319	C	23.3	Very low	25	Very low	118 Å²	118	143.1 Å²	143.1	80%	0.797	80%	0.801	S	S	*	*			trans	-134.5	113.9	163.6	-169.7	0	0	0	0	111.3
320	V	24.7	Very low	25.2	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	81%	0.809	S	S	*	*			trans	-94.4	130.8	164.8	172.1	0	0	0	0	107.2
321	K	28.3	Very low	25.2	Very low	202 Å²	202	148.2 Å²	148.2	88%	0.878	81%	0.811	S	S	*	*			trans	-137.5	136.2	150.4	-84	-166.6	178.4	179.2	0	111
322	R	23.3	Very low	25.4	Very low	242 Å²	242	153.9 Å²	153.9	91%	0.913	82%	0.819	S	S	*	*			trans	-107	148.9	-175.3	-172.6	-167.5	-78.8	-174.6	-5.3	107.4
323	G	24.5	Very low	25.4	Very low	67 Å²	67	152 Å²	152	69%	0.691	82%	0.82	S	S	*	*			trans	143.1	88.8	165	0	0	0	0	0	113.6
324	T	23.8	Very low	25.4	Very low	131 Å²	131	152.2 Å²	152.2	80%	0.804	82%	0.821	S	S	*	*				97.5	118.2	77	-51.8	0	0	0	0	113.2
325	S	23.1	Very low	25.5	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	82%	0.819	S	S	*	*			trans	53.9	140.9	153.4	-58.4	0	0	0	0	119.9
326	E	24.7	Very low	25.5	Very low	187 Å²	187	147.4 Å²	147.4	87%	0.874	81%	0.812	S	S	*	*				-155	150.6	52	-71.5	-179.3	141.6	0	0	114.8
327	N	24.8	Very low	26	Very low	165 Å²	165	150.5 Å²	150.5	88%	0.882	82%	0.82	S	S	*	*			trans	16.9	128.9	151.3	-76.6	-8.8	0	0	0	122.9
328	G	24.5	Very low	26.1	Very low	76 Å²	76	151.9 Å²	151.9	78%	0.784	81%	0.807	S	S	*	*			trans	-168.4	91.7	154.4	0	0	0	0	0	110.7
329	S	24.4	Very low	26.2	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	79%	0.792	S	S	*	*			trans	-54.8	133.1	176.7	-50.6	0	0	0	0	112.3
330	N	25.8	Very low	26.8	Very low	163 Å²	163	151.7 Å²	151.7	87%	0.872	79%	0.791	S	S	*	*			trans	-151.1	118.5	147.2	-115.9	-6.5	0	0	0	110.8	Q332	N330-Q332 PolarHBondContact O-N 3.41Å
331	N	26.1	Very low	27.4	Very low	167 Å²	167	147 Å²	147	89%	0.893	76%	0.762	S	S	*	*			trans	-56.5	113.5	170.9	-92.8	-15.7	0	0	0	109.7
332	Q	27.2	Very low	28.8	Very low	187 Å²	187	140 Å²	140	87%	0.874	73%	0.731	S	S	*	*			trans	-106.7	112.7	154.2	-93.4	173.7	3	0	0	107.7	N330 K334	N330-Q332 PolarHBondContact O-N 3.41Å; Q332-K334 PolarHBondContact O-N 2.86Å
333	Q	25.7	Very low	30	Very low	190 Å²	190	129 Å²	129	89%	0.888	69%	0.691	S	S	*	*			trans	-48.7	114.7	162.9	-77.7	172	-39.2	0	0	107.8	E335	Q333-E335 VanDerWaalsContact C-N 3.27Å; Q333-E335 PolarHBondContact O-N 3.15Å
334	K	26.7	Very low	31.2	Very low	186 Å²	186	126.5 Å²	126.5	81%	0.809	66%	0.661	S	S	*	*			trans	-73.4	90.1	170.8	-160.4	-177.9	-176.1	-168.7	0	105.6	Q332 D336	Q332-K334 PolarHBondContact O-N 2.86Å; K334-D336 PolarHBondContact O-N 2.75Å; K334-D336 VanDerWaalsContact O-N 3.08Å
335	E	25.6	Very low	32.7	Very low	161 Å²	161	123.2 Å²	123.2	75%	0.752	64%	0.636	S	S	*	*			trans	-59.4	110.3	163.4	-83.4	-172.8	145.2	0	0	107.2	Q333 K337	Q333-E335 VanDerWaalsContact C-N 3.27Å; Q333-E335 PolarHBondContact O-N 3.15Å; E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 3.32Å
336	D	27.5	Very low	34	Very low	150 Å²	150	119.7 Å²	119.7	80%	0.802	61%	0.609	S	S	*	*			trans	-62.4	92.9	166.4	-87.9	-36.8	0	0	0	108	K334 R338	K334-D336 PolarHBondContact O-N 2.75Å; K334-D336 VanDerWaalsContact O-N 3.08Å; D336-R338 PolarHBondContact O-N 3.08Å
337	K	32.1	Very low	35.2	Very low	183 Å²	183	112.6 Å²	112.6	80%	0.796	58%	0.576	S	S	*	*			trans	-66.4	101.3	170.5	-68.6	-172.3	179.8	-174.9	0	107.8	E335	E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 3.32Å
338	R	30.5	Very low	36.3	Very low	147 Å²	147	105.3 Å²	105.3	56%	0.555	54%	0.537	S	S	*	.			trans	-42.7	128	166.6	-155.2	179.7	-154.9	175.6	15.1	109.2	D336 Q340 D392	D336-R338 PolarHBondContact O-N 3.08Å; R338-Q340 PolarHBondContact O-N 3.36Å; R338-D392 IonicContact CZ-OD1 2.8Å; R338-D392 IonicContact CZ-OD2 3.14Å; R338-D392 IonicContact NE-OD1 3.67Å; R338-D392 PolarHBondContact NE-OD1 2.91Å; R338-D392 IonicContact NH1-OD1 3.36Å; R338-D392 PolarHBondContact NH1-OD1 2.96Å; R338-D392 IonicContact NH1-OD2 2.65Å; R338-D392 VanDerWaalsContact NH2-CB 3.28Å; R338-D392 IonicContact NH2-OD1 3.61Å; R338-D392 PolarHBondContact NH2-OD1 3.29Å; R338-D392 IonicContact NH2-OD2 2.73Å; R338-D392 PolarHBondContact NH2-OD2 3.45Å
339	P	34.5	Very low	37.1	Very low	68 Å²	68	106.5 Å²	106.5	44%	0.442	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-63.8	122.5	-178.1	24.3	-31.7	0	0	0	109.8	F391	P339-F391 HydrophobicContact CB-CD1 4.5Å; P339-F391 HydrophobicContact CG-CD1 3.89Å
340	Q	34.6	Very low	37.8	Very low	166 Å²	166	110 Å²	110	78%	0.776	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-71	136.3	172.2	-69.7	-79.3	-17.4	0	0	108.9	R338	R338-Q340 PolarHBondContact O-N 3.36Å
341	P	37.3	Very low	38.1	Very low	22 Å²	22	105.4 Å²	105.4	14%	0.143	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-62.5	146	177	30.8	-39.5	0	0	0	110.3	M388	P341-M388 HydrophobicContact CB-CE 4.31Å; P341-M388 HydrophobicContact CB-SD 3.4Å; P341-M388 WeakPolarHBondContact CB-SD 3.47Å; P341-M388 HydrophobicContact CG-CE 3.62Å; P341-M388 HydrophobicContact CG-SD 3.31Å; P341-M388 WeakPolarHBondContact CG-SD 3.34Å
342	R	57.7	Low	38.7	Very low	57 Å²	57	103.6 Å²	103.6	22%	0.215	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-94.5	147.4	179.8	-71.8	-172.1	-115.3	-127	-3.4	111.7	D48 R191	D48-R342 IonicContact OD2-CZ 2.79Å; D48-R342 IonicContact OD2-NH1 2.82Å; D48-R342 PolarHBondContact OD2-NH1 3.09Å; D48-R342 IonicContact OD2-NH2 3.59Å; D48-R342 PolarHBondContact OD2-NH2 3.22Å; R191-R342 PolarHBondContact O-NH1 2.81Å
343	P	49.9	Very low	38.9	Very low	11 Å²	11	99 Å²	99	7%	0.071	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-68.7	154	173	25.4	-30	0	0	0	112.3	E144 E147 Q345	E144-P343 WeakPolarHBondContact OE1-CB 3.44Å; E144-P343 WeakPolarHBondContact OE2-CB 3.43Å; E147-P343 WeakPolarHBondContact OE2-CB 3.46Å; E147-P343 WeakPolarHBondContact OE2-CD 3.43Å; E147-P343 WeakPolarHBondContact OE2-CG 3.35Å; P343-Q345 PolarHBondContact O-N 2.84Å
344	L	49.2	Very low	39	Very low	14 Å²	14	95.8 Å²	95.8	7%	0.073	47%	0.468	C	S	.	.			trans	-77.1	106	178.5	-64.8	174.4	0	0	0	109.4	F37 K130 F382	F37-L344 HydrophobicContact CD1-CD1 4.31Å; F37-L344 HydrophobicContact CD1-CD2 3.49Å; F37-L344 VanDerWaalsContact CD1-CD2 3.49Å; F37-L344 HydrophobicContact CE1-CD1 3.97Å; F37-L344 HydrophobicContact CE1-CD2 3.75Å; F37-L344 HydrophobicContact CE1-CG 4.42Å; K130-L344 HydrophobicContact CB-CB 4.05Å; K130-L344 WeakPolarHBondContact CB-O 3.44Å; K130-L344 HydrophobicContact CD-CB 3.99Å; K130-L344 WeakPolarHBondContact CD-O 3.4Å; K130-L344 VanDerWaalsContact CG-O 3.23Å; K130-L344 WeakPolarHBondContact CG-O 3.42Å; L344-F382 HydrophobicContact CD1-CD1 4.49Å; L344-F382 HydrophobicContact CD1-CD2 4.26Å; L344-F382 HydrophobicContact CD1-CE1 4.06Å; L344-F382 HydrophobicContact CD1-CE2 3.82Å; L344-F382 HydrophobicContact CD1-CZ 3.71Å; L344-F382 HydrophobicContact CD2-CE2 4.22Å; L344-F382 HydrophobicContact CD2-CZ 3.99Å; L344-F382 HydrophobicContact CG-CE2 4.5Å; L344-F382 HydrophobicContact CG-CZ 4.08Å
345	Q	53.9	Low	39	Very low	61 Å²	61	91 Å²	91	29%	0.285	46%	0.458	S	S	.	.			trans	-122	157.9	174.4	-125.7	170	35.9	0	0	112.9	K94 K128 E148 E193 P343 M347	K94-Q345 PolarHBondContact NZ-O 3.46Å; K128-Q345 PolarHBondContact O-NE2 3.3Å; K128-Q345 VanDerWaalsContact O-NE2 3.13Å; E148-Q345 PolarHBondContact OE1-NE2 2.96Å; E193-Q345 PolarHBondContact OE1-OE1 3.28Å; P343-Q345 PolarHBondContact O-N 2.84Å; Q345-M347 PolarHBondContact O-N 3.14Å
346	D	51.4	Low	39.1	Very low	36 Å²	36	89 Å²	89	19%	0.193	46%	0.462	C	S	.	.			trans	-82.5	99.9	-173.2	-79.1	-41.4	0	0	0	112.7	K94 K130 F348 E349	K94-D346 WeakPolarHBondContact CB-OD1 3.16Å; K94-D346 VanDerWaalsContact CE-OD1 3.26Å; K94-D346 WeakPolarHBondContact CE-OD1 3.37Å; K130-D346 WeakPolarHBondContact CE-OD2 3.4Å; K130-D346 IonicContact NZ-OD1 3.59Å; K130-D346 PolarHBondContact NZ-OD1 3.5Å; K130-D346 IonicContact NZ-OD2 2.89Å; K130-D346 PolarHBondContact NZ-OD2 2.91Å; D346-F348 PolarHBondContact O-N 3.22Å; D346-E349 HydrophobicContact CB-CG 4.39Å
347	M	50.4	Low	39.1	Very low	37 Å²	37	85.7 Å²	85.7	18%	0.182	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-72.2	-9	170.2	-63.5	-164.2	75.3	0	0	113.7	W44 I62 L119 Q345 E349	W44-M347 HydrophobicContact CD2-SD 4.46Å; W44-M347 HydrophobicContact CH2-CE 3.75Å; W44-M347 HydrophobicContact CH2-CG 4.48Å; W44-M347 HydrophobicContact CH2-SD 3.94Å; W44-M347 HydrophobicContact CZ2-CE 3.81Å; W44-M347 HydrophobicContact CZ2-CG 3.78Å; W44-M347 HydrophobicContact CZ2-SD 3.33Å; W44-M347 WeakPolarHBondContact CZ2-SD 3.21Å; W44-M347 HydrophobicContact CZ3-CE 4.33Å; I62-M347 HydrophobicContact CB-SD 4.36Å; I62-M347 HydrophobicContact CG2-CB 4.02Å; L119-M347 HydrophobicContact CD1-CE 3.54Å; Q345-M347 PolarHBondContact O-N 3.14Å; M347-E349 VanDerWaalsContact C-N 3.3Å; M347-E349 PolarHBondContact O-N 3.37Å
348	F	46.3	Very low	38.9	Very low	13 Å²	13	82 Å²	82	6%	0.057	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-77.6	-6.9	-177.4	-70.5	-79.2	0	0	0	114.5	R63 W90 K91 D346 R350 D351	R63-F348 HydrophobicContact CG-CD1 4.4Å; R63-F348 HydrophobicContact CG-CE1 3.76Å; W90-F348 HydrophobicContact CD2-CE2 4.4Å; W90-F348 AromaticContact CE3-CE2 3.92Å; W90-F348 HydrophobicContact CE3-CE2 3.92Å; W90-F348 AromaticContact CE3-CZ 3.66Å; W90-F348 HydrophobicContact CE3-CZ 3.66Å; W90-F348 HydrophobicContact CH2-CE2 4.4Å; W90-F348 AromaticContact CZ3-CE2 3.92Å; W90-F348 HydrophobicContact CZ3-CE2 3.92Å; W90-F348 AromaticContact CZ3-CZ 3.72Å; W90-F348 HydrophobicContact CZ3-CZ 3.72Å; K91-F348 HydrophobicContact CB-CD1 4.39Å; K91-F348 HydrophobicContact CB-CD2 4.22Å; K91-F348 HydrophobicContact CB-CE1 4.22Å; K91-F348 HydrophobicContact CB-CE2 4.06Å; K91-F348 HydrophobicContact CB-CG 4.38Å; K91-F348 HydrophobicContact CB-CZ 4.06Å; K91-F348 HydrophobicContact CD-CB 4.27Å; K91-F348 HydrophobicContact CD-CD1 3.92Å; K91-F348 HydrophobicContact CD-CE1 4.4Å; K91-F348 HydrophobicContact CD-CG 4.05Å; K91-F348 HydrophobicContact CG-CB 4.27Å; K91-F348 HydrophobicContact CG-CD1 4.14Å; K91-F348 HydrophobicContact CG-CD2 4.03Å; K91-F348 HydrophobicContact CG-CE1 4.47Å; K91-F348 HydrophobicContact CG-CE2 4.38Å; K91-F348 HydrophobicContact CG-CG 3.9Å; D346-F348 PolarHBondContact O-N 3.22Å; F348-R350 PolarHBondContact O-N 2.96Å; F348-R350 VanDerWaalsContact O-N 3.08Å; F348-D351 PolarHBondContact O-N 3.4Å
349	E	41.2	Very low	38.6	Very low	100 Å²	100	84.9 Å²	84.9	47%	0.467	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.7	-173.9	-72.4	-173.3	163.3	0	0	114.4	D346 M347 D351 M352	D346-E349 HydrophobicContact CB-CG 4.39Å; M347-E349 VanDerWaalsContact C-N 3.3Å; M347-E349 PolarHBondContact O-N 3.37Å; E349-D351 PolarHBondContact O-N 3.11Å; E349-M352 PolarHBondContact O-N 3.42Å
350	R	40.4	Very low	38.1	Very low	192 Å²	192	90.5 Å²	90.5	73%	0.725	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30.2	179.2	-168	-179.9	-72.6	-174.3	0.7	112.7	F348	F348-R350 PolarHBondContact O-N 2.96Å; F348-R350 VanDerWaalsContact O-N 3.08Å
351	D	32.8	Very low	37.7	Very low	66 Å²	66	88.7 Å²	88.7	35%	0.353	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-83.1	-17.5	-173.9	-68.2	-14.5	0	0	0	113.4	R63 F348 E349 T354	R63-D351 IonicContact NH1-OD2 3.15Å; F348-D351 PolarHBondContact O-N 3.4Å; E349-D351 PolarHBondContact O-N 3.11Å; D351-T354 PolarHBondContact O-OG1 2.94Å
352	M	37.3	Very low	37	Very low	128 Å²	128	93.2 Å²	93.2	63%	0.631	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-23.9	-179.4	-89.1	-94.7	161.2	0	0	113.6	E349 T354	E349-M352 PolarHBondContact O-N 3.42Å; M352-T354 VanDerWaalsContact C-N 3.26Å; M352-T354 PolarHBondContact O-N 3.02Å
353	A	31.5	Very low	35.7	Very low	92 Å²	92	95.9 Å²	95.9	76%	0.76	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-12.5	-178.3	0	0	0	0	0	113.7
354	T	28.7	Very low	34.5	Very low	121 Å²	121	98.9 Å²	98.9	74%	0.742	59%	0.585	S	S	*	*	S	Bend	trans	-109.8	-9.4	-173	37.5	0	0	0	0	114.9	D351 M352	D351-T354 PolarHBondContact O-OG1 2.94Å; M352-T354 VanDerWaalsContact C-N 3.26Å; M352-T354 PolarHBondContact O-N 3.02Å
355	S	27	Very low	33.4	Very low	85 Å²	85	106.1 Å²	106.1	59%	0.594	62%	0.624	S	S	*	*			trans	-107.1	69.7	-179	63.7	0	0	0	0	111.9
356	S	26.7	Very low	32.4	Very low	120 Å²	120	112 Å²	112	84%	0.839	65%	0.649	S	S	*	*			trans	-117	69.5	158.2	67.7	0	0	0	0	108.9
357	S	27.2	Very low	31.4	Very low	80 Å²	80	117.8 Å²	117.8	56%	0.559	68%	0.679	S	S	*	*			trans	-94.5	124.4	162.9	57.6	0	0	0	0	108.9	Y359	S357-Y359 WeakPolarHBondContact O-CD2 3.48Å; S357-Y359 PolarHBondContact O-N 3.42Å
358	S	27.7	Very low	30.4	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	71%	0.71	S	S	*	*			trans	-46.5	118.5	174.5	49.5	0	0	0	0	113.2
359	Y	24.5	Very low	29.6	Very low	207 Å²	207	133.4 Å²	133.4	81%	0.812	75%	0.75	S	S	*	*			trans	-109.4	114.5	158.8	-74.8	-79.8	0	0	0	108.6	S357 S361	S357-Y359 WeakPolarHBondContact O-CD2 3.48Å; S357-Y359 PolarHBondContact O-N 3.42Å; Y359-S361 PolarHBondContact O-N 3.04Å
360	H	25.6	Very low	29.3	Very low	186 Å²	186	136.9 Å²	136.9	86%	0.861	77%	0.766	S	S	*	*			trans	-65	122.3	167.9	-89.8	-82.6	0	0	0	109.1	S362	H360-S362 PolarHBondContact O-N 3.44Å
361	S	24.7	Very low	29	Very low	128 Å²	128	134.6 Å²	134.6	90%	0.895	77%	0.767	S	S	*	*			trans	-73.7	118.3	167.6	-56.3	0	0	0	0	109.9	Y359	Y359-S361 PolarHBondContact O-N 3.04Å
362	S	23.5	Very low	29	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	79%	0.788	S	S	*	*			trans	-109.3	132.6	155.3	54	0	0	0	0	108.7	H360	H360-S362 PolarHBondContact O-N 3.44Å
363	A	29.2	Very low	28.9	Very low	112 Å²	112	137 Å²	137	93%	0.926	80%	0.796	S	S	*	*			trans	-69.2	147.1	-173.2	0	0	0	0	0	113.5
364	G	26	Very low	29.1	Very low	75 Å²	75	135.9 Å²	135.9	77%	0.773	78%	0.782	S	S	*	*			trans	125.2	88.9	163.1	0	0	0	0	0	113.1
365	D	26.1	Very low	29.4	Very low	165 Å²	165	138.3 Å²	138.3	88%	0.882	78%	0.783	S	S	*	*				-169.9	134.2	109.4	-133.4	-14.7	0	0	0	110.2
366	K	32.6	Very low	29.9	Very low	186 Å²	186	137 Å²	137	81%	0.809	78%	0.777	S	S	*	*			trans	-92.6	111.4	166.7	-76.8	178.5	174.5	-178.8	0	104.7
367	D	30.4	Very low	30.5	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	76%	0.764	S	S	*	*			trans	161	76	153.8	-81.9	-18.1	0	0	0	109.1
368	F	28.7	Very low	31.2	Very low	186 Å²	186	139.8 Å²	139.8	82%	0.816	77%	0.77	S	S	*	*			trans	-156.5	41.9	162	-131.2	-88.1	0	0	0	111.4
369	E	30.9	Very low	31.7	Very low	192 Å²	192	141.4 Å²	141.4	90%	0.897	77%	0.77	S	S	*	*			trans	-99.3	72.7	166.4	-82.3	-165.1	154.8	0	0	109.1
370	H	33.3	Very low	32.5	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.806	74%	0.738	S	S	*	*	S	Bend	trans	176.4	133.7	153.4	-112	-91.1	0	0	0	108.3
371	L	34.7	Very low	33.8	Very low	144 Å²	144	131.2 Å²	131.2	75%	0.754	73%	0.727	S	S	*	*			trans	80	106.5	-162.1	-66.5	88.8	0	0	0	110.7
372	V	33.1	Very low	34.8	Very low	132 Å²	132	126.4 Å²	126.4	80%	0.8	69%	0.69	S	S	*	*				-157	102.9	55.2	176.1	0	0	0	0	108.3
373	S	36	Very low	36.1	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	67%	0.669	S	S	*	*			trans	-88	113.6	154	177.9	0	0	0	0	105.6	K375	S373-K375 PolarHBondContact O-N 3.09Å
374	S	34.7	Very low	37.1	Very low	69 Å²	69	124 Å²	124	48%	0.483	64%	0.644	S	S	.	*			trans	-64.6	107.3	-174.4	-176.7	0	0	0	0	110.2	A376 F377	S374-A376 PolarHBondContact O-N 2.98Å; S374-A376 WeakPolarHBondContact OG-CB 3.42Å; S374-A376 PolarHBondContact OG-N 3.17Å; S374-F377 PolarHBondContact O-N 3.08Å; S374-F377 VanDerWaalsContact O-N 3.12Å
375	K	34.9	Very low	38.1	Very low	171 Å²	171	125.8 Å²	125.8	74%	0.743	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-16.5	170.9	-74	-177.5	176.1	179.9	0	112.7	S373 F377 L378	S373-K375 PolarHBondContact O-N 3.09Å; K375-F377 VanDerWaalsContact C-N 3.3Å; K375-F377 PolarHBondContact O-N 2.96Å; K375-L378 PolarHBondContact O-N 3.26Å
376	A	38.4	Very low	39.2	Very low	57 Å²	57	118.7 Å²	118.7	47%	0.471	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-28.5	177	0	0	0	0	0	113.1	S374 F380	S374-A376 PolarHBondContact O-N 2.98Å; S374-A376 WeakPolarHBondContact OG-CB 3.42Å; S374-A376 PolarHBondContact OG-N 3.17Å; A376-F380 VanDerWaalsContact O-CB 3.29Å; A376-F380 WeakPolarHBondContact O-CB 3.32Å
377	F	39	Very low	40	Very low	129 Å²	129	110.5 Å²	110.5	57%	0.566	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-36.3	177	178.3	-100.6	0	0	0	112.6	S374 K375 N379	S374-F377 PolarHBondContact O-N 3.08Å; S374-F377 VanDerWaalsContact O-N 3.12Å; K375-F377 VanDerWaalsContact C-N 3.3Å; K375-F377 PolarHBondContact O-N 2.96Å; F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 2.98Å
378	L	40.6	Very low	40.7	Very low	131 Å²	131	105.3 Å²	105.3	69%	0.686	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-18.4	-173.1	-67.2	171.6	0	0	0	113.7	K375	K375-L378 PolarHBondContact O-N 3.26Å
379	N	39.2	Very low	41.6	Very low	140 Å²	140	103.3 Å²	103.3	75%	0.749	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	11.4	-171.9	-65.9	-20.9	0	0	0	113.4	F377	F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 2.98Å
380	F	41	Very low	41.9	Very low	34 Å²	34	95.6 Å²	95.6	15%	0.149	50%	0.495	C	S	.	.			trans	-108	120.8	-169.8	-174.1	-91.4	0	0	0	112.8	I33 R34 F37 Y93 A376	I33-F380 HydrophobicContact CB-CE2 4.23Å; I33-F380 HydrophobicContact CG2-CE2 4.06Å; I33-F380 HydrophobicContact CG2-CZ 4.16Å; R34-F380 HydrophobicContact CG-CE2 3.99Å; R34-F380 HydrophobicContact CG-CZ 4.44Å; R34-F380 VanDerWaalsContact NH2-C 3.34Å; F37-F380 HydrophobicContact CD2-CZ 4.2Å; F37-F380 HydrophobicContact CE2-CE1 4.2Å; F37-F380 AromaticContact CE2-CZ 3.75Å; F37-F380 HydrophobicContact CE2-CZ 3.75Å; Y93-F380 HydrophobicContact CE1-CD1 4.21Å; Y93-F380 AromaticContact CE1-CE1 3.62Å; Y93-F380 HydrophobicContact CE1-CE1 3.62Å; Y93-F380 HydrophobicContact CE1-CZ 4.12Å; Y93-F380 HydrophobicContact CE2-CB 4.4Å; Y93-F380 AromaticContact CE2-CD1 3.43Å; Y93-F380 HydrophobicContact CE2-CD1 3.43Å; Y93-F380 VanDerWaalsContact CE2-CD1 3.43Å; Y93-F380 HydrophobicContact CE2-CD2 4.43Å; Y93-F380 AromaticContact CE2-CE1 3.66Å; Y93-F380 HydrophobicContact CE2-CE1 3.66Å; Y93-F380 AromaticContact CE2-CG 3.84Å; Y93-F380 HydrophobicContact CE2-CG 3.84Å; Y93-F380 HydrophobicContact CE2-CZ 4.25Å; Y93-F380 AromaticContact CZ-CD1 3.25Å; Y93-F380 AromaticContact CZ-CE1 3.11Å; Y93-F380 AromaticContact CZ-CZ 3.92Å; Y93-F380 WeakPolarHBondContact OH-CD1 3.29Å; Y93-F380 WeakPolarHBondContact OH-CE1 3.43Å; A376-F380 VanDerWaalsContact O-CB 3.29Å; A376-F380 WeakPolarHBondContact O-CB 3.32Å
381	K	52.7	Low	42.2	Very low	145 Å²	145	89 Å²	89	63%	0.63	46%	0.464	S	S	*	.			trans	-113.8	101.4	-175.9	-62.3	-166.1	179.1	-175.3	0	118.3	R34 E133 D383	R34-K381 PolarHBondContact NE-O 2.97Å; R34-K381 PolarHBondContact NH1-O 2.94Å; R34-K381 PolarHBondContact NH2-O 3.21Å; E133-K381 VanDerWaalsContact CD-CA 3.43Å; E133-K381 WeakPolarHBondContact OE1-CA 3.36Å; E133-K381 WeakPolarHBondContact OE1-CB 3.3Å; E133-K381 WeakPolarHBondContact OE1-CG 3.36Å; E133-K381 VanDerWaalsContact OE2-CA 3.3Å; E133-K381 WeakPolarHBondContact OE2-CA 3.44Å; E133-K381 WeakPolarHBondContact OE2-CB 3.31Å; K381-D383 PolarHBondContact O-N 3.37Å; K381-D383 VanDerWaalsContact O-N 3.15Å
382	F	46	Very low	42.4	Very low	27 Å²	27	85.9 Å²	85.9	12%	0.118	45%	0.448	C	S	.	.			trans	-78.9	85.5	177.5	-168.4	-96.4	0	0	0	113.9	F37 E133 L344 R384 I387	F37-F382 HydrophobicContact CB-CE2 4.09Å; F37-F382 HydrophobicContact CD1-CE2 4.14Å; F37-F382 HydrophobicContact CD2-CD2 4.45Å; F37-F382 HydrophobicContact CD2-CE2 4.35Å; F37-F382 HydrophobicContact CG-CD2 4.48Å; F37-F382 AromaticContact CG-CE2 3.93Å; F37-F382 HydrophobicContact CG-CE2 3.93Å; E133-F382 HydrophobicContact CB-CB 4.14Å; E133-F382 WeakPolarHBondContact CB-O 3.1Å; E133-F382 WeakPolarHBondContact OE2-CA 3.4Å; E133-F382 PolarHBondContact OE2-N 3.01Å; L344-F382 HydrophobicContact CD1-CD1 4.49Å; L344-F382 HydrophobicContact CD1-CD2 4.26Å; L344-F382 HydrophobicContact CD1-CE1 4.06Å; L344-F382 HydrophobicContact CD1-CE2 3.82Å; L344-F382 HydrophobicContact CD1-CZ 3.71Å; L344-F382 HydrophobicContact CD2-CE2 4.22Å; L344-F382 HydrophobicContact CD2-CZ 3.99Å; L344-F382 HydrophobicContact CG-CE2 4.5Å; L344-F382 HydrophobicContact CG-CZ 4.08Å; F382-R384 PolarHBondContact O-N 3.49Å; F382-I387 HydrophobicContact CD1-CD1 4.44Å; F382-I387 HydrophobicContact CD2-CD1 4.22Å; F382-I387 HydrophobicContact CE1-CD1 3.77Å; F382-I387 HydrophobicContact CE2-CD1 3.5Å; F382-I387 VanDerWaalsContact CE2-CD1 3.5Å; F382-I387 HydrophobicContact CZ-CD1 3.24Å
383	D	50.7	Low	42.5	Very low	69 Å²	69	92.7 Å²	92.7	37%	0.369	46%	0.461	S	S	.	.			trans	-69.7	89.1	178.7	-171.6	-18.8	0	0	0	111.7	E133 K381 D385 A386 I387	E133-D383 PolarHBondContact OE2-N 3.33Å; K381-D383 PolarHBondContact O-N 3.37Å; K381-D383 VanDerWaalsContact O-N 3.15Å; D383-D385 PolarHBondContact O-N 2.82Å; D383-D385 WeakPolarHBondContact OD1-CA 3.47Å; D383-D385 PolarHBondContact OD1-N 3.36Å; D383-A386 HydrophobicContact CB-CB 4Å; D383-A386 VanDerWaalsContact CG-CB 3.49Å; D383-A386 PolarHBondContact O-N 3.16Å; D383-A386 PolarHBondContact OD1-N 3.23Å; D383-I387 VanDerWaalsContact O-CG1 3.3Å; D383-I387 WeakPolarHBondContact O-CG1 3.44Å; D383-I387 PolarHBondContact O-N 2.61Å
384	R	51.2	Low	42.9	Very low	109 Å²	109	91.7 Å²	91.7	41%	0.411	45%	0.445	S	S	.	.	H	α-helix	trans	-57.5	-36	174.2	-179	-176.3	177.6	-166.4	2.4	111.9	F382 I387 M388	F382-R384 PolarHBondContact O-N 3.49Å; R384-I387 WeakPolarHBondContact O-CB 3.49Å; R384-I387 PolarHBondContact O-N 2.69Å; R384-M388 HydrophobicContact CG-CG 3.84Å; R384-M388 VanDerWaalsContact O-CB 3.3Å; R384-M388 WeakPolarHBondContact O-CB 3.44Å; R384-M388 WeakPolarHBondContact O-CG 3.22Å; R384-M388 PolarHBondContact O-N 3.15Å
385	D	46.5	Very low	43.3	Very low	113 Å²	113	92.9 Å²	92.9	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-71.6	-35.8	-174.8	-72.7	-21.3	0	0	0	111.6	D383 I387 M388 K389	D383-D385 PolarHBondContact O-N 2.82Å; D383-D385 WeakPolarHBondContact OD1-CA 3.47Å; D383-D385 PolarHBondContact OD1-N 3.36Å; D385-I387 VanDerWaalsContact C-N 3.33Å; D385-M388 PolarHBondContact O-N 3.05Å; D385-K389 WeakPolarHBondContact O-CG 3.2Å; D385-K389 PolarHBondContact O-N 3.49Å; D385-K389 VanDerWaalsContact O-N 3.1Å
386	A	49.1	Very low	43.8	Very low	17 Å²	17	88.6 Å²	88.6	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-61.6	-41.7	169.9	0	0	0	0	0	111.7	P25 E28 D383	P25-A386 HydrophobicContact CG-CB 4.35Å; E28-A386 WeakPolarHBondContact OE1-CB 3.38Å; D383-A386 HydrophobicContact CB-CB 4Å; D383-A386 VanDerWaalsContact CG-CB 3.49Å; D383-A386 PolarHBondContact O-N 3.16Å; D383-A386 PolarHBondContact OD1-N 3.23Å
387	I	48.4	Very low	44.1	Very low	13 Å²	13	90.4 Å²	90.4	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-67.9	-41.2	176.9	-59.3	-177.9	0	0	0	111.5	L41 F382 D383 R384 D385 K389 C390 F391	L41-I387 HydrophobicContact CD1-CG2 3.39Å; F382-I387 HydrophobicContact CD1-CD1 4.44Å; F382-I387 HydrophobicContact CD2-CD1 4.22Å; F382-I387 HydrophobicContact CE1-CD1 3.77Å; F382-I387 HydrophobicContact CE2-CD1 3.5Å; F382-I387 VanDerWaalsContact CE2-CD1 3.5Å; F382-I387 HydrophobicContact CZ-CD1 3.24Å; D383-I387 VanDerWaalsContact O-CG1 3.3Å; D383-I387 WeakPolarHBondContact O-CG1 3.44Å; D383-I387 PolarHBondContact O-N 2.61Å; R384-I387 WeakPolarHBondContact O-CB 3.49Å; R384-I387 PolarHBondContact O-N 2.69Å; D385-I387 VanDerWaalsContact C-N 3.33Å; I387-K389 PolarHBondContact O-N 3.15Å; I387-C390 WeakPolarHBondContact O-CB 3.49Å; I387-C390 PolarHBondContact O-N 3.19Å; I387-F391 HydrophobicContact CG2-CE2 4.23Å; I387-F391 WeakPolarHBondContact O-CD2 3.34Å
388	M	46.5	Very low	44.4	Very low	47 Å²	47	88 Å²	88	23%	0.232	42%	0.415	C	S	.	.	H	α-helix	trans	-69.2	-32.5	-176.8	-74.1	-60.2	-74.3	0	0	112.7	P341 R384 D385 C390 F391	P341-M388 HydrophobicContact CB-CE 4.31Å; P341-M388 HydrophobicContact CB-SD 3.4Å; P341-M388 WeakPolarHBondContact CB-SD 3.47Å; P341-M388 HydrophobicContact CG-CE 3.62Å; P341-M388 HydrophobicContact CG-SD 3.31Å; P341-M388 WeakPolarHBondContact CG-SD 3.34Å; R384-M388 HydrophobicContact CG-CG 3.84Å; R384-M388 VanDerWaalsContact O-CB 3.3Å; R384-M388 WeakPolarHBondContact O-CB 3.44Å; R384-M388 WeakPolarHBondContact O-CG 3.22Å; R384-M388 PolarHBondContact O-N 3.15Å; D385-M388 PolarHBondContact O-N 3.05Å; M388-C390 PolarHBondContact O-N 3.17Å; M388-F391 PolarHBondContact O-N 3.13Å
389	K	46.7	Very low	44.6	Very low	144 Å²	144	85.1 Å²	85.1	63%	0.626	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-59.8	-24.4	173.9	-79	172.5	-177.1	169.3	0	113.6	D385 I387 F391 D392	D385-K389 WeakPolarHBondContact O-CG 3.2Å; D385-K389 PolarHBondContact O-N 3.49Å; D385-K389 VanDerWaalsContact O-N 3.1Å; I387-K389 PolarHBondContact O-N 3.15Å; K389-F391 PolarHBondContact O-N 3.19Å; K389-D392 PolarHBondContact O-N 3.41Å
390	C	37.3	Very low	45	Very low	30 Å²	30	81.2 Å²	81.2	20%	0.203	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-72.9	-12.7	176.9	-61	0	0	0	0	113.6	I387 M388	I387-C390 WeakPolarHBondContact O-CB 3.49Å; I387-C390 PolarHBondContact O-N 3.19Å; M388-C390 PolarHBondContact O-N 3.17Å
391	F	40.3	Very low	45.3	Very low	36 Å²	36	84.8 Å²	84.8	16%	0.158	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-103.5	5.7	178.6	-62.4	-81.6	0	0	0	113.4	F20 L41 P339 I387 M388 K389	F20-F391 AromaticContact CE1-CE1 3.83Å; F20-F391 HydrophobicContact CE1-CE1 3.83Å; F20-F391 AromaticContact CE1-CZ 3.81Å; F20-F391 HydrophobicContact CE1-CZ 3.81Å; F20-F391 HydrophobicContact CZ-CE1 4.41Å; L41-F391 HydrophobicContact CD1-CE2 4.45Å; L41-F391 HydrophobicContact CD1-CZ 4.45Å; P339-F391 HydrophobicContact CB-CD1 4.5Å; P339-F391 HydrophobicContact CG-CD1 3.89Å; I387-F391 HydrophobicContact CG2-CE2 4.23Å; I387-F391 WeakPolarHBondContact O-CD2 3.34Å; M388-F391 PolarHBondContact O-N 3.13Å; K389-F391 PolarHBondContact O-N 3.19Å
392	D	38.6	Very low	44.7	Very low	79 Å²	79	79.8 Å²	79.8	42%	0.422	37%	0.369	S	S	.	.			trans	-93.6	5.4	-173.8	-84.6	18.1	0	0	0	114.3	R338 K389	R338-D392 IonicContact CZ-OD1 2.8Å; R338-D392 IonicContact CZ-OD2 3.14Å; R338-D392 IonicContact NE-OD1 3.67Å; R338-D392 PolarHBondContact NE-OD1 2.91Å; R338-D392 IonicContact NH1-OD1 3.36Å; R338-D392 PolarHBondContact NH1-OD1 2.96Å; R338-D392 IonicContact NH1-OD2 2.65Å; R338-D392 VanDerWaalsContact NH2-CB 3.28Å; R338-D392 IonicContact NH2-OD1 3.61Å; R338-D392 PolarHBondContact NH2-OD1 3.29Å; R338-D392 IonicContact NH2-OD2 2.73Å; R338-D392 PolarHBondContact NH2-OD2 3.45Å; K389-D392 PolarHBondContact O-N 3.41Å
393	Y	35.5	Very low	44.6	Very low	274 Å²	274	84.6 Å²	84.6	100%	1.075	39%	0.392	S	S	*	.			trans	-105.8	0	-177.9	-68	-78.8	0	0	0	114.7

Retrieved 393 of 393 residues in 458.7 ms (Link to these results)

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