A0A096NR61_PAPAN Loading...

NAD(P)H oxidoreductase RTN4IP1, mitochondrial

NAD(P)H oxidoreductase involved in the ubiquinone biosynthetic pathway. Required for the O-methyltransferase activity of COQ3. Able to catalyze the oxidoreduction of 3-demethylubiquinone into 3-demethylubiquinol in vitro. However, it is unclear if 3-demethylubiquinone constitutes a substrate in vivo. May also play a role in the regulation of retinal ganglion cell (RGC) neurite outgrowth, and hence in the development of the inner retina and optic nerve. Appears to be a potent inhibitor of regeneration following spinal cord injury.

AlphaFold DB , UniProt , Accession A0A096NR61, Species PAPAN (Papio anubis, Olive baboon), Gene RTN4IP1, Length 396 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	34.7	Very low	31.6	Very low	241 Å²	241	179.5 Å²	179.5	100%	1.187	83%	0.831	S	S	*	*				0	117.4	0	-72.8	-174.2	-112.1	0	0	106
2	E	31.9	Very low	31.5	Very low	162 Å²	162	178.5 Å²	178.5	76%	0.757	84%	0.837	S	S	*	*			cis	-162.2	124.7	9.6	-94.4	-163.4	127	0	0	104.1
3	F	28.9	Very low	31.5	Very low	176 Å²	176	172 Å²	172	77%	0.772	83%	0.832	S	S	*	*				94.7	119.3	108.9	-95.8	-96.8	0	0	0	116.2
4	L	34.7	Very low	31.4	Very low	157 Å²	157	168.8 Å²	168.8	82%	0.822	83%	0.834	S	S	*	*			trans	-39.5	151.7	151.9	-82.3	76.2	0	0	0	113.2
5	K	33.6	Very low	31.7	Very low	192 Å²	192	166.9 Å²	166.9	84%	0.835	84%	0.836	S	S	*	*			trans	168	140.5	138.7	-96.9	167	-175.8	-179.6	0	108.2
6	T	34.6	Very low	32	Very low	123 Å²	123	162.1 Å²	162.1	76%	0.755	83%	0.83	S	S	*	*			cis	-165.6	147.2	-5.4	-41.5	0	0	0	0	105.6
7	Y	28	Very low	32.2	Very low	203 Å²	203	160.1 Å²	160.1	80%	0.796	83%	0.827	S	S	*	*			trans	-59.5	139.1	159.2	-95.8	-111.8	0	0	0	112
8	V	32.8	Very low	32.1	Very low	145 Å²	145	157.4 Å²	157.4	88%	0.879	82%	0.823	S	S	*	*			trans	-144.1	126.2	135.9	177.2	0	0	0	0	109.8
9	L	28.8	Very low	32.3	Very low	115 Å²	115	159.1 Å²	159.1	60%	0.602	82%	0.823	S	S	*	*			trans	-67.8	147.6	177.4	-65.6	109.8	0	0	0	113.3	R11	L9-R11 HydrophobicContact CD2-CG 4.33Å
10	R	29.2	Very low	32.4	Very low	251 Å²	251	162.8 Å²	162.8	95%	0.947	83%	0.826	S	S	*	*				-141.7	109.1	126.3	-106	-177.8	-173.9	-161.9	1.1	110.4
11	R	30.3	Very low	32.6	Very low	209 Å²	209	166.4 Å²	166.4	79%	0.789	83%	0.83	S	S	*	*			trans	-61.3	138.6	164.5	-71.8	173.8	168.5	178.3	-5	108.8	L9	L9-R11 HydrophobicContact CD2-CG 4.33Å
12	N	30.5	Very low	32.8	Very low	168 Å²	168	159.8 Å²	159.8	90%	0.898	81%	0.807	S	S	*	*				-136.7	118.4	129.3	-96.8	-15.8	0	0	0	107.8
13	A	31.4	Very low	33.3	Very low	94 Å²	94	161.7 Å²	161.7	78%	0.777	81%	0.813	S	S	*	*			trans	-75.5	134.5	-177.1	0	0	0	0	0	109.6
14	C	30.9	Very low	33.9	Very low	127 Å²	127	159.2 Å²	159.2	86%	0.858	81%	0.812	S	S	*	*			trans	-131.9	113.4	150.4	-120.4	0	0	0	0	107.2	A16	C14-A16 PolarHBondContact O-N 2.89Å
15	T	35.8	Very low	34.3	Very low	141 Å²	141	158 Å²	158	87%	0.865	81%	0.81	S	S	*	*			trans	-54.8	115.4	175.6	35.4	0	0	0	0	111.2
16	A	35.5	Very low	34.7	Very low	89 Å²	89	157.2 Å²	157.2	74%	0.736	81%	0.81	S	S	*	*			trans	-124	118.4	163	0	0	0	0	0	108.6	C14 C18	C14-A16 PolarHBondContact O-N 2.89Å; A16-C18 PolarHBondContact O-N 2.92Å
17	V	35.5	Very low	35.4	Very low	129 Å²	129	160.3 Å²	160.3	78%	0.782	81%	0.813	S	S	*	*			trans	-64.2	110.7	-176.9	176.9	0	0	0	0	109.3	F19	V17-F19 HydrophobicContact CG1-CD2 4.46Å; V17-F19 PolarHBondContact O-N 2.75Å; V17-F19 VanDerWaalsContact O-N 3.11Å
18	C	30.6	Very low	36.3	Very low	112 Å²	112	156.1 Å²	156.1	76%	0.757	81%	0.811	S	S	*	*			trans	-71.9	99.4	173.8	-82.2	0	0	0	0	110.5	A16 W20	A16-C18 PolarHBondContact O-N 2.92Å; C18-W20 PolarHBondContact O-N 3.27Å; C18-W20 VanDerWaalsContact O-N 3.12Å
19	F	35.2	Very low	37.2	Very low	188 Å²	188	154.4 Å²	154.4	83%	0.825	81%	0.805	S	S	*	*			trans	-68.2	100.8	158.8	-95.2	-92	0	0	0	109.1	V17 R21	V17-F19 HydrophobicContact CG1-CD2 4.46Å; V17-F19 PolarHBondContact O-N 2.75Å; V17-F19 VanDerWaalsContact O-N 3.11Å; F19-R21 PolarHBondContact O-N 3.14Å
20	W	34.3	Very low	38.1	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.883	81%	0.814	S	S	*	*			trans	-64.6	102.6	163.4	-89.8	58.5	0	0	0	108.6	C18 S22	C18-W20 PolarHBondContact O-N 3.27Å; C18-W20 VanDerWaalsContact O-N 3.12Å; W20-S22 PolarHBondContact O-N 3.21Å
21	R	37.8	Very low	39	Very low	240 Å²	240	154 Å²	154	91%	0.906	81%	0.81	S	S	*	*			trans	-69.5	97.2	162.5	-78.7	-174.5	175.4	-166.5	-0.6	107.9	F19 K23	F19-R21 PolarHBondContact O-N 3.14Å; R21-K23 PolarHBondContact O-N 2.93Å
22	S	39.6	Very low	39.5	Very low	102 Å²	102	155.5 Å²	155.5	71%	0.713	82%	0.815	S	S	*	*			trans	-55.4	115.8	162.1	17.3	0	0	0	0	108.4	W20 V24	W20-S22 PolarHBondContact O-N 3.21Å; S22-V24 PolarHBondContact O-N 2.73Å
23	K	41.1	Very low	40.2	Very low	201 Å²	201	154.5 Å²	154.5	87%	0.874	81%	0.809	S	S	*	*			trans	-59.2	106.3	168.1	-81.7	-179	175.8	178.1	0	107.6	R21 V25	R21-K23 PolarHBondContact O-N 2.93Å; K23-V25 PolarHBondContact O-N 3.31Å; K23-V25 VanDerWaalsContact O-N 3.09Å
24	V	41.4	Very low	40.9	Very low	124 Å²	124	155 Å²	155	75%	0.752	81%	0.806	S	S	*	*			trans	-66.3	107.1	166.6	177.7	0	0	0	0	106.5	S22 Q26	S22-V24 PolarHBondContact O-N 2.73Å; V24-Q26 PolarHBondContact O-N 2.89Å
25	V	43.6	Very low	41.6	Very low	131 Å²	131	154.5 Å²	154.5	79%	0.794	80%	0.799	S	S	*	*			trans	-64.7	101	164.4	176.6	0	0	0	0	106.1	K23 K27	K23-V25 PolarHBondContact O-N 3.31Å; K23-V25 VanDerWaalsContact O-N 3.09Å; V25-K27 PolarHBondContact O-N 3.39Å
26	Q	41.4	Very low	42.3	Very low	177 Å²	177	152.8 Å²	152.8	83%	0.827	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.3	121.6	169.7	-86.5	-173.9	-18.1	0	0	108.3	V24	V24-Q26 PolarHBondContact O-N 2.89Å
27	K	49.3	Very low	43	Very low	187 Å²	187	153.3 Å²	153.3	81%	0.813	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-47.5	141.1	177.1	-74.9	174.7	174.1	176.6	0	110.4	V25 S29	V25-K27 PolarHBondContact O-N 3.39Å; K27-S29 PolarHBondContact O-N 3.17Å
28	P	47.9	Very low	43.5	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-55.1	139.6	170.8	23.8	-30.9	0	0	0	108.9	V30	P28-V30 PolarHBondContact O-N 3.39Å
29	S	50.8	Low	44.9	Very low	109 Å²	109	158 Å²	158	76%	0.762	79%	0.792	S	S	*	*			trans	-50.2	115.2	175.7	61.6	0	0	0	0	108.5	K27 R31	K27-S29 PolarHBondContact O-N 3.17Å; S29-R31 PolarHBondContact O-N 3.46Å
30	V	48.2	Very low	46.6	Very low	131 Å²	131	152.5 Å²	152.5	79%	0.794	78%	0.777	S	S	*	*			trans	-58.2	108.1	171.2	179.6	0	0	0	0	105.5	P28 R32	P28-V30 PolarHBondContact O-N 3.39Å; V30-R32 PolarHBondContact O-N 3.33Å
31	R	47.5	Very low	49.2	Very low	227 Å²	227	145.8 Å²	145.8	86%	0.857	76%	0.762	S	S	*	*			trans	-54	114.1	164.6	-81.5	-176.2	176.6	-177.9	-0.9	104.8	S29 I33	S29-R31 PolarHBondContact O-N 3.46Å; R31-I33 PolarHBondContact O-N 3.04Å
32	R	41.4	Very low	51.9	Low	240 Å²	240	137.1 Å²	137.1	91%	0.906	73%	0.733	S	S	*	*			trans	-59.6	100.1	164.3	-85.8	-173.5	-173.9	-176.5	2.2	105.5	V30 S34	V30-R32 PolarHBondContact O-N 3.33Å; R32-S34 PolarHBondContact O-N 3.32Å
33	I	45.2	Very low	54.5	Low	148 Å²	148	132.7 Å²	132.7	76%	0.759	70%	0.701	S	S	*	*			trans	-66	94.1	160.6	-61	175	0	0	0	103.5	R31 T35	R31-I33 PolarHBondContact O-N 3.04Å; I33-T35 VanDerWaalsContact C-N 3.26Å; I33-T35 HydrophobicContact CG2-CG2 4.44Å; I33-T35 PolarHBondContact O-N 3.31Å
34	S	46.3	Very low	57.2	Low	104 Å²	104	124.9 Å²	124.9	73%	0.727	67%	0.671	S	S	*	*			trans	-67.9	97	163.9	-174.6	0	0	0	0	105.3	R32 T36	R32-S34 PolarHBondContact O-N 3.32Å; S34-T36 PolarHBondContact O-N 3.27Å
35	T	44.8	Very low	59.9	Low	116 Å²	116	119 Å²	119	71%	0.712	64%	0.635	S	S	*	*			trans	-57.5	114.3	160.9	50.3	0	0	0	0	105.9	I33	I33-T35 VanDerWaalsContact C-N 3.26Å; I33-T35 HydrophobicContact CG2-CG2 4.44Å; I33-T35 PolarHBondContact O-N 3.31Å
36	T	51.3	Low	62.6	Low	105 Å²	105	113.9 Å²	113.9	64%	0.644	60%	0.602	S	S	*	*			trans	-39.3	143.6	167.4	47.4	0	0	0	0	110.1	S34	S34-T36 PolarHBondContact O-N 3.27Å
37	S	49.1	Very low	65.3	Low	101 Å²	101	105.5 Å²	105.5	71%	0.706	56%	0.563	S	S	*	*	S	Bend	trans	-25.1	140.7	173.5	-50.7	0	0	0	0	113.3	R39	S37-R39 PolarHBondContact O-N 3.27Å
38	P	46.8	Very low	67.7	Low	132 Å²	132	96.6 Å²	96.6	86%	0.857	52%	0.524	S	S	*	.			trans	-46.4	112.9	-177.1	18.1	-30.2	0	0	0	109	S40	P38-S40 PolarHBondContact O-N 3.43Å
39	R	59.7	Low	70.1	Confident	207 Å²	207	94.5 Å²	94.5	78%	0.781	51%	0.506	S	S	*	.			trans	-58.9	112.2	175.8	-76.6	-175.7	178.3	-173.6	-2.9	104.9	S37 T41	S37-R39 PolarHBondContact O-N 3.27Å; R39-T41 PolarHBondContact O-N 3.15Å; R39-T41 VanDerWaalsContact O-N 3.08Å
40	S	71	Confident	72.3	Confident	72 Å²	72	95.8 Å²	95.8	50%	0.503	50%	0.498	S	S	.	.			trans	-52.9	121.6	170.7	-173.4	0	0	0	0	106.5	P38 I42 I65	P38-S40 PolarHBondContact O-N 3.43Å; S40-I42 PolarHBondContact OG-O 2.67Å; S40-I65 WeakPolarHBondContact O-CD1 3.41Å
41	T	88.4	Confident	74.7	Confident	92 Å²	92	92.6 Å²	92.6	56%	0.564	47%	0.472	S	S	*	.	S	Bend	trans	-87.6	-3.7	175.6	50.5	0	0	0	0	111.6	R39 M64 I65	R39-T41 PolarHBondContact O-N 3.15Å; R39-T41 VanDerWaalsContact O-N 3.08Å; T41-M64 WeakPolarHBondContact O-CA 3.28Å; T41-I65 PolarHBondContact O-N 3.5Å
42	I	94.5	Very high	77.1	Confident	59 Å²	59	82.9 Å²	82.9	30%	0.303	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.2	-178.7	60	175.6	0	0	0	111.2	S40 M63 M64	S40-I42 PolarHBondContact OG-O 2.67Å; I42-M63 CarbonylContact C-O 3.38Å; I42-M63 WeakPolarHBondContact CA-O 3.27Å; I42-M64 HydrophobicContact CG2-SD 4.21Å
43	M	95.5	Very high	79.9	Confident	9 Å²	9	78.9 Å²	78.9	4%	0.044	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.8	179.5	63.2	170	-172.5	0	0	111.4	Q61 M63 I65 E157 F158	M43-Q61 CarbonylContact C-O 3.51Å; M43-Q61 CarbonylContact O-C 3.35Å; M43-M63 HydrophobicContact CE-CB 4.41Å; M43-M63 HydrophobicContact CE-CG 4.01Å; M43-M63 HydrophobicContact CG-CB 4.17Å; M43-M63 WeakPolarHBondContact CG-O 3.49Å; M43-M63 PolarHBondContact N-O 3.2Å; M43-M63 WeakPolarHBondContact O-CB 3.21Å; M43-M63 PolarHBondContact O-N 3.02Å; M43-M63 VanDerWaalsContact O-N 3.09Å; M43-I65 HydrophobicContact CB-CG1 4.04Å; M43-I65 HydrophobicContact CG-CG1 4.32Å; M43-E157 HydrophobicContact CB-CB 4.04Å; M43-E157 HydrophobicContact SD-CB 4.42Å; M43-F158 HydrophobicContact CB-CD2 4.08Å; M43-F158 HydrophobicContact CB-CE2 4.48Å; M43-F158 HydrophobicContact SD-CB 3.8Å; M43-F158 HydrophobicContact SD-CD2 3.84Å; M43-F158 HydrophobicContact SD-CG 4.34Å; M43-F158 PolarHBondContact SD-N 3.37Å
44	P	97.6	Very high	82.4	Confident	36 Å²	36	72.8 Å²	72.8	23%	0.234	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.6	168.8	31.4	-31.7	0	0	0	112.3	F59 T60 E157 F372	P44-F59 HydrophobicContact CB-CE2 3.91Å; P44-F59 HydrophobicContact CB-CZ 3.85Å; P44-T60 CarbonylContact C-O 3.49Å; P44-T60 WeakPolarHBondContact CA-O 3.5Å; P44-E157 WeakPolarHBondContact CD-OE2 3.04Å; P44-E157 HydrophobicContact CG-CB 4.02Å; P44-E157 PolarHBondContact O-N 3.03Å; P44-F372 HydrophobicContact CB-CE1 4.29Å
45	A	98.5	Very high	84.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.3	177.2	0	0	0	0	0	111.8	V47 T60 M63	A45-V47 HydrophobicContact CB-CG1 4.17Å; A45-T60 HydrophobicContact CB-CG2 4.28Å; A45-T60 PolarHBondContact N-O 3.12Å; A45-T60 PolarHBondContact O-N 2.83Å; A45-M63 HydrophobicContact CB-CB 3.89Å; A45-M63 HydrophobicContact CB-CG 4.17Å
46	W	98.8	Very high	87.4	Confident	25 Å²	25	70.8 Å²	70.8	10%	0.095	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.6	162.5	-76.9	90.9	0	0	0	109.7	L57 F59 L155 F372 V375 P376	W46-L57 HydrophobicContact CE3-CB 4.03Å; W46-L57 HydrophobicContact CZ3-CB 4.2Å; W46-F59 HydrophobicContact CD2-CB 4.04Å; W46-F59 HydrophobicContact CD2-CD2 4.32Å; W46-F59 AromaticContact CE2-CD2 3.86Å; W46-F59 HydrophobicContact CE3-CB 4.08Å; W46-F59 HydrophobicContact CG-CD2 4.43Å; W46-F59 HydrophobicContact CH2-CB 3.85Å; W46-F59 HydrophobicContact CZ2-CB 3.81Å; W46-F59 HydrophobicContact CZ2-CD2 4.33Å; W46-F59 HydrophobicContact CZ2-CG 4.37Å; W46-F59 HydrophobicContact CZ3-CB 3.98Å; W46-F59 AromaticContact NE1-CD2 3.66Å; W46-L155 HydrophobicContact CB-CB 4.3Å; W46-L155 PolarHBondContact N-O 3.42Å; W46-F372 AromaticContact CD1-CE2 3.63Å; W46-F372 AromaticContact CD1-CZ 3.64Å; W46-F372 PolarHBondContact NE1-O 3.38Å; W46-V375 HydrophobicContact CB-CG1 4.19Å; W46-V375 HydrophobicContact CD2-CB 3.93Å; W46-V375 HydrophobicContact CD2-CG1 4.14Å; W46-V375 HydrophobicContact CG-CB 3.9Å; W46-V375 HydrophobicContact CG-CG1 3.92Å; W46-V375 HydrophobicContact CG-CG2 4.12Å; W46-V375 HydrophobicContact CZ2-CB 4.43Å; W46-P376 HydrophobicContact CE3-CG 4.15Å; W46-P376 VanDerWaalsContact CH2-CD 3.41Å; W46-P376 HydrophobicContact CH2-CG 3.3Å; W46-P376 HydrophobicContact CZ2-CG 4.05Å; W46-P376 HydrophobicContact CZ3-CG 3.36Å
47	V	98.8	Very high	89.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	165.2	-176.8	-58.5	0	0	0	0	111.1	A45 R58 T60 M63 P116 L117	A45-V47 HydrophobicContact CB-CG1 4.17Å; V47-R58 PolarHBondContact N-O 3.25Å; V47-R58 PolarHBondContact O-N 3.44Å; V47-T60 HydrophobicContact CG1-CG2 4.34Å; V47-T60 HydrophobicContact CG2-CG2 4.22Å; V47-M63 HydrophobicContact CG1-SD 4.34Å; V47-P116 HydrophobicContact CB-CB 4Å; V47-P116 HydrophobicContact CG1-CB 4.26Å; V47-P116 HydrophobicContact CG2-CB 4.02Å; V47-L117 CarbonylContact C-O 3.55Å; V47-L117 VanDerWaalsContact CA-O 3.3Å; V47-L117 WeakPolarHBondContact CA-O 3.29Å
48	I	98.8	Very high	92.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143	162.5	65.9	174	0	0	0	108.8	Y51 V56 L57 R91 F115 P116 L117 L119	I48-Y51 HydrophobicContact CD1-CD1 4.03Å; I48-Y51 HydrophobicContact CD1-CE1 4.33Å; I48-V56 HydrophobicContact CB-CG2 4.06Å; I48-V56 HydrophobicContact CG2-CB 4.44Å; I48-V56 HydrophobicContact CG2-CG2 3.65Å; I48-L57 HydrophobicContact CG2-CD2 3.86Å; I48-L57 HydrophobicContact CG2-CG 4.44Å; I48-R91 HydrophobicContact CG2-CG 4.22Å; I48-F115 HydrophobicContact CD1-CE1 3.98Å; I48-F115 HydrophobicContact CG1-CD1 4.17Å; I48-F115 HydrophobicContact CG1-CE1 3.84Å; I48-F115 VanDerWaalsContact O-CD1 3.22Å; I48-F115 WeakPolarHBondContact O-CD1 3.42Å; I48-P116 WeakPolarHBondContact O-CA 3.47Å; I48-L117 HydrophobicContact CD1-CD2 4.19Å; I48-L117 HydrophobicContact CG1-CB 3.87Å; I48-L117 HydrophobicContact CG1-CD2 4.44Å; I48-L117 HydrophobicContact CG1-CG 4.47Å; I48-L117 PolarHBondContact N-O 3.22Å; I48-L117 PolarHBondContact O-N 3.03Å; I48-L119 HydrophobicContact CG2-CD1 4.34Å
49	D	98.4	Very high	94.5	Very high	71 Å²	71	64 Å²	64	38%	0.38	31%	0.307	S	S	.	.	S	Bend	trans	-104.4	-7.4	175.9	-52.3	-63.9	0	0	0	112.5	R58 F115	D49-R58 IonicContact OD1-CZ 3.52Å; D49-R58 IonicContact OD1-NE 2.71Å; D49-R58 IonicContact OD1-NH2 3.92Å; D49-R58 PolarHBondContact OD1-NH2 3.27Å; D49-R58 IonicContact OD2-CZ 2.76Å; D49-R58 IonicContact OD2-NE 3.53Å; D49-R58 PolarHBondContact OD2-NE 3.21Å; D49-R58 IonicContact OD2-NH2 2.68Å; D49-R58 PolarHBondContact OD2-NH2 3.27Å; D49-R58 VanDerWaalsContact OD2-NH2 3.17Å; D49-F115 WeakPolarHBondContact O-CD2 3.19Å; D49-F115 WeakPolarHBondContact O-CG 3.37Å
50	K	98.3	Very high	96.4	Very high	136 Å²	136	55 Å²	55	59%	0.591	28%	0.275	S	S	*	.	S	Bend	trans	-157.1	158.5	173.6	63.8	-177.9	-178.7	-179.2	0	108.9	V56	K50-V56 HydrophobicContact CG-CG1 3.98Å
51	Y	98.6	Very high	97.6	Very high	64 Å²	64	57.9 Å²	57.9	25%	0.251	28%	0.28	S	S	.	.			trans	-71.4	146.9	170.2	-57.7	-60.8	0	0	0	111.3	I48 M90 R91 G93 A96 E114 F115 L117	I48-Y51 HydrophobicContact CD1-CD1 4.03Å; I48-Y51 HydrophobicContact CD1-CE1 4.33Å; Y51-M90 VanDerWaalsContact CD1-O 3.27Å; Y51-M90 WeakPolarHBondContact CD1-O 3.42Å; Y51-R91 CarbonylContact C-O 3.52Å; Y51-R91 VanDerWaalsContact CA-O 3.27Å; Y51-R91 WeakPolarHBondContact CA-O 3.5Å; Y51-G93 VanDerWaalsContact CG-CA 3.49Å; Y51-A96 HydrophobicContact CE2-CB 3.75Å; Y51-E114 WeakPolarHBondContact CE2-OE1 3.47Å; Y51-E114 PolarHBondContact OH-OE1 2.74Å; Y51-F115 HydrophobicContact CD1-CE1 4.3Å; Y51-F115 HydrophobicContact CD1-CZ 4Å; Y51-F115 HydrophobicContact CD2-CE2 4.46Å; Y51-F115 AromaticContact CD2-CZ 3.77Å; Y51-F115 HydrophobicContact CD2-CZ 3.77Å; Y51-F115 HydrophobicContact CE1-CE1 4.07Å; Y51-F115 AromaticContact CE1-CZ 3.85Å; Y51-F115 HydrophobicContact CE1-CZ 3.85Å; Y51-F115 HydrophobicContact CE2-CE2 4.17Å; Y51-F115 AromaticContact CE2-CZ 3.56Å; Y51-F115 HydrophobicContact CE2-CZ 3.56Å; Y51-F115 AromaticContact CG-CZ 3.97Å; Y51-F115 HydrophobicContact CG-CZ 3.97Å; Y51-F115 AromaticContact CZ-CZ 3.61Å; Y51-L117 HydrophobicContact CE1-CD2 4.38Å
52	G	98.3	Very high	98	Very high	23 Å²	23	58.9 Å²	58.9	24%	0.237	28%	0.282	C	S	.	.			trans	168.5	-164.3	176.3	0	0	0	0	0	115.1	R91	G52-R91 PolarHBondContact N-O 3.14Å; G52-R91 CarbonylContact O-C 3.57Å; G52-R91 PolarHBondContact O-NE 2.94Å; G52-R91 VanDerWaalsContact O-NE 3.14Å
53	K	98.4	Very high	98.1	Very high	155 Å²	155	57.9 Å²	57.9	67%	0.674	28%	0.276	S	S	*	.	S	Bend	trans	-68.7	176.6	173.5	-65.7	-176	-179.5	178.5	0	110.8	E55 V56	K53-E55 HydrophobicContact CB-CG 4.5Å; K53-E55 PolarHBondContact O-N 3.32Å; K53-V56 VanDerWaalsContact O-CG2 3.31Å; K53-V56 WeakPolarHBondContact O-CG2 3.36Å; K53-V56 PolarHBondContact O-N 2.87Å
54	N	98.5	Very high	98.1	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.112	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.3	-24.9	-172.1	-152.9	55	0	0	0	115.7	V56 L57 R91 P376 F379 L380	N54-V56 PolarHBondContact O-N 3.48Å; N54-V56 VanDerWaalsContact O-N 3.16Å; N54-L57 WeakPolarHBondContact O-CB 3.12Å; N54-L57 PolarHBondContact O-N 3.3Å; N54-L57 VanDerWaalsContact OD1-CD1 3.28Å; N54-L57 WeakPolarHBondContact OD1-CD1 3.37Å; N54-R91 PolarHBondContact OD1-NH1 3.45Å; N54-P376 PolarHBondContact ND2-O 2.88Å; N54-F379 WeakPolarHBondContact OD1-CB 3.43Å; N54-L380 HydrophobicContact CB-CD2 3.88Å; N54-L380 HydrophobicContact CB-CG 4.41Å; N54-L380 WeakPolarHBondContact ND2-CG 3.15Å
55	E	98.3	Very high	97.9	Very high	165 Å²	165	63.2 Å²	63.2	77%	0.771	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.4	176	67.1	-169.8	-160	0	0	114.9	K53 L57	K53-E55 HydrophobicContact CB-CG 4.5Å; K53-E55 PolarHBondContact O-N 3.32Å; E55-L57 VanDerWaalsContact C-N 3.26Å; E55-L57 PolarHBondContact O-N 2.89Å
56	V	98.7	Very high	97.8	Very high	13 Å²	13	64.6 Å²	64.6	8%	0.079	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-76.3	-13.4	177.4	-55.8	0	0	0	0	113.3	I48 K50 K53 N54 R58 R91	I48-V56 HydrophobicContact CB-CG2 4.06Å; I48-V56 HydrophobicContact CG2-CB 4.44Å; I48-V56 HydrophobicContact CG2-CG2 3.65Å; K50-V56 HydrophobicContact CG-CG1 3.98Å; K53-V56 VanDerWaalsContact O-CG2 3.31Å; K53-V56 WeakPolarHBondContact O-CG2 3.36Å; K53-V56 PolarHBondContact O-N 2.87Å; N54-V56 PolarHBondContact O-N 3.48Å; N54-V56 VanDerWaalsContact O-N 3.16Å; V56-R58 PolarHBondContact O-N 3.34Å; V56-R91 HydrophobicContact CG2-CG 3.68Å
57	L	98.8	Very high	97.6	Very high	16 Å²	16	68.7 Å²	68.7	8%	0.084	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.7	175.1	-73.8	170.4	0	0	0	109.8	W46 I48 N54 E55 L119 P376 F379	W46-L57 HydrophobicContact CE3-CB 4.03Å; W46-L57 HydrophobicContact CZ3-CB 4.2Å; I48-L57 HydrophobicContact CG2-CD2 3.86Å; I48-L57 HydrophobicContact CG2-CG 4.44Å; N54-L57 WeakPolarHBondContact O-CB 3.12Å; N54-L57 PolarHBondContact O-N 3.3Å; N54-L57 VanDerWaalsContact OD1-CD1 3.28Å; N54-L57 WeakPolarHBondContact OD1-CD1 3.37Å; E55-L57 VanDerWaalsContact C-N 3.26Å; E55-L57 PolarHBondContact O-N 2.89Å; L57-L119 HydrophobicContact CD2-CD1 4.42Å; L57-P376 HydrophobicContact CB-CG 4.5Å; L57-P376 HydrophobicContact CD1-CB 4.37Å; L57-P376 HydrophobicContact CD1-CG 4.46Å; L57-F379 HydrophobicContact CD1-CB 4.06Å; L57-F379 HydrophobicContact CD1-CD1 3.93Å; L57-F379 HydrophobicContact CD1-CD2 4.02Å; L57-F379 HydrophobicContact CD1-CE1 4.35Å; L57-F379 HydrophobicContact CD1-CE2 4.44Å; L57-F379 HydrophobicContact CD1-CG 3.73Å; L57-F379 HydrophobicContact CD2-CE1 4.38Å; L57-F379 HydrophobicContact CD2-CZ 4.32Å
58	R	98.7	Very high	97.5	Very high	96 Å²	96	70.6 Å²	70.6	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.5	-179.6	-177	176.7	60.5	78.7	-0.8	110.3	V47 D49 V56	V47-R58 PolarHBondContact N-O 3.25Å; V47-R58 PolarHBondContact O-N 3.44Å; D49-R58 IonicContact OD1-CZ 3.52Å; D49-R58 IonicContact OD1-NE 2.71Å; D49-R58 IonicContact OD1-NH2 3.92Å; D49-R58 PolarHBondContact OD1-NH2 3.27Å; D49-R58 IonicContact OD2-CZ 2.76Å; D49-R58 IonicContact OD2-NE 3.53Å; D49-R58 PolarHBondContact OD2-NE 3.21Å; D49-R58 IonicContact OD2-NH2 2.68Å; D49-R58 PolarHBondContact OD2-NH2 3.27Å; D49-R58 VanDerWaalsContact OD2-NH2 3.17Å; V56-R58 PolarHBondContact O-N 3.34Å
59	F	98.7	Very high	97.4	Very high	84 Å²	84	77.5 Å²	77.5	37%	0.368	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.6	167.7	-177.9	-109.1	0	0	0	110	P44 W46 Q61 F372	P44-F59 HydrophobicContact CB-CE2 3.91Å; P44-F59 HydrophobicContact CB-CZ 3.85Å; W46-F59 HydrophobicContact CD2-CB 4.04Å; W46-F59 HydrophobicContact CD2-CD2 4.32Å; W46-F59 AromaticContact CE2-CD2 3.86Å; W46-F59 HydrophobicContact CE3-CB 4.08Å; W46-F59 HydrophobicContact CG-CD2 4.43Å; W46-F59 HydrophobicContact CH2-CB 3.85Å; W46-F59 HydrophobicContact CZ2-CB 3.81Å; W46-F59 HydrophobicContact CZ2-CD2 4.33Å; W46-F59 HydrophobicContact CZ2-CG 4.37Å; W46-F59 HydrophobicContact CZ3-CB 3.98Å; W46-F59 AromaticContact NE1-CD2 3.66Å; F59-Q61 HydrophobicContact CE1-CG 3.7Å; F59-Q61 HydrophobicContact CZ-CG 4Å; F59-F372 HydrophobicContact CD2-CE1 4.41Å; F59-F372 HydrophobicContact CE2-CD1 4.08Å; F59-F372 AromaticContact CE2-CE1 3.77Å; F59-F372 HydrophobicContact CE2-CE1 3.77Å
60	T	98.1	Very high	97.4	Very high	18 Å²	18	81.2 Å²	81.2	11%	0.11	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.3	173.5	-176.1	0	0	0	0	109.4	P44 A45 V47 N62 M63	P44-T60 CarbonylContact C-O 3.49Å; P44-T60 WeakPolarHBondContact CA-O 3.5Å; A45-T60 HydrophobicContact CB-CG2 4.28Å; A45-T60 PolarHBondContact N-O 3.12Å; A45-T60 PolarHBondContact O-N 2.83Å; V47-T60 HydrophobicContact CG1-CG2 4.34Å; V47-T60 HydrophobicContact CG2-CG2 4.22Å; T60-N62 PolarHBondContact OG1-N 3.18Å; T60-N62 VanDerWaalsContact OG1-N 3.12Å; T60-M63 HydrophobicContact CG2-CB 4Å
61	Q	96.5	Very high	97.4	Very high	132 Å²	132	77.5 Å²	77.5	62%	0.617	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	-3.7	168	-67.8	-177.4	-34.6	0	0	112.4	M43 F59	M43-Q61 CarbonylContact C-O 3.51Å; M43-Q61 CarbonylContact O-C 3.35Å; F59-Q61 HydrophobicContact CE1-CG 3.7Å; F59-Q61 HydrophobicContact CZ-CG 4Å
62	N	96.6	Very high	97.4	Very high	113 Å²	113	77.5 Å²	77.5	60%	0.604	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	21.9	-167.2	-58.1	-12.6	0	0	0	112.3	T60	T60-N62 PolarHBondContact OG1-N 3.18Å; T60-N62 VanDerWaalsContact OG1-N 3.12Å
63	M	96.7	Very high	97.4	Very high	37 Å²	37	77.1 Å²	77.1	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133	175.5	-166.3	62	-149.4	0	0	108.7	I42 M43 A45 V47 T60 I65 P116	I42-M63 CarbonylContact C-O 3.38Å; I42-M63 WeakPolarHBondContact CA-O 3.27Å; M43-M63 HydrophobicContact CE-CB 4.41Å; M43-M63 HydrophobicContact CE-CG 4.01Å; M43-M63 HydrophobicContact CG-CB 4.17Å; M43-M63 WeakPolarHBondContact CG-O 3.49Å; M43-M63 PolarHBondContact N-O 3.2Å; M43-M63 WeakPolarHBondContact O-CB 3.21Å; M43-M63 PolarHBondContact O-N 3.02Å; M43-M63 VanDerWaalsContact O-N 3.09Å; A45-M63 HydrophobicContact CB-CB 3.89Å; A45-M63 HydrophobicContact CB-CG 4.17Å; V47-M63 HydrophobicContact CG1-SD 4.34Å; T60-M63 HydrophobicContact CG2-CB 4Å; M63-I65 PolarHBondContact O-N 3Å; M63-P116 HydrophobicContact CE-CG 4.08Å; M63-P116 HydrophobicContact SD-CG 3.96Å
64	M	95.9	Very high	97.4	Very high	111 Å²	111	69.8 Å²	69.8	55%	0.547	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.5	177.7	-67.1	-60.8	-60.2	0	0	110.6	T41 I42	T41-M64 WeakPolarHBondContact O-CA 3.28Å; I42-M64 HydrophobicContact CG2-SD 4.21Å
65	I	94.6	Very high	97.4	Very high	46 Å²	46	69.2 Å²	69.2	24%	0.236	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-57.9	132.7	169.3	-68.6	-169.4	0	0	0	107.9	S40 T41 M43 M63 F158	S40-I65 WeakPolarHBondContact O-CD1 3.41Å; T41-I65 PolarHBondContact O-N 3.5Å; M43-I65 HydrophobicContact CB-CG1 4.04Å; M43-I65 HydrophobicContact CG-CG1 4.32Å; M63-I65 PolarHBondContact O-N 3Å; I65-F158 HydrophobicContact CD1-CD2 4.41Å; I65-F158 HydrophobicContact CD1-CE2 4.2Å; I65-F158 HydrophobicContact CG1-CD2 4.44Å
66	P	94.8	Very high	97.5	Very high	30 Å²	30	61.4 Å²	61.4	20%	0.195	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.5	146	-177.9	32.2	-38.3	0	0	0	110.3	I75 F158 V160	P66-I75 WeakPolarHBondContact O-CD1 3.36Å; P66-F158 HydrophobicContact CG-CB 3.97Å; P66-V160 HydrophobicContact CB-CB 4.34Å; P66-V160 HydrophobicContact CB-CG2 3.6Å; P66-V160 HydrophobicContact CG-CG2 3.97Å
67	I	95.3	Very high	97.5	Very high	110 Å²	110	63 Å²	63	56%	0.564	30%	0.304	S	S	*	.			trans	-110.5	143.6	-175.6	-54.7	170	0	0	0	108.1	H69	I67-H69 PolarHBondContact O-CD2 3.39Å; I67-H69 VanDerWaalsContact O-CD2 3.27Å; I67-H69 PolarHBondContact O-N 3.05Å
68	I	97.2	Very high	97.5	Very high	41 Å²	41	62.2 Å²	62.2	21%	0.21	30%	0.3	C	S	.	.			trans	-70.7	109.8	168.7	-71.5	167.2	0	0	0	107.9	Y70 E73 I75 E129	I68-Y70 VanDerWaalsContact CG2-O 3.22Å; I68-Y70 WeakPolarHBondContact CG2-O 3.46Å; I68-E73 HydrophobicContact CG1-CB 4.36Å; I68-E73 HydrophobicContact CG2-CB 4.26Å; I68-I75 HydrophobicContact CD1-CD1 4.08Å; I68-I75 HydrophobicContact CD1-CG1 4.11Å; I68-I75 HydrophobicContact CG1-CD1 3.9Å; I68-I75 HydrophobicContact CG1-CG1 3.84Å; I68-E129 HydrophobicContact CD1-CB 4.16Å; I68-E129 HydrophobicContact CD1-CG 3.86Å
69	H	96.8	Very high	97.5	Very high	145 Å²	145	60.1 Å²	60.1	67%	0.671	29%	0.294	S	S	*	.			trans	-91.9	-31.2	175.9	-72.4	-75.6	0	0	0	111.4	I67 E73	I67-H69 PolarHBondContact O-CD2 3.39Å; I67-H69 VanDerWaalsContact O-CD2 3.27Å; I67-H69 PolarHBondContact O-N 3.05Å; H69-E73 PolarHBondContact N-OE2 3.1Å
70	Y	98.1	Very high	97.5	Very high	150 Å²	150	56.1 Å²	56.1	59%	0.588	28%	0.277	S	S	*	.	S	Bend	trans	-120.5	143.4	-178.8	-58.5	-75.6	0	0	0	111.4	I68 N72 E73	I68-Y70 VanDerWaalsContact CG2-O 3.22Å; I68-Y70 WeakPolarHBondContact CG2-O 3.46Å; Y70-N72 VanDerWaalsContact CB-OD1 3.25Å; Y70-N72 WeakPolarHBondContact CB-OD1 2.98Å; Y70-N72 PolarHBondContact O-N 3.42Å; Y70-E73 PolarHBondContact N-OE2 2.85Å; Y70-E73 WeakPolarHBondContact O-CB 3.38Å; Y70-E73 PolarHBondContact O-N 2.91Å
71	P	98.3	Very high	97.5	Very high	57 Å²	57	55.3 Å²	55.3	37%	0.37	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.5	-173.1	29.6	-37.9	0	0	0	113.8	G131 L132 D133	P71-G131 CarbonylContact O-C 2.97Å; P71-G131 WeakPolarHBondContact O-CA 3.37Å; P71-L132 PolarHBondContact O-N 3.24Å; P71-D133 HydrophobicContact CB-CB 4.05Å; P71-D133 WeakPolarHBondContact CB-OD2 3.42Å; P71-D133 HydrophobicContact CG-CB 4.45Å; P71-D133 WeakPolarHBondContact CG-OD2 3.3Å; P71-D133 WeakPolarHBondContact O-CB 3.48Å; P71-D133 PolarHBondContact O-N 2.81Å
72	N	98.5	Very high	97.6	Very high	64 Å²	64	49 Å²	49	34%	0.342	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.9	176.5	72.4	-44.6	0	0	0	113.7	Y70 G163	Y70-N72 VanDerWaalsContact CB-OD1 3.25Å; Y70-N72 WeakPolarHBondContact CB-OD1 2.98Å; Y70-N72 PolarHBondContact O-N 3.42Å; N72-G163 PolarHBondContact O-N 3.26Å
73	E	98.7	Very high	97.8	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	155.8	-178.3	-70.1	177.9	144.2	0	0	113.2	I68 H69 Y70 G131 V160 V161	I68-E73 HydrophobicContact CG1-CB 4.36Å; I68-E73 HydrophobicContact CG2-CB 4.26Å; H69-E73 PolarHBondContact N-OE2 3.1Å; Y70-E73 PolarHBondContact N-OE2 2.85Å; Y70-E73 WeakPolarHBondContact O-CB 3.38Å; Y70-E73 PolarHBondContact O-N 2.91Å; E73-G131 PolarHBondContact O-N 2.91Å; E73-V160 HydrophobicContact CB-CG1 3.9Å; E73-V160 HydrophobicContact CG-CG1 3.95Å; E73-V161 CarbonylContact C-O 3.57Å; E73-V161 WeakPolarHBondContact CA-O 3.14Å
74	V	98.6	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.4	179.7	-176.7	0	0	0	0	108.5	V76 V127 E129 V134 V160 V161	V74-V76 HydrophobicContact CG1-CG2 4.15Å; V74-V127 HydrophobicContact CG1-CB 4.29Å; V74-V127 HydrophobicContact CG1-CG1 3.57Å; V74-V127 HydrophobicContact CG1-CG2 3.9Å; V74-E129 WeakPolarHBondContact CA-O 3.42Å; V74-V134 HydrophobicContact CG2-CB 4.45Å; V74-V134 HydrophobicContact CG2-CG1 3.87Å; V74-V134 HydrophobicContact CG2-CG2 3.8Å; V74-V160 WeakPolarHBondContact O-CA 3.29Å; V74-V161 HydrophobicContact CB-CG2 4.26Å; V74-V161 PolarHBondContact N-O 3.47Å; V74-V161 PolarHBondContact O-N 3.31Å
75	I	98.7	Very high	98	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.9	169.6	-63.1	171	0	0	0	108.1	P66 I68 M128 E129 F158 V160	P66-I75 WeakPolarHBondContact O-CD1 3.36Å; I68-I75 HydrophobicContact CD1-CD1 4.08Å; I68-I75 HydrophobicContact CD1-CG1 4.11Å; I68-I75 HydrophobicContact CG1-CD1 3.9Å; I68-I75 HydrophobicContact CG1-CG1 3.84Å; I75-M128 HydrophobicContact CB-CB 4.48Å; I75-M128 HydrophobicContact CG2-CB 4.16Å; I75-M128 PolarHBondContact O-N 2.96Å; I75-E129 HydrophobicContact CB-CB 4.37Å; I75-E129 HydrophobicContact CD1-CB 4.29Å; I75-E129 PolarHBondContact N-O 2.9Å; I75-F158 HydrophobicContact CG2-CB 4.21Å; I75-F158 HydrophobicContact CG2-CD1 4.22Å; I75-V160 HydrophobicContact CG1-CG2 3.64Å
76	V	98.8	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129	177.9	-178.9	0	0	0	0	109.1	V74 V78 V123 V126 V143 F158 V159 V161	V74-V76 HydrophobicContact CG1-CG2 4.15Å; V76-V78 PolarHBondContact O-N 2.83Å; V76-V123 HydrophobicContact CG1-CG2 3.89Å; V76-V126 CarbonylContact C-O 3.5Å; V76-V126 WeakPolarHBondContact CA-O 3.43Å; V76-V143 HydrophobicContact CG1-CG2 3.81Å; V76-V143 HydrophobicContact CG2-CG2 3.82Å; V76-F158 VanDerWaalsContact O-CA 3.28Å; V76-F158 WeakPolarHBondContact O-CA 3.25Å; V76-V159 HydrophobicContact CB-CG1 4.13Å; V76-V159 PolarHBondContact N-O 2.99Å; V76-V159 PolarHBondContact O-N 2.9Å; V76-V161 HydrophobicContact CG2-CG2 4.03Å
77	K	98.8	Very high	98.3	Very high	45 Å²	45	38.3 Å²	38.3	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.3	164.8	-175.3	176.6	-175.6	69.1	0	108.3	H79 G125 V126 M128 E157 F158	K77-H79 PolarHBondContact O-N 3.48Å; K77-G125 WeakPolarHBondContact O-CA 3.4Å; K77-V126 PolarHBondContact N-O 3.17Å; K77-V126 PolarHBondContact O-N 2.92Å; K77-M128 HydrophobicContact CB-CG 3.67Å; K77-M128 HydrophobicContact CB-SD 3.7Å; K77-M128 HydrophobicContact CD-SD 4.28Å; K77-E157 IonicContact NZ-OE1 3.54Å; K77-E157 PolarHBondContact NZ-OE1 3.36Å; K77-F158 HydrophobicContact CB-CD1 3.9Å; K77-F158 HydrophobicContact CB-CE1 3.73Å; K77-F158 HydrophobicContact CD-CE1 4.22Å; K77-F158 HydrophobicContact CG-CD1 4.23Å; K77-F158 HydrophobicContact CG-CE1 3.8Å; K77-F158 HydrophobicContact CG-CZ 4.45Å
78	V	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.6	-176.3	-175.9	0	0	0	0	109	V76 A81 V123 S156 E157 V159 V395 V396	V76-V78 PolarHBondContact O-N 2.83Å; V78-A81 HydrophobicContact CG1-CB 4.41Å; V78-V123 HydrophobicContact CB-CG2 4.33Å; V78-V123 HydrophobicContact CG1-CG2 4.11Å; V78-V123 HydrophobicContact CG2-CG2 3.95Å; V78-S156 VanDerWaalsContact CB-O 3.31Å; V78-S156 WeakPolarHBondContact CB-O 3.47Å; V78-S156 VanDerWaalsContact CG2-O 3.3Å; V78-S156 WeakPolarHBondContact CG2-O 3.45Å; V78-E157 PolarHBondContact N-O 2.81Å; V78-V159 HydrophobicContact CG2-CB 4.19Å; V78-V159 HydrophobicContact CG2-CG1 3.78Å; V78-V395 HydrophobicContact CB-CB 4.48Å; V78-V395 HydrophobicContact CB-CG1 4.32Å; V78-V395 HydrophobicContact CG1-CB 4.06Å; V78-V395 HydrophobicContact CG1-CG1 4.35Å; V78-V395 HydrophobicContact CG1-CG2 3.67Å; V78-V396 VanDerWaalsContact O-CG2 3.29Å; V78-V396 WeakPolarHBondContact O-CG2 3.32Å
79	H	98.9	Very high	98.6	Very high	53 Å²	53	35.1 Å²	35.1	25%	0.245	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-41.6	170.5	-80.2	-122.7	0	0	0	110.8	K77 S124 H175 V395 V396	K77-H79 PolarHBondContact O-N 3.48Å; H79-S124 PolarHBondContact N-O 3.43Å; H79-H175 HydrophobicContact CB-CB 3.66Å; H79-H175 AromaticContact CG-CD2 3.62Å; H79-H175 AromaticContact CG-NE2 3.93Å; H79-H175 AromaticContact ND1-CD2 3.45Å; H79-H175 PolarHBondContact ND1-CD2 2.91Å; H79-H175 AromaticContact ND1-NE2 3.84Å; H79-V395 PolarHBondContact O-N 2.89Å; H79-V396 PolarHBondContact O-N 3.12Å
80	A	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.9	174.9	0	0	0	0	0	111.8	S124 H175 A179 V392 I393	A80-S124 PolarHBondContact N-O 3.32Å; A80-S124 PolarHBondContact O-N 2.82Å; A80-H175 HydrophobicContact CB-CB 4.41Å; A80-A179 HydrophobicContact CB-CB 3.6Å; A80-A179 WeakPolarHBondContact O-CB 3.32Å; A80-V392 HydrophobicContact CB-CG1 4.3Å; A80-I393 CarbonylContact C-O 3.59Å; A80-I393 VanDerWaalsContact CA-O 3.23Å; A80-I393 WeakPolarHBondContact CA-O 3.12Å; A80-I393 WeakPolarHBondContact CB-O 3.38Å
81	A	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	172.7	175.4	0	0	0	0	0	110	V78 D122 L155 V392 I393 V395	V78-A81 HydrophobicContact CG1-CB 4.41Å; A81-D122 VanDerWaalsContact CA-O 3.29Å; A81-D122 WeakPolarHBondContact CA-O 3.28Å; A81-D122 VanDerWaalsContact CB-O 3.27Å; A81-D122 WeakPolarHBondContact CB-O 3.39Å; A81-L155 HydrophobicContact CB-CD2 4.15Å; A81-V392 CarbonylContact O-C 3.44Å; A81-V392 WeakPolarHBondContact O-CA 3.13Å; A81-V392 VanDerWaalsContact O-CG1 3.3Å; A81-V392 WeakPolarHBondContact O-CG1 3.08Å; A81-I393 PolarHBondContact N-O 2.74Å; A81-I393 PolarHBondContact O-N 3.34Å; A81-V395 HydrophobicContact CB-CG2 4.42Å
82	S	98.8	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.3	172.8	108.4	0	0	0	0	111.9	N84 D122 A179 K390 T391	S82-N84 PolarHBondContact OG-ND2 3.31Å; S82-D122 WeakPolarHBondContact CB-OD2 3.41Å; S82-D122 PolarHBondContact OG-OD2 3.26Å; S82-A179 WeakPolarHBondContact CB-O 3.21Å; S82-K390 VanDerWaalsContact OG-CE 3.31Å; S82-K390 WeakPolarHBondContact OG-CE 3.3Å; S82-K390 PolarHBondContact OG-NZ 3.17Å; S82-T391 WeakPolarHBondContact CA-O 3.31Å; S82-T391 WeakPolarHBondContact CB-O 3.41Å
83	V	98.9	Very high	98.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.024	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.1	173	-173.2	0	0	0	0	108.7	D87 A378 F379 V382 K390 T391 I393	V83-D87 HydrophobicContact CG1-CB 4.45Å; V83-A378 HydrophobicContact CG2-CB 4Å; V83-F379 HydrophobicContact CG1-CD2 3.98Å; V83-F379 HydrophobicContact CG1-CE2 4.08Å; V83-F379 HydrophobicContact CG1-CG 4.33Å; V83-F379 HydrophobicContact CG2-CD2 4.14Å; V83-F379 HydrophobicContact CG2-CE2 4.13Å; V83-V382 HydrophobicContact CB-CG2 3.91Å; V83-V382 HydrophobicContact CG1-CB 4.05Å; V83-V382 HydrophobicContact CG1-CG1 4.36Å; V83-V382 HydrophobicContact CG1-CG2 3.71Å; V83-K390 PolarHBondContact O-NZ 3.06Å; V83-T391 PolarHBondContact N-O 3.08Å; V83-I393 HydrophobicContact CG2-CD1 3.88Å; V83-I393 HydrophobicContact CG2-CG1 3.92Å
84	N	98.6	Very high	98.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	12%	0.121	C	C	.	.			trans	-112.8	156.9	176.3	-68.9	-78.9	0	0	0	110.7	S82 I86 D87 D122 Y183 K390	S82-N84 PolarHBondContact OG-ND2 3.31Å; N84-I86 HydrophobicContact CB-CG2 3.78Å; N84-I86 PolarHBondContact O-N 2.81Å; N84-I86 VanDerWaalsContact O-N 3.13Å; N84-D87 WeakPolarHBondContact CB-OD2 3.33Å; N84-D87 PolarHBondContact N-OD2 2.9Å; N84-D87 WeakPolarHBondContact O-CB 3.3Å; N84-D87 PolarHBondContact O-N 3.23Å; N84-D122 PolarHBondContact ND2-OD2 3.08Å; N84-Y183 HydrophobicContact CB-CD1 4.39Å; N84-K390 PolarHBondContact OD1-NZ 3.17Å
85	P	98.4	Very high	98.5	Very high	85 Å²	85	21.7 Å²	21.7	55%	0.552	12%	0.121	S	C	*	.	H	α-helix	trans	-54	-32.6	172.8	-27.5	35.9	0	0	0	113.3	D87 V88 N89 V382	P85-D87 VanDerWaalsContact C-N 3.26Å; P85-D87 PolarHBondContact O-N 2.8Å; P85-V88 PolarHBondContact O-N 3.08Å; P85-N89 WeakPolarHBondContact O-CB 3.4Å; P85-N89 PolarHBondContact O-N 3.06Å; P85-N89 PolarHBondContact O-ND2 3.08Å; P85-V382 HydrophobicContact CG-CG1 4.49Å
86	I	98.4	Very high	98.4	Very high	22 Å²	22	21.9 Å²	21.9	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-30.8	175.9	-168.4	59.9	0	0	0	112.5	N84 N89 M90 Y94 R121 Y183	N84-I86 HydrophobicContact CB-CG2 3.78Å; N84-I86 PolarHBondContact O-N 2.81Å; N84-I86 VanDerWaalsContact O-N 3.13Å; I86-N89 PolarHBondContact O-N 3.34Å; I86-M90 HydrophobicContact CD1-CG 4.11Å; I86-M90 HydrophobicContact CD1-SD 4.41Å; I86-M90 HydrophobicContact CG1-CG 4.08Å; I86-M90 HydrophobicContact CG1-SD 3.82Å; I86-M90 VanDerWaalsContact O-CB 3.23Å; I86-M90 WeakPolarHBondContact O-CB 3.31Å; I86-M90 WeakPolarHBondContact O-CG 3.46Å; I86-M90 PolarHBondContact O-N 3.18Å; I86-Y94 HydrophobicContact CD1-CD1 3.77Å; I86-Y94 HydrophobicContact CD1-CE1 3.69Å; I86-R121 HydrophobicContact CG2-CG 3.81Å; I86-Y183 HydrophobicContact CG2-CE1 3.92Å; I86-Y183 HydrophobicContact CG2-CE2 4.47Å
87	D	98.8	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68	-44.5	177.7	-61.1	-58.7	0	0	0	111.2	V83 N84 P85 M90 R91 G120 R121 F379	V83-D87 HydrophobicContact CG1-CB 4.45Å; N84-D87 WeakPolarHBondContact CB-OD2 3.33Å; N84-D87 PolarHBondContact N-OD2 2.9Å; N84-D87 WeakPolarHBondContact O-CB 3.3Å; N84-D87 PolarHBondContact O-N 3.23Å; P85-D87 VanDerWaalsContact C-N 3.26Å; P85-D87 PolarHBondContact O-N 2.8Å; D87-M90 PolarHBondContact O-N 3.3Å; D87-R91 WeakPolarHBondContact O-CB 3.35Å; D87-R91 PolarHBondContact O-N 2.85Å; D87-G120 WeakPolarHBondContact OD1-CA 3.32Å; D87-G120 PolarHBondContact OD1-N 3.08Å; D87-R121 IonicContact OD1-CZ 2.74Å; D87-R121 IonicContact OD1-NE 2.67Å; D87-R121 IonicContact OD1-NH1 2.68Å; D87-R121 PolarHBondContact OD1-NH1 3.2Å; D87-F379 HydrophobicContact CB-CE1 3.92Å; D87-F379 HydrophobicContact CB-CZ 3.83Å
88	V	98.8	Very high	98	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-41.9	176	179.4	0	0	0	0	111	P85 R91 S92 F379 V382 E383	P85-V88 PolarHBondContact O-N 3.08Å; V88-R91 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.89Å; V88-S92 PolarHBondContact O-OG 3.49Å; V88-F379 HydrophobicContact CG2-CD1 3.97Å; V88-V382 HydrophobicContact CG2-CB 4.24Å; V88-V382 HydrophobicContact CG2-CG1 3.99Å; V88-E383 HydrophobicContact CG1-CB 3.91Å; V88-E383 HydrophobicContact CG1-CG 3.86Å; V88-E383 HydrophobicContact CG2-CB 4.49Å
89	N	98.4	Very high	97.9	Very high	75 Å²	75	25.5 Å²	25.5	40%	0.401	14%	0.143	S	C	.	.	H	α-helix	trans	-66.1	-48.1	177.9	-68.2	-17.1	0	0	0	111.1	P85 I86 R91 S92 G93 Y94	P85-N89 WeakPolarHBondContact O-CB 3.4Å; P85-N89 PolarHBondContact O-N 3.06Å; P85-N89 PolarHBondContact O-ND2 3.08Å; I86-N89 PolarHBondContact O-N 3.34Å; N89-R91 PolarHBondContact O-N 3.49Å; N89-S92 CarbonylContact O-C 3.57Å; N89-S92 WeakPolarHBondContact O-CA 3.45Å; N89-S92 WeakPolarHBondContact O-CB 3.33Å; N89-S92 PolarHBondContact O-N 3.08Å; N89-G93 PolarHBondContact O-N 3.21Å; N89-Y94 HydrophobicContact CB-CD1 3.8Å; N89-Y94 HydrophobicContact CB-CG 3.94Å; N89-Y94 WeakPolarHBondContact O-CB 3.4Å; N89-Y94 PolarHBondContact O-N 2.94Å
90	M	98.6	Very high	97.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-39.8	177.8	-76.8	173.7	63.2	0	0	112.1	Y51 I86 D87 S92 G93 L99 L119 P149	Y51-M90 VanDerWaalsContact CD1-O 3.27Å; Y51-M90 WeakPolarHBondContact CD1-O 3.42Å; I86-M90 HydrophobicContact CD1-CG 4.11Å; I86-M90 HydrophobicContact CD1-SD 4.41Å; I86-M90 HydrophobicContact CG1-CG 4.08Å; I86-M90 HydrophobicContact CG1-SD 3.82Å; I86-M90 VanDerWaalsContact O-CB 3.23Å; I86-M90 WeakPolarHBondContact O-CB 3.31Å; I86-M90 WeakPolarHBondContact O-CG 3.46Å; I86-M90 PolarHBondContact O-N 3.18Å; D87-M90 PolarHBondContact O-N 3.3Å; M90-S92 PolarHBondContact O-N 2.89Å; M90-S92 VanDerWaalsContact O-N 3.15Å; M90-G93 PolarHBondContact O-N 3.1Å; M90-L99 HydrophobicContact CE-CD1 3.96Å; M90-L99 HydrophobicContact CG-CD1 4.23Å; M90-L99 HydrophobicContact SD-CD1 4.23Å; M90-L119 HydrophobicContact CB-CD2 4.07Å; M90-L119 HydrophobicContact CE-CD2 4.14Å; M90-P149 HydrophobicContact CE-CB 4.32Å; M90-P149 WeakPolarHBondContact CE-O 3.11Å; M90-P149 HydrophobicContact SD-CB 3.94Å
91	R	98.7	Very high	97.5	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-51.5	-37.2	171.5	-173.6	-158.3	68.4	-155.2	-8.6	111.2	I48 Y51 G52 N54 V56 D87 V88 N89 G93 L119 F379 E383	I48-R91 HydrophobicContact CG2-CG 4.22Å; Y51-R91 CarbonylContact C-O 3.52Å; Y51-R91 VanDerWaalsContact CA-O 3.27Å; Y51-R91 WeakPolarHBondContact CA-O 3.5Å; G52-R91 PolarHBondContact N-O 3.14Å; G52-R91 CarbonylContact O-C 3.57Å; G52-R91 PolarHBondContact O-NE 2.94Å; G52-R91 VanDerWaalsContact O-NE 3.14Å; N54-R91 PolarHBondContact OD1-NH1 3.45Å; V56-R91 HydrophobicContact CG2-CG 3.68Å; D87-R91 WeakPolarHBondContact O-CB 3.35Å; D87-R91 PolarHBondContact O-N 2.85Å; V88-R91 WeakPolarHBondContact O-CB 3.44Å; N89-R91 PolarHBondContact O-N 3.49Å; R91-G93 VanDerWaalsContact C-N 3.34Å; R91-L119 HydrophobicContact CB-CD1 3.75Å; R91-L119 HydrophobicContact CG-CD1 4.27Å; R91-F379 HydrophobicContact CB-CE1 4.44Å; R91-E383 IonicContact CZ-OE1 3.25Å; R91-E383 IonicContact CZ-OE2 3.02Å; R91-E383 IonicContact NH1-OE1 2.78Å; R91-E383 IonicContact NH1-OE2 2.78Å; R91-E383 PolarHBondContact NH1-OE2 3.47Å; R91-E383 VanDerWaalsContact NH2-CD 3.35Å; R91-E383 IonicContact NH2-OE1 3.17Å; R91-E383 PolarHBondContact NH2-OE1 3.25Å; R91-E383 IonicContact NH2-OE2 3.77Å; R91-E383 PolarHBondContact NH2-OE2 3.32Å
92	S	98.1	Very high	97.2	Very high	63 Å²	63	36.2 Å²	36.2	44%	0.441	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.3	-177.8	-47.2	0	0	0	0	113.6	V88 N89 M90	V88-S92 PolarHBondContact O-N 2.89Å; V88-S92 PolarHBondContact O-OG 3.49Å; N89-S92 CarbonylContact O-C 3.57Å; N89-S92 WeakPolarHBondContact O-CA 3.45Å; N89-S92 WeakPolarHBondContact O-CB 3.33Å; N89-S92 PolarHBondContact O-N 3.08Å; M90-S92 PolarHBondContact O-N 2.89Å; M90-S92 VanDerWaalsContact O-N 3.15Å
93	G	97.8	Very high	97	Very high	18 Å²	18	38 Å²	38	19%	0.186	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	5.4	176.7	0	0	0	0	0	115.6	Y51 N89 M90 R91 G95 A96	Y51-G93 VanDerWaalsContact CG-CA 3.49Å; N89-G93 PolarHBondContact O-N 3.21Å; M90-G93 PolarHBondContact O-N 3.1Å; R91-G93 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 2.72Å; G93-A96 VanDerWaalsContact O-CB 3.27Å; G93-A96 WeakPolarHBondContact O-CB 3.48Å; G93-A96 PolarHBondContact O-N 3.13Å
94	Y	98.1	Very high	96.7	Very high	64 Å²	64	38.8 Å²	38.8	25%	0.251	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131	177.4	175.3	-102.9	0	0	0	112.1	I86 N89 A96 L305 L306	I86-Y94 HydrophobicContact CD1-CD1 3.77Å; I86-Y94 HydrophobicContact CD1-CE1 3.69Å; N89-Y94 HydrophobicContact CB-CD1 3.8Å; N89-Y94 HydrophobicContact CB-CG 3.94Å; N89-Y94 WeakPolarHBondContact O-CB 3.4Å; N89-Y94 PolarHBondContact O-N 2.94Å; Y94-A96 PolarHBondContact O-N 3.13Å; Y94-L305 HydrophobicContact CD1-CD1 4.26Å; Y94-L305 HydrophobicContact CE1-CB 4.03Å; Y94-L305 HydrophobicContact CE1-CD1 3.49Å; Y94-L305 VanDerWaalsContact CE1-CD1 3.49Å; Y94-L305 HydrophobicContact CE1-CG 4.39Å; Y94-L305 HydrophobicContact CE2-CB 4Å; Y94-L306 HydrophobicContact CE2-CB 4.26Å
95	G	97.1	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	5.1	-178.7	0	0	0	0	0	114.2	G93 K97 A98 L99 D309	G93-G95 PolarHBondContact O-N 2.72Å; G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.86Å; G95-A98 PolarHBondContact O-N 3.25Å; G95-A98 VanDerWaalsContact O-N 3.13Å; G95-L99 WeakPolarHBondContact O-CB 3.25Å; G95-L99 VanDerWaalsContact O-CG 3.26Å; G95-L99 WeakPolarHBondContact O-CG 3Å; G95-L99 PolarHBondContact O-N 3.37Å; G95-D309 WeakPolarHBondContact CA-OD1 3.43Å; G95-D309 WeakPolarHBondContact CA-OD2 3.27Å; G95-D309 PolarHBondContact N-OD1 3.18Å; G95-D309 PolarHBondContact N-OD2 3.21Å
96	A	96.2	Very high	95.6	Very high	15 Å²	15	46.2 Å²	46.2	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-55	-41.3	-172.3	0	0	0	0	0	112.5	Y51 G93 Y94 N100 D309	Y51-A96 HydrophobicContact CE2-CB 3.75Å; G93-A96 VanDerWaalsContact O-CB 3.27Å; G93-A96 WeakPolarHBondContact O-CB 3.48Å; G93-A96 PolarHBondContact O-N 3.13Å; Y94-A96 PolarHBondContact O-N 3.13Å; A96-N100 WeakPolarHBondContact O-CB 3.34Å; A96-N100 PolarHBondContact O-N 3.02Å; A96-N100 PolarHBondContact O-ND2 3.26Å; A96-D309 PolarHBondContact N-OD1 2.68Å
97	K	93.9	Very high	94.9	Very high	97 Å²	97	52.7 Å²	52.7	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-47.3	179	-73.1	-175.8	-179.4	167.9	0	112.2	G95 M101 M308 D309	G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.86Å; K97-M101 PolarHBondContact O-N 2.9Å; K97-M308 VanDerWaalsContact CD-O 3.26Å; K97-M308 WeakPolarHBondContact CD-O 3.44Å; K97-D309 WeakPolarHBondContact CE-O 3.15Å; K97-D309 PolarHBondContact NZ-O 2.97Å
98	A	95.2	Very high	94	Very high	12 Å²	12	59.8 Å²	59.8	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-70.2	-40.5	-179.2	0	0	0	0	0	112.3	G95 M101 K102 L305 M308	G95-A98 PolarHBondContact O-N 3.25Å; G95-A98 VanDerWaalsContact O-N 3.13Å; A98-M101 WeakPolarHBondContact O-CB 3.4Å; A98-M101 PolarHBondContact O-N 3.45Å; A98-K102 PolarHBondContact O-N 3.05Å; A98-L305 HydrophobicContact CB-CD2 3.67Å; A98-M308 HydrophobicContact CB-CB 4.44Å; A98-M308 HydrophobicContact CB-CE 3.44Å; A98-M308 VanDerWaalsContact CB-CE 3.44Å; A98-M308 HydrophobicContact CB-SD 3.63Å
99	L	96.5	Very high	93.2	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-71.4	-36.6	-179.6	-64.6	178	0	0	0	111.8	M90 G95 M101 K102 R103 P149 W150	M90-L99 HydrophobicContact CE-CD1 3.96Å; M90-L99 HydrophobicContact CG-CD1 4.23Å; M90-L99 HydrophobicContact SD-CD1 4.23Å; G95-L99 WeakPolarHBondContact O-CB 3.25Å; G95-L99 VanDerWaalsContact O-CG 3.26Å; G95-L99 WeakPolarHBondContact O-CG 3Å; G95-L99 PolarHBondContact O-N 3.37Å; L99-M101 VanDerWaalsContact C-N 3.35Å; L99-K102 WeakPolarHBondContact O-CB 3.15Å; L99-K102 PolarHBondContact O-N 3.42Å; L99-K102 VanDerWaalsContact O-N 3.1Å; L99-R103 WeakPolarHBondContact O-CG 3.43Å; L99-R103 PolarHBondContact O-N 2.87Å; L99-P149 HydrophobicContact CD1-CB 4.18Å; L99-P149 HydrophobicContact CD2-CB 3.86Å; L99-W150 HydrophobicContact CD2-CB 4.27Å
100	N	94.9	Very high	92.5	Very high	46 Å²	46	67.1 Å²	67.1	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-37	174.2	-74	-14.1	0	0	0	111.9	A96 K102 R103 D104 E114	A96-N100 WeakPolarHBondContact O-CB 3.34Å; A96-N100 PolarHBondContact O-N 3.02Å; A96-N100 PolarHBondContact O-ND2 3.26Å; N100-K102 PolarHBondContact O-N 3.42Å; N100-R103 PolarHBondContact O-N 3.42Å; N100-R103 VanDerWaalsContact O-N 3.16Å; N100-R103 PolarHBondContact OD1-NH1 3.19Å; N100-D104 PolarHBondContact O-N 3.02Å; N100-E114 PolarHBondContact ND2-OE1 3.35Å; N100-E114 PolarHBondContact OD1-OE1 2.59Å
101	M	93.6	Very high	91.8	Very high	100 Å²	100	76.8 Å²	76.8	49%	0.493	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-34.9	170.2	-172.5	-167.3	-177.4	0	0	112.3	K97 A98 L99 D104 P105 V313	K97-M101 PolarHBondContact O-N 2.9Å; A98-M101 WeakPolarHBondContact O-CB 3.4Å; A98-M101 PolarHBondContact O-N 3.45Å; L99-M101 VanDerWaalsContact C-N 3.35Å; M101-D104 CarbonylContact O-C 3.38Å; M101-P105 WeakPolarHBondContact O-CA 3.38Å; M101-V313 HydrophobicContact SD-CG1 3.7Å
102	K	93.5	Very high	91.2	Very high	132 Å²	132	78.1 Å²	78.1	57%	0.574	40%	0.398	S	S	*	.	H	α-helix	trans	-74.5	-33.5	174.6	-72.2	-65.9	-173.7	-178.2	0	113.3	A98 L99 N100 D104 W150	A98-K102 PolarHBondContact O-N 3.05Å; L99-K102 WeakPolarHBondContact O-CB 3.15Å; L99-K102 PolarHBondContact O-N 3.42Å; L99-K102 VanDerWaalsContact O-N 3.1Å; N100-K102 PolarHBondContact O-N 3.42Å; K102-D104 VanDerWaalsContact C-N 3.31Å; K102-W150 HydrophobicContact CB-CB 3.76Å; K102-W150 HydrophobicContact CB-CD2 4.23Å; K102-W150 HydrophobicContact CB-CG 3.87Å
103	R	93.7	Very high	90.9	Very high	38 Å²	38	79.8 Å²	79.8	14%	0.143	40%	0.399	C	S	.	.	H	α-helix	trans	-71.5	-26.8	176.3	-73.8	173.8	-171.3	128.4	1.7	113.4	L99 N100 K109 P149 W150	L99-R103 WeakPolarHBondContact O-CG 3.43Å; L99-R103 PolarHBondContact O-N 2.87Å; N100-R103 PolarHBondContact O-N 3.42Å; N100-R103 VanDerWaalsContact O-N 3.16Å; N100-R103 PolarHBondContact OD1-NH1 3.19Å; R103-K109 PolarHBondContact O-NZ 3.27Å; R103-P149 PolarHBondContact NH2-O 2.61Å; R103-P149 VanDerWaalsContact NH2-O 3.17Å; R103-W150 HydrophobicContact CG-CB 4.15Å; R103-W150 WeakPolarHBondContact CG-O 3.46Å; R103-W150 PolarHBondContact NE-O 3.06Å
104	D	93.3	Very high	90.7	Very high	20 Å²	20	80.2 Å²	80.2	11%	0.107	40%	0.396	C	S	.	.			trans	-141.8	78.3	-179.3	-178.2	25.3	0	0	0	111.5	N100 M101 K102 L106 H107 M108 K109	N100-D104 PolarHBondContact O-N 3.02Å; M101-D104 CarbonylContact O-C 3.38Å; K102-D104 VanDerWaalsContact C-N 3.31Å; D104-L106 PolarHBondContact O-N 3.47Å; D104-H107 PolarHBondContact O-N 3.31Å; D104-H107 PolarHBondContact OD1-N 3.27Å; D104-H107 WeakPolarHBondContact OD2-CA 3.34Å; D104-H107 PolarHBondContact OD2-N 3.28Å; D104-M108 PolarHBondContact OD1-N 3.09Å; D104-M108 PolarHBondContact OD2-N 3.04Å; D104-K109 HydrophobicContact CB-CB 4.15Å; D104-K109 HydrophobicContact CB-CD 3.99Å; D104-K109 HydrophobicContact CB-CG 3.99Å; D104-K109 VanDerWaalsContact OD2-CB 3.29Å; D104-K109 WeakPolarHBondContact OD2-CB 3.19Å; D104-K109 PolarHBondContact OD2-N 2.92Å
105	P	87.2	Confident	90.7	Very high	107 Å²	107	79.5 Å²	79.5	70%	0.695	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22	179.7	-22.9	34.6	0	0	0	113.9	M101	M101-P105 WeakPolarHBondContact O-CA 3.38Å
106	L	87.5	Confident	90.8	Very high	135 Å²	135	81.6 Å²	81.6	71%	0.707	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.2	-177.4	-62	179.2	0	0	0	113.3	D104 M108	D104-L106 PolarHBondContact O-N 3.47Å; L106-M108 HydrophobicContact CB-CG 3.73Å; L106-M108 HydrophobicContact CB-SD 3.9Å; L106-M108 HydrophobicContact CD1-SD 3.82Å; L106-M108 PolarHBondContact O-N 3.22Å
107	H	83.5	Confident	90.9	Very high	158 Å²	158	81 Å²	81	73%	0.731	40%	0.403	S	S	*	.			trans	55.1	35.7	-177.4	-119.7	70.2	0	0	0	113.4	D104	D104-H107 PolarHBondContact O-N 3.31Å; D104-H107 PolarHBondContact OD1-N 3.27Å; D104-H107 WeakPolarHBondContact OD2-CA 3.34Å; D104-H107 PolarHBondContact OD2-N 3.28Å
108	M	80	Confident	91.1	Very high	150 Å²	150	76.6 Å²	76.6	74%	0.739	38%	0.384	S	S	*	.			trans	-90.5	-15.5	-179.8	-66.7	-178.2	66.8	0	0	113.4	D104 L106	D104-M108 PolarHBondContact OD1-N 3.09Å; D104-M108 PolarHBondContact OD2-N 3.04Å; L106-M108 HydrophobicContact CB-CG 3.73Å; L106-M108 HydrophobicContact CB-SD 3.9Å; L106-M108 HydrophobicContact CD1-SD 3.82Å; L106-M108 PolarHBondContact O-N 3.22Å
109	K	82.4	Confident	91.3	Very high	106 Å²	106	76.1 Å²	76.1	46%	0.461	38%	0.379	S	S	.	.	S	Bend	trans	-90.4	145.1	-177.6	-63.6	-167.7	-176.2	165.8	0	111.4	R103 D104 E113	R103-K109 PolarHBondContact O-NZ 3.27Å; D104-K109 HydrophobicContact CB-CB 4.15Å; D104-K109 HydrophobicContact CB-CD 3.99Å; D104-K109 HydrophobicContact CB-CG 3.99Å; D104-K109 VanDerWaalsContact OD2-CB 3.29Å; D104-K109 WeakPolarHBondContact OD2-CB 3.19Å; D104-K109 PolarHBondContact OD2-N 2.92Å; K109-E113 HydrophobicContact CB-CB 4.17Å; K109-E113 HydrophobicContact CB-CG 4.41Å; K109-E113 WeakPolarHBondContact CB-OE2 3.43Å; K109-E113 HydrophobicContact CD-CB 4.31Å; K109-E113 WeakPolarHBondContact CD-OE2 3.47Å; K109-E113 WeakPolarHBondContact CG-OE2 3.49Å
110	I	83.4	Confident	91.4	Very high	131 Å²	131	75.5 Å²	75.5	67%	0.672	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-76.6	149.5	174	-54.1	170.9	0	0	0	109.3	G112 E113	I110-G112 PolarHBondContact O-N 3.41Å; I110-E113 HydrophobicContact CB-CG 4.36Å; I110-E113 WeakPolarHBondContact CB-OE1 3.03Å; I110-E113 VanDerWaalsContact N-CD 3.3Å; I110-E113 PolarHBondContact N-OE1 3.5Å; I110-E113 WeakPolarHBondContact O-CB 3.31Å; I110-E113 VanDerWaalsContact O-CG 3.32Å; I110-E113 WeakPolarHBondContact O-CG 3.37Å; I110-E113 PolarHBondContact O-N 3.14Å
111	K	83.9	Confident	91.6	Very high	207 Å²	207	73.3 Å²	73.3	90%	0.9	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	126.3	175.8	-174.6	-178.4	178.6	-176.1	0	110.9
112	G	85.8	Confident	91.8	Very high	29 Å²	29	68.5 Å²	68.5	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	-4.1	-179.6	0	0	0	0	0	114.4	I110 E114 F115	I110-G112 PolarHBondContact O-N 3.41Å; G112-E114 VanDerWaalsContact C-OE2 3.25Å; G112-E114 WeakPolarHBondContact CA-OE2 3.45Å; G112-E114 PolarHBondContact N-OE2 2.98Å; G112-E114 PolarHBondContact O-N 2.97Å; G112-F115 WeakPolarHBondContact O-CB 3.14Å; G112-F115 WeakPolarHBondContact O-CD2 3.19Å; G112-F115 PolarHBondContact O-N 3.03Å
113	E	90.5	Very high	92.1	Very high	98 Å²	98	62.3 Å²	62.3	46%	0.458	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.2	177.3	-79	-172.4	-150.6	0	0	114.6	K109 I110 F115	K109-E113 HydrophobicContact CB-CB 4.17Å; K109-E113 HydrophobicContact CB-CG 4.41Å; K109-E113 WeakPolarHBondContact CB-OE2 3.43Å; K109-E113 HydrophobicContact CD-CB 4.31Å; K109-E113 WeakPolarHBondContact CD-OE2 3.47Å; K109-E113 WeakPolarHBondContact CG-OE2 3.49Å; I110-E113 HydrophobicContact CB-CG 4.36Å; I110-E113 WeakPolarHBondContact CB-OE1 3.03Å; I110-E113 VanDerWaalsContact N-CD 3.3Å; I110-E113 PolarHBondContact N-OE1 3.5Å; I110-E113 WeakPolarHBondContact O-CB 3.31Å; I110-E113 VanDerWaalsContact O-CG 3.32Å; I110-E113 WeakPolarHBondContact O-CG 3.37Å; I110-E113 PolarHBondContact O-N 3.14Å; E113-F115 PolarHBondContact O-N 3.23Å
114	E	95.3	Very high	92.3	Very high	26 Å²	26	60.5 Å²	60.5	12%	0.121	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.8	167.6	71.2	-95	-132.3	0	0	113	Y51 N100 G112 P116 L117	Y51-E114 WeakPolarHBondContact CE2-OE1 3.47Å; Y51-E114 PolarHBondContact OH-OE1 2.74Å; N100-E114 PolarHBondContact ND2-OE1 3.35Å; N100-E114 PolarHBondContact OD1-OE1 2.59Å; G112-E114 VanDerWaalsContact C-OE2 3.25Å; G112-E114 WeakPolarHBondContact CA-OE2 3.45Å; G112-E114 PolarHBondContact N-OE2 2.98Å; G112-E114 PolarHBondContact O-N 2.97Å; E114-P116 CarbonylContact O-C 3.55Å; E114-L117 WeakPolarHBondContact O-CB 3.44Å
115	F	97.6	Very high	92.6	Very high	49 Å²	49	59.5 Å²	59.5	22%	0.215	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-92.7	144.5	-178.7	-59.5	-57.7	0	0	0	112	I48 D49 Y51 G112 E113 L117	I48-F115 HydrophobicContact CD1-CE1 3.98Å; I48-F115 HydrophobicContact CG1-CD1 4.17Å; I48-F115 HydrophobicContact CG1-CE1 3.84Å; I48-F115 VanDerWaalsContact O-CD1 3.22Å; I48-F115 WeakPolarHBondContact O-CD1 3.42Å; D49-F115 WeakPolarHBondContact O-CD2 3.19Å; D49-F115 WeakPolarHBondContact O-CG 3.37Å; Y51-F115 HydrophobicContact CD1-CE1 4.3Å; Y51-F115 HydrophobicContact CD1-CZ 4Å; Y51-F115 HydrophobicContact CD2-CE2 4.46Å; Y51-F115 AromaticContact CD2-CZ 3.77Å; Y51-F115 HydrophobicContact CD2-CZ 3.77Å; Y51-F115 HydrophobicContact CE1-CE1 4.07Å; Y51-F115 AromaticContact CE1-CZ 3.85Å; Y51-F115 HydrophobicContact CE1-CZ 3.85Å; Y51-F115 HydrophobicContact CE2-CE2 4.17Å; Y51-F115 AromaticContact CE2-CZ 3.56Å; Y51-F115 HydrophobicContact CE2-CZ 3.56Å; Y51-F115 AromaticContact CG-CZ 3.97Å; Y51-F115 HydrophobicContact CG-CZ 3.97Å; Y51-F115 AromaticContact CZ-CZ 3.61Å; G112-F115 WeakPolarHBondContact O-CB 3.14Å; G112-F115 WeakPolarHBondContact O-CD2 3.19Å; G112-F115 PolarHBondContact O-N 3.03Å; E113-F115 PolarHBondContact O-N 3.23Å; F115-L117 HydrophobicContact CD1-CB 3.84Å; F115-L117 HydrophobicContact CE1-CB 4.19Å
116	P	97.9	Very high	93.1	Very high	45 Å²	45	55.8 Å²	55.8	29%	0.292	28%	0.277	S	S	.	.	S	Bend	cis	-70.5	128.2	-2.2	28.9	-35	0	0	0	112.5	V47 I48 M63 E114 Q152	V47-P116 HydrophobicContact CB-CB 4Å; V47-P116 HydrophobicContact CG1-CB 4.26Å; V47-P116 HydrophobicContact CG2-CB 4.02Å; I48-P116 WeakPolarHBondContact O-CA 3.47Å; M63-P116 HydrophobicContact CE-CG 4.08Å; M63-P116 HydrophobicContact SD-CG 3.96Å; E114-P116 CarbonylContact O-C 3.55Å; P116-Q152 PolarHBondContact O-NE2 3.18Å
117	L	98.6	Very high	93.7	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.3	-175.1	178.7	64	0	0	0	110.4	V47 I48 Y51 E114 F115 L119	V47-L117 CarbonylContact C-O 3.55Å; V47-L117 VanDerWaalsContact CA-O 3.3Å; V47-L117 WeakPolarHBondContact CA-O 3.29Å; I48-L117 HydrophobicContact CD1-CD2 4.19Å; I48-L117 HydrophobicContact CG1-CB 3.87Å; I48-L117 HydrophobicContact CG1-CD2 4.44Å; I48-L117 HydrophobicContact CG1-CG 4.47Å; I48-L117 PolarHBondContact N-O 3.22Å; I48-L117 PolarHBondContact O-N 3.03Å; Y51-L117 HydrophobicContact CE1-CD2 4.38Å; E114-L117 WeakPolarHBondContact O-CB 3.44Å; F115-L117 HydrophobicContact CD1-CB 3.84Å; F115-L117 HydrophobicContact CE1-CB 4.19Å; L117-L119 HydrophobicContact CD2-CD2 4.15Å; L117-L119 HydrophobicContact CG-CD2 4.32Å
118	T	98.8	Very high	94.4	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.6	172.9	-53.4	0	0	0	0	109.6	R121 G153 L155	T118-R121 PolarHBondContact O-NH2 3.36Å; T118-G153 WeakPolarHBondContact O-CA 3.28Å; T118-G153 PolarHBondContact O-N 2.95Å; T118-L155 HydrophobicContact CG2-CB 4.38Å
119	L	98.9	Very high	95.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.219	C	C	.	.			trans	-90.3	-176.2	176.5	-61.3	175.9	0	0	0	111.3	I48 L57 M90 R91 L117 G153 T154 L155 F379	I48-L119 HydrophobicContact CG2-CD1 4.34Å; L57-L119 HydrophobicContact CD2-CD1 4.42Å; M90-L119 HydrophobicContact CB-CD2 4.07Å; M90-L119 HydrophobicContact CE-CD2 4.14Å; R91-L119 HydrophobicContact CB-CD1 3.75Å; R91-L119 HydrophobicContact CG-CD1 4.27Å; L117-L119 HydrophobicContact CD2-CD2 4.15Å; L117-L119 HydrophobicContact CG-CD2 4.32Å; L119-G153 CarbonylContact O-C 3.51Å; L119-G153 WeakPolarHBondContact O-CA 3.3Å; L119-T154 PolarHBondContact O-N 3.36Å; L119-T154 VanDerWaalsContact O-N 3.08Å; L119-L155 HydrophobicContact CB-CD1 4.1Å; L119-L155 WeakPolarHBondContact O-CB 3.35Å; L119-L155 WeakPolarHBondContact O-CG 3.34Å; L119-L155 PolarHBondContact O-N 3.04Å; L119-F379 HydrophobicContact CB-CZ 4.12Å; L119-F379 HydrophobicContact CD1-CE1 3.75Å; L119-F379 HydrophobicContact CD1-CZ 3.88Å
120	G	98.6	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.			trans	93.6	124.8	-176	0	0	0	0	0	113.1	D87 G153 T154	D87-G120 WeakPolarHBondContact OD1-CA 3.32Å; D87-G120 PolarHBondContact OD1-N 3.08Å; G120-G153 CarbonylContact O-C 3.44Å; G120-G153 WeakPolarHBondContact O-CA 3.48Å; G120-T154 WeakPolarHBondContact CA-OG1 3.12Å; G120-T154 PolarHBondContact O-N 3.38Å; G120-T154 PolarHBondContact O-OG1 3.03Å
121	R	98.8	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.			trans	-107.9	-21.6	-175.2	-48.5	-66.6	71.4	98.6	-17.2	113.4	I86 D87 T118 A146 V147 Y183	I86-R121 HydrophobicContact CG2-CG 3.81Å; D87-R121 IonicContact OD1-CZ 2.74Å; D87-R121 IonicContact OD1-NE 2.67Å; D87-R121 IonicContact OD1-NH1 2.68Å; D87-R121 PolarHBondContact OD1-NH1 3.2Å; T118-R121 PolarHBondContact O-NH2 3.36Å; R121-A146 CarbonylContact O-C 3.57Å; R121-A146 VanDerWaalsContact O-CA 3.23Å; R121-A146 WeakPolarHBondContact O-CA 3.26Å; R121-V147 PolarHBondContact O-N 2.83Å; R121-Y183 HydrophobicContact CB-CD2 3.44Å; R121-Y183 VanDerWaalsContact CB-CD2 3.44Å; R121-Y183 HydrophobicContact CB-CE2 3.92Å; R121-Y183 HydrophobicContact CB-CG 3.98Å; R121-Y183 HydrophobicContact CG-CD2 3.97Å; R121-Y183 HydrophobicContact CG-CE2 3.93Å
122	D	98.9	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.3	-178.3	-65.9	-66.1	0	0	0	111.1	A81 S82 N84 T154 A179 P182 Y183	A81-D122 VanDerWaalsContact CA-O 3.29Å; A81-D122 WeakPolarHBondContact CA-O 3.28Å; A81-D122 VanDerWaalsContact CB-O 3.27Å; A81-D122 WeakPolarHBondContact CB-O 3.39Å; S82-D122 WeakPolarHBondContact CB-OD2 3.41Å; S82-D122 PolarHBondContact OG-OD2 3.26Å; N84-D122 PolarHBondContact ND2-OD2 3.08Å; D122-T154 WeakPolarHBondContact O-CB 3.37Å; D122-T154 WeakPolarHBondContact O-CG2 3.37Å; D122-T154 PolarHBondContact O-OG1 2.8Å; D122-A179 WeakPolarHBondContact CB-O 3.11Å; D122-P182 WeakPolarHBondContact OD1-CB 3.41Å; D122-P182 WeakPolarHBondContact OD1-CD 3.37Å; D122-Y183 WeakPolarHBondContact OD1-CB 3.37Å; D122-Y183 PolarHBondContact OD1-N 2.68Å
123	V	98.9	Very high	98	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.8	167.7	51.6	0	0	0	0	109.8	V76 V78 W144 A145 T154 V159	V76-V123 HydrophobicContact CG1-CG2 3.89Å; V78-V123 HydrophobicContact CB-CG2 4.33Å; V78-V123 HydrophobicContact CG1-CG2 4.11Å; V78-V123 HydrophobicContact CG2-CG2 3.95Å; V123-W144 CarbonylContact O-C 3.28Å; V123-W144 WeakPolarHBondContact O-CA 3.21Å; V123-W144 WeakPolarHBondContact O-CB 3.46Å; V123-A145 HydrophobicContact CG1-CB 3.7Å; V123-A145 PolarHBondContact N-O 2.78Å; V123-A145 PolarHBondContact O-N 2.96Å; V123-T154 HydrophobicContact CB-CG2 3.74Å; V123-T154 HydrophobicContact CG1-CG2 4.03Å; V123-V159 HydrophobicContact CB-CG1 4.37Å; V123-V159 HydrophobicContact CG1-CG1 4.29Å; V123-V159 HydrophobicContact CG2-CG1 4.19Å
124	S	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	151.3	-171.6	0	0	0	0	108.8	H79 A80 V143 H175 A178	H79-S124 PolarHBondContact N-O 3.43Å; A80-S124 PolarHBondContact N-O 3.32Å; A80-S124 PolarHBondContact O-N 2.82Å; S124-V143 WeakPolarHBondContact CA-O 3.35Å; S124-V143 PolarHBondContact OG-O 3.43Å; S124-H175 WeakPolarHBondContact CB-O 3.42Å; S124-H175 PolarHBondContact OG-ND1 2.98Å; S124-A178 WeakPolarHBondContact OG-CB 3.46Å
125	G	98.9	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-159.6	-170.6	0	0	0	0	0	113.1	K77 E142 V143 H175	K77-G125 WeakPolarHBondContact O-CA 3.4Å; G125-E142 WeakPolarHBondContact O-CA 3.21Å; G125-V143 PolarHBondContact N-O 3.18Å; G125-V143 PolarHBondContact O-N 3.49Å; G125-H175 PolarHBondContact N-ND1 2.76Å; G125-H175 PolarHBondContact O-CE1 2.77Å
126	V	98.9	Very high	98.4	Very high	29 Å²	29	46.9 Å²	46.9	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.7	-175.2	-178.5	0	0	0	0	109.9	V76 K77 M128 D141	V76-V126 CarbonylContact C-O 3.5Å; V76-V126 WeakPolarHBondContact CA-O 3.43Å; K77-V126 PolarHBondContact N-O 3.17Å; K77-V126 PolarHBondContact O-N 2.92Å; V126-M128 PolarHBondContact O-N 3.47Å; V126-D141 CarbonylContact C-O 3.59Å; V126-D141 WeakPolarHBondContact CA-O 3.47Å
127	V	98.8	Very high	98.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.4	175.2	176.8	0	0	0	0	110	V74 C130 K138 P139 G140 D141 V143	V74-V127 HydrophobicContact CG1-CB 4.29Å; V74-V127 HydrophobicContact CG1-CG1 3.57Å; V74-V127 HydrophobicContact CG1-CG2 3.9Å; V127-C130 VanDerWaalsContact CG1-SG 3.56Å; V127-K138 WeakPolarHBondContact CB-O 3.46Å; V127-K138 WeakPolarHBondContact CG1-O 3.33Å; V127-P139 CarbonylContact O-C 3.56Å; V127-P139 WeakPolarHBondContact O-CA 3.36Å; V127-G140 PolarHBondContact O-N 3.29Å; V127-D141 HydrophobicContact CB-CB 4.44Å; V127-D141 HydrophobicContact CG2-CB 4.14Å; V127-D141 PolarHBondContact N-O 3.09Å; V127-V143 HydrophobicContact CG2-CB 4.35Å; V127-V143 HydrophobicContact CG2-CG1 3.61Å; V127-V143 HydrophobicContact CG2-CG2 3.76Å
128	M	98.2	Very high	98.4	Very high	90 Å²	90	51.9 Å²	51.9	44%	0.443	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-43.7	177.6	-63.7	-57.4	-55.7	0	0	112	I75 K77 V126 F158	I75-M128 HydrophobicContact CB-CB 4.48Å; I75-M128 HydrophobicContact CG2-CB 4.16Å; I75-M128 PolarHBondContact O-N 2.96Å; K77-M128 HydrophobicContact CB-CG 3.67Å; K77-M128 HydrophobicContact CB-SD 3.7Å; K77-M128 HydrophobicContact CD-SD 4.28Å; V126-M128 PolarHBondContact O-N 3.47Å; M128-F158 HydrophobicContact CG-CD1 4.04Å; M128-F158 HydrophobicContact CG-CE1 3.84Å; M128-F158 HydrophobicContact SD-CE1 4.42Å
129	E	97.9	Very high	98.4	Very high	107 Å²	107	55.6 Å²	55.6	50%	0.5	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.7	-176.2	-166.7	169.9	-176.7	0	0	110	I68 V74 I75	I68-E129 HydrophobicContact CD1-CB 4.16Å; I68-E129 HydrophobicContact CD1-CG 3.86Å; V74-E129 WeakPolarHBondContact CA-O 3.42Å; I75-E129 HydrophobicContact CB-CB 4.37Å; I75-E129 HydrophobicContact CD1-CB 4.29Å; I75-E129 PolarHBondContact N-O 2.9Å
130	C	98.5	Very high	98.4	Very high	30 Å²	30	58.1 Å²	58.1	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.3	-179.2	-67.1	0	0	0	0	109.9	V127 V134 F137	V127-C130 VanDerWaalsContact CG1-SG 3.56Å; C130-V134 HydrophobicContact CB-CB 3.97Å; C130-V134 HydrophobicContact CB-CG1 4.13Å; C130-V134 HydrophobicContact CB-CG2 4.39Å; C130-F137 PolarHBondContact SG-O 2.8Å
131	G	98.2	Very high	98.4	Very high	8 Å²	8	59 Å²	59	8%	0.082	30%	0.304	C	S	.	.			trans	-68.1	163	165.8	0	0	0	0	0	111.4	P71 E73 D133 V134	P71-G131 CarbonylContact O-C 2.97Å; P71-G131 WeakPolarHBondContact O-CA 3.37Å; E73-G131 PolarHBondContact O-N 2.91Å; G131-D133 PolarHBondContact O-N 2.85Å; G131-V134 WeakPolarHBondContact O-CB 3.42Å; G131-V134 PolarHBondContact O-N 2.88Å; G131-V134 VanDerWaalsContact O-N 3.15Å
132	L	97.9	Very high	98.4	Very high	170 Å²	170	63.3 Å²	63.3	89%	0.89	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.4	-170.8	-59.9	177.3	0	0	0	114.6	P71	P71-L132 PolarHBondContact O-N 3.24Å
133	D	98.4	Very high	98.4	Very high	102 Å²	102	63.4 Å²	63.4	55%	0.545	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.3	-179.3	-68.6	-14.5	0	0	0	112.7	P71 G131 K135	P71-D133 HydrophobicContact CB-CB 4.05Å; P71-D133 WeakPolarHBondContact CB-OD2 3.42Å; P71-D133 HydrophobicContact CG-CB 4.45Å; P71-D133 WeakPolarHBondContact CG-OD2 3.3Å; P71-D133 WeakPolarHBondContact O-CB 3.48Å; P71-D133 PolarHBondContact O-N 2.81Å; G131-D133 PolarHBondContact O-N 2.85Å; D133-K135 PolarHBondContact O-N 3.23Å
134	V	98.4	Very high	98.4	Very high	24 Å²	24	63.3 Å²	63.3	15%	0.145	32%	0.324	C	S	.	.			trans	-77.6	117.2	177.1	179.7	0	0	0	0	109.4	V74 C130 G131 F137	V74-V134 HydrophobicContact CG2-CB 4.45Å; V74-V134 HydrophobicContact CG2-CG1 3.87Å; V74-V134 HydrophobicContact CG2-CG2 3.8Å; C130-V134 HydrophobicContact CB-CB 3.97Å; C130-V134 HydrophobicContact CB-CG1 4.13Å; C130-V134 HydrophobicContact CB-CG2 4.39Å; G131-V134 WeakPolarHBondContact O-CB 3.42Å; G131-V134 PolarHBondContact O-N 2.88Å; G131-V134 VanDerWaalsContact O-N 3.15Å; V134-F137 HydrophobicContact CG1-CB 3.9Å; V134-F137 HydrophobicContact CG1-CD2 4.12Å
135	K	96.4	Very high	98.4	Very high	177 Å²	177	63.3 Å²	63.3	77%	0.77	32%	0.324	S	S	*	.			trans	-104.3	-34.6	-173.6	-61.1	-174.4	-178.4	-178.2	0	114.6	D133	D133-K135 PolarHBondContact O-N 3.23Å
136	Y	97.5	Very high	98.4	Very high	193 Å²	193	63.3 Å²	63.3	76%	0.757	32%	0.324	S	S	*	.	S	Bend	trans	-99.1	-5.9	-168.8	-55.8	-64.3	0	0	0	113.8
137	F	98.6	Very high	98.4	Very high	22 Å²	22	62 Å²	62	10%	0.096	32%	0.315	C	S	.	.			trans	-124.1	141.8	178.4	-56.9	-76.1	0	0	0	110.2	C130 V134 D141 V143 V166 H168	C130-F137 PolarHBondContact SG-O 2.8Å; V134-F137 HydrophobicContact CG1-CB 3.9Å; V134-F137 HydrophobicContact CG1-CD2 4.12Å; F137-D141 WeakPolarHBondContact CA-OD2 3.27Å; F137-V143 HydrophobicContact CD1-CG1 3.84Å; F137-V143 HydrophobicContact CE1-CG1 4.02Å; F137-V166 HydrophobicContact CD2-CG1 3.88Å; F137-V166 HydrophobicContact CE1-CG1 4.45Å; F137-V166 HydrophobicContact CE1-CG2 4.41Å; F137-V166 HydrophobicContact CE2-CG1 3.52Å; F137-V166 HydrophobicContact CZ-CG1 3.83Å; F137-V166 HydrophobicContact CZ-CG2 4.45Å; F137-V166 WeakPolarHBondContact CZ-O 3.03Å; F137-H168 AromaticContact CD1-CE1 3.79Å; F137-H168 AromaticContact CD1-NE2 3.92Å; F137-H168 AromaticContact CE1-CD2 3.94Å; F137-H168 AromaticContact CE1-CE1 3.97Å; F137-H168 AromaticContact CE1-NE2 3.82Å
138	K	98.4	Very high	98.4	Very high	131 Å²	131	62 Å²	62	57%	0.57	32%	0.316	S	S	*	.			trans	-134.1	158.8	174.5	65.8	-171.3	177.5	-55.1	0	110.8	V127 G140 D141	V127-K138 WeakPolarHBondContact CB-O 3.46Å; V127-K138 WeakPolarHBondContact CG1-O 3.33Å; K138-G140 PolarHBondContact O-N 3.07Å; K138-D141 WeakPolarHBondContact CG-OD2 3.43Å; K138-D141 PolarHBondContact N-OD2 2.96Å; K138-D141 IonicContact NZ-OD1 3.1Å; K138-D141 PolarHBondContact NZ-OD1 2.99Å; K138-D141 IonicContact NZ-OD2 3.76Å; K138-D141 WeakPolarHBondContact O-CB 3.36Å; K138-D141 VanDerWaalsContact O-CG 3.28Å; K138-D141 PolarHBondContact O-N 2.92Å; K138-D141 VanDerWaalsContact O-N 3.12Å
139	P	98.8	Very high	98.4	Very high	82 Å²	82	58.5 Å²	58.5	53%	0.532	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	133.2	172.1	-29.2	36.8	0	0	0	112.6	V127	V127-P139 CarbonylContact O-C 3.56Å; V127-P139 WeakPolarHBondContact O-CA 3.36Å
140	G	98.6	Very high	98.4	Very high	53 Å²	53	58.5 Å²	58.5	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-10.9	-176.3	0	0	0	0	0	115.2	V127 K138	V127-G140 PolarHBondContact O-N 3.29Å; K138-G140 PolarHBondContact O-N 3.07Å
141	D	98.8	Very high	98.4	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.107	30%	0.295	C	S	.	.			trans	-69.3	134.4	176.3	-71	-18.2	0	0	0	111.6	V126 V127 F137 K138 V143 H168	V126-D141 CarbonylContact C-O 3.59Å; V126-D141 WeakPolarHBondContact CA-O 3.47Å; V127-D141 HydrophobicContact CB-CB 4.44Å; V127-D141 HydrophobicContact CG2-CB 4.14Å; V127-D141 PolarHBondContact N-O 3.09Å; F137-D141 WeakPolarHBondContact CA-OD2 3.27Å; K138-D141 WeakPolarHBondContact CG-OD2 3.43Å; K138-D141 PolarHBondContact N-OD2 2.96Å; K138-D141 IonicContact NZ-OD1 3.1Å; K138-D141 PolarHBondContact NZ-OD1 2.99Å; K138-D141 IonicContact NZ-OD2 3.76Å; K138-D141 WeakPolarHBondContact O-CB 3.36Å; K138-D141 VanDerWaalsContact O-CG 3.28Å; K138-D141 PolarHBondContact O-N 2.92Å; K138-D141 VanDerWaalsContact O-N 3.12Å; D141-V143 HydrophobicContact CB-CG1 4.35Å; D141-H168 IonicContact OD2-CE1 2.68Å
142	E	98.9	Very high	98.4	Very high	90 Å²	90	62.8 Å²	62.8	42%	0.421	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.4	171	-58.4	-170.2	135.7	0	0	110.2	G125 K169 H175	G125-E142 WeakPolarHBondContact O-CA 3.21Å; E142-K169 HydrophobicContact CB-CD 4.3Å; E142-K169 HydrophobicContact CB-CG 3.92Å; E142-K169 PolarHBondContact O-N 2.86Å; E142-K169 WeakPolarHBondContact OE2-CE 3.18Å; E142-K169 IonicContact OE2-NZ 2.78Å; E142-K169 PolarHBondContact OE2-NZ 2.68Å; E142-H175 IonicContact OE1-NE2 3.85Å
143	V	98.9	Very high	98.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163.6	-172.2	-65.9	0	0	0	0	112.4	V76 S124 G125 V127 F137 D141 V166 S167	V76-V143 HydrophobicContact CG1-CG2 3.81Å; V76-V143 HydrophobicContact CG2-CG2 3.82Å; S124-V143 WeakPolarHBondContact CA-O 3.35Å; S124-V143 PolarHBondContact OG-O 3.43Å; G125-V143 PolarHBondContact N-O 3.18Å; G125-V143 PolarHBondContact O-N 3.49Å; V127-V143 HydrophobicContact CG2-CB 4.35Å; V127-V143 HydrophobicContact CG2-CG1 3.61Å; V127-V143 HydrophobicContact CG2-CG2 3.76Å; F137-V143 HydrophobicContact CD1-CG1 3.84Å; F137-V143 HydrophobicContact CE1-CG1 4.02Å; D141-V143 HydrophobicContact CB-CG1 4.35Å; V143-V166 HydrophobicContact CB-CG2 3.61Å; V143-V166 HydrophobicContact CG1-CG2 3.89Å; V143-V166 HydrophobicContact CG2-CG2 3.97Å; V143-S167 CarbonylContact C-O 3.58Å; V143-S167 VanDerWaalsContact CA-O 3.24Å; V143-S167 WeakPolarHBondContact CA-O 3.08Å; V143-S167 VanDerWaalsContact CB-O 3.27Å; V143-S167 WeakPolarHBondContact CB-O 3.5Å
144	W	98.9	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.6	166.2	66.6	-12	0	0	0	110.7	V123 S167 H168 K169 P170 A178 L181 P182 L350 I353 A354	V123-W144 CarbonylContact O-C 3.28Å; V123-W144 WeakPolarHBondContact O-CA 3.21Å; V123-W144 WeakPolarHBondContact O-CB 3.46Å; W144-S167 PolarHBondContact N-O 3.32Å; W144-S167 PolarHBondContact NE1-OG 3.41Å; W144-S167 PolarHBondContact O-N 3Å; W144-H168 PolarHBondContact NE1-O 2.74Å; W144-K169 HydrophobicContact CB-CB 4.06Å; W144-K169 HydrophobicContact CD2-CB 4.42Å; W144-K169 HydrophobicContact CG-CB 4.02Å; W144-P170 HydrophobicContact CE3-CG 4.36Å; W144-P170 HydrophobicContact CH2-CG 3.5Å; W144-P170 HydrophobicContact CZ2-CG 3.81Å; W144-P170 HydrophobicContact CZ3-CG 3.79Å; W144-A178 HydrophobicContact CE3-CB 4.06Å; W144-L181 HydrophobicContact CE3-CB 4.43Å; W144-L181 HydrophobicContact CH2-CB 4.39Å; W144-L181 HydrophobicContact CH2-CD1 4.33Å; W144-L181 HydrophobicContact CZ3-CB 3.67Å; W144-L181 HydrophobicContact CZ3-CD1 3.78Å; W144-L181 HydrophobicContact CZ3-CG 4.37Å; W144-P182 HydrophobicContact CB-CG 4.16Å; W144-P182 HydrophobicContact CD2-CG 4.09Å; W144-P182 HydrophobicContact CE3-CG 3.79Å; W144-P182 HydrophobicContact CG-CG 4.29Å; W144-L350 HydrophobicContact CZ2-CB 4.35Å; W144-L350 HydrophobicContact CZ2-CD2 4.14Å; W144-L350 WeakPolarHBondContact CZ2-O 3.27Å; W144-I353 HydrophobicContact CH2-CG2 3.98Å; W144-I353 HydrophobicContact CZ2-CG2 4.31Å; W144-A354 HydrophobicContact CZ2-CB 3.81Å
145	A	98.9	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	158.6	178.8	0	0	0	0	0	111.1	V123 V161 E165 V166 P182	V123-A145 HydrophobicContact CG1-CB 3.7Å; V123-A145 PolarHBondContact N-O 2.78Å; V123-A145 PolarHBondContact O-N 2.96Å; A145-V161 HydrophobicContact CB-CG1 4.31Å; A145-E165 WeakPolarHBondContact CB-O 3.38Å; A145-V166 HydrophobicContact CB-CB 4.3Å; A145-P182 WeakPolarHBondContact O-CB 3.5Å
146	A	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.7	164.3	0	0	0	0	0	109.6	R121 P182 Y183 L186 F343 A345	R121-A146 CarbonylContact O-C 3.57Å; R121-A146 VanDerWaalsContact O-CA 3.23Å; R121-A146 WeakPolarHBondContact O-CA 3.26Å; A146-P182 HydrophobicContact CB-CB 3.77Å; A146-Y183 HydrophobicContact CB-CD2 4.45Å; A146-L186 HydrophobicContact CB-CD1 3.68Å; A146-F343 HydrophobicContact CB-CE2 3.46Å; A146-F343 VanDerWaalsContact CB-CE2 3.46Å; A146-F343 HydrophobicContact CB-CZ 3.52Å; A146-A345 VanDerWaalsContact O-CB 3.32Å; A146-A345 WeakPolarHBondContact O-CB 3.41Å
147	V	98.7	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.			trans	-82.1	129.8	-174.2	-175	0	0	0	0	110.6	R121 K151 T154 V159 V161	R121-V147 PolarHBondContact O-N 2.83Å; V147-K151 HydrophobicContact CG1-CB 3.75Å; V147-K151 HydrophobicContact CG1-CD 4.38Å; V147-T154 HydrophobicContact CB-CG2 4.41Å; V147-T154 HydrophobicContact CG2-CG2 3.55Å; V147-V159 HydrophobicContact CG2-CG2 4.29Å; V147-V161 HydrophobicContact CG2-CG1 3.72Å
148	P	98.5	Very high	98.6	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.013	17%	0.174	C	C	.	.			trans	-54.3	142.1	174.7	-26.4	32.6	0	0	0	113.9	W150 K151 E165 A345	P148-W150 HydrophobicContact CB-CD2 3.74Å; P148-W150 VanDerWaalsContact CB-CE2 3.49Å; P148-W150 HydrophobicContact CB-CE3 3.87Å; P148-W150 HydrophobicContact CB-CH2 3.6Å; P148-W150 HydrophobicContact CB-CZ2 3.43Å; P148-W150 VanDerWaalsContact CB-CZ2 3.43Å; P148-W150 HydrophobicContact CB-CZ3 3.81Å; P148-W150 HydrophobicContact CG-CH2 4.24Å; P148-W150 HydrophobicContact CG-CZ2 3.92Å; P148-W150 PolarHBondContact O-N 2.78Å; P148-K151 HydrophobicContact CG-CD 4.48Å; P148-K151 PolarHBondContact O-N 2.87Å; P148-E165 VanDerWaalsContact CG-OE1 3.29Å; P148-E165 WeakPolarHBondContact CG-OE1 3.39Å; P148-A345 HydrophobicContact CG-CB 3.82Å
149	P	98.1	Very high	98.6	Very high	17 Å²	17	27.8 Å²	27.8	11%	0.11	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.7	-174.5	-25.3	34.3	0	0	0	116	M90 L99 R103	M90-P149 HydrophobicContact CE-CB 4.32Å; M90-P149 WeakPolarHBondContact CE-O 3.11Å; M90-P149 HydrophobicContact SD-CB 3.94Å; L99-P149 HydrophobicContact CD1-CB 4.18Å; L99-P149 HydrophobicContact CD2-CB 3.86Å; R103-P149 PolarHBondContact NH2-O 2.61Å; R103-P149 VanDerWaalsContact NH2-O 3.17Å
150	W	97.8	Very high	98.6	Very high	107 Å²	107	25 Å²	25	41%	0.405	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-16	177.4	59.6	87.7	0	0	0	113.4	L99 K102 R103 P148	L99-W150 HydrophobicContact CD2-CB 4.27Å; K102-W150 HydrophobicContact CB-CB 3.76Å; K102-W150 HydrophobicContact CB-CD2 4.23Å; K102-W150 HydrophobicContact CB-CG 3.87Å; R103-W150 HydrophobicContact CG-CB 4.15Å; R103-W150 WeakPolarHBondContact CG-O 3.46Å; R103-W150 PolarHBondContact NE-O 3.06Å; P148-W150 HydrophobicContact CB-CD2 3.74Å; P148-W150 VanDerWaalsContact CB-CE2 3.49Å; P148-W150 HydrophobicContact CB-CE3 3.87Å; P148-W150 HydrophobicContact CB-CH2 3.6Å; P148-W150 HydrophobicContact CB-CZ2 3.43Å; P148-W150 VanDerWaalsContact CB-CZ2 3.43Å; P148-W150 HydrophobicContact CB-CZ3 3.81Å; P148-W150 HydrophobicContact CG-CH2 4.24Å; P148-W150 HydrophobicContact CG-CZ2 3.92Å; P148-W150 PolarHBondContact O-N 2.78Å
151	K	98.1	Very high	98.6	Very high	47 Å²	47	22.4 Å²	22.4	20%	0.204	10%	0.104	C	C	.	.	S	Bend	trans	-86.3	165	176.1	-69.4	-174.1	175.5	178.3	0	111.9	V147 P148 S162 E165	V147-K151 HydrophobicContact CG1-CB 3.75Å; V147-K151 HydrophobicContact CG1-CD 4.38Å; P148-K151 HydrophobicContact CG-CD 4.48Å; P148-K151 PolarHBondContact O-N 2.87Å; K151-S162 PolarHBondContact NZ-OG 3.19Å; K151-E165 WeakPolarHBondContact CE-OE1 3.31Å; K151-E165 IonicContact NZ-OE1 3.88Å; K151-E165 PolarHBondContact NZ-OE1 3.21Å; K151-E165 IonicContact NZ-OE2 2.81Å; K151-E165 PolarHBondContact NZ-OE2 3.42Å
152	Q	98.4	Very high	98.6	Very high	81 Å²	81	22.1 Å²	22.1	38%	0.379	10%	0.103	S	C	.	.			trans	-63	138.8	169.6	-72.7	-72	35.3	0	0	110.5	P116	P116-Q152 PolarHBondContact O-NE2 3.18Å
153	G	98.5	Very high	98.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	9%	0.094	C	C	.	.			trans	-86	-170.9	-170.6	0	0	0	0	0	116.4	T118 L119 G120 S156 V159	T118-G153 WeakPolarHBondContact O-CA 3.28Å; T118-G153 PolarHBondContact O-N 2.95Å; L119-G153 CarbonylContact O-C 3.51Å; L119-G153 WeakPolarHBondContact O-CA 3.3Å; G120-G153 CarbonylContact O-C 3.44Å; G120-G153 WeakPolarHBondContact O-CA 3.48Å; G153-S156 PolarHBondContact O-OG 3.29Å; G153-V159 WeakPolarHBondContact O-CG2 3.39Å
154	T	98.8	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-104.7	0.9	-168.7	61.9	0	0	0	0	114.3	L119 G120 D122 V123 V147 S156 V159	L119-T154 PolarHBondContact O-N 3.36Å; L119-T154 VanDerWaalsContact O-N 3.08Å; G120-T154 WeakPolarHBondContact CA-OG1 3.12Å; G120-T154 PolarHBondContact O-N 3.38Å; G120-T154 PolarHBondContact O-OG1 3.03Å; D122-T154 WeakPolarHBondContact O-CB 3.37Å; D122-T154 WeakPolarHBondContact O-CG2 3.37Å; D122-T154 PolarHBondContact O-OG1 2.8Å; V123-T154 HydrophobicContact CB-CG2 3.74Å; V123-T154 HydrophobicContact CG1-CG2 4.03Å; V147-T154 HydrophobicContact CB-CG2 4.41Å; V147-T154 HydrophobicContact CG2-CG2 3.55Å; T154-S156 PolarHBondContact O-N 3.49Å; T154-V159 HydrophobicContact CG2-CG1 4.33Å; T154-V159 HydrophobicContact CG2-CG2 4.14Å
155	L	98.9	Very high	98.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.	S	Bend	trans	-80.9	52.9	172.5	-62.4	171.2	0	0	0	111.4	W46 A81 T118 L119 V375 F379 I393	W46-L155 HydrophobicContact CB-CB 4.3Å; W46-L155 PolarHBondContact N-O 3.42Å; A81-L155 HydrophobicContact CB-CD2 4.15Å; T118-L155 HydrophobicContact CG2-CB 4.38Å; L119-L155 HydrophobicContact CB-CD1 4.1Å; L119-L155 WeakPolarHBondContact O-CB 3.35Å; L119-L155 WeakPolarHBondContact O-CG 3.34Å; L119-L155 PolarHBondContact O-N 3.04Å; L155-V375 HydrophobicContact CD1-CG1 4.03Å; L155-V375 HydrophobicContact CD2-CG2 4.24Å; L155-F379 HydrophobicContact CD1-CE2 3.57Å; L155-F379 HydrophobicContact CD1-CZ 3.82Å; L155-I393 HydrophobicContact CD2-CB 4.4Å; L155-I393 HydrophobicContact CD2-CG1 3.93Å
156	S	98.6	Very high	98.5	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-148.7	162.7	-177.3	52.2	0	0	0	0	109.9	V78 G153 T154 F158	V78-S156 VanDerWaalsContact CB-O 3.31Å; V78-S156 WeakPolarHBondContact CB-O 3.47Å; V78-S156 VanDerWaalsContact CG2-O 3.3Å; V78-S156 WeakPolarHBondContact CG2-O 3.45Å; G153-S156 PolarHBondContact O-OG 3.29Å; T154-S156 PolarHBondContact O-N 3.49Å; S156-F158 VanDerWaalsContact C-N 3.28Å; S156-F158 PolarHBondContact O-N 3.48Å; S156-F158 PolarHBondContact OG-O 3.22Å
157	E	98.4	Very high	98.5	Very high	49 Å²	49	24.6 Å²	24.6	23%	0.229	12%	0.124	C	C	.	.	S	Bend	trans	-63.8	-34.4	176.6	-166.1	-176.4	179.1	0	0	112.7	M43 P44 K77 V78	M43-E157 HydrophobicContact CB-CB 4.04Å; M43-E157 HydrophobicContact SD-CB 4.42Å; P44-E157 WeakPolarHBondContact CD-OE2 3.04Å; P44-E157 HydrophobicContact CG-CB 4.02Å; P44-E157 PolarHBondContact O-N 3.03Å; K77-E157 IonicContact NZ-OE1 3.54Å; K77-E157 PolarHBondContact NZ-OE1 3.36Å; V78-E157 PolarHBondContact N-O 2.81Å
158	F	98.6	Very high	98.5	Very high	25 Å²	25	28.3 Å²	28.3	11%	0.11	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.2	177.9	-55.5	-84.9	0	0	0	111.1	M43 I65 P66 I75 V76 K77 M128 S156	M43-F158 HydrophobicContact CB-CD2 4.08Å; M43-F158 HydrophobicContact CB-CE2 4.48Å; M43-F158 HydrophobicContact SD-CB 3.8Å; M43-F158 HydrophobicContact SD-CD2 3.84Å; M43-F158 HydrophobicContact SD-CG 4.34Å; M43-F158 PolarHBondContact SD-N 3.37Å; I65-F158 HydrophobicContact CD1-CD2 4.41Å; I65-F158 HydrophobicContact CD1-CE2 4.2Å; I65-F158 HydrophobicContact CG1-CD2 4.44Å; P66-F158 HydrophobicContact CG-CB 3.97Å; I75-F158 HydrophobicContact CG2-CB 4.21Å; I75-F158 HydrophobicContact CG2-CD1 4.22Å; V76-F158 VanDerWaalsContact O-CA 3.28Å; V76-F158 WeakPolarHBondContact O-CA 3.25Å; K77-F158 HydrophobicContact CB-CD1 3.9Å; K77-F158 HydrophobicContact CB-CE1 3.73Å; K77-F158 HydrophobicContact CD-CE1 4.22Å; K77-F158 HydrophobicContact CG-CD1 4.23Å; K77-F158 HydrophobicContact CG-CE1 3.8Å; K77-F158 HydrophobicContact CG-CZ 4.45Å; M128-F158 HydrophobicContact CG-CD1 4.04Å; M128-F158 HydrophobicContact CG-CE1 3.84Å; M128-F158 HydrophobicContact SD-CE1 4.42Å; S156-F158 VanDerWaalsContact C-N 3.28Å; S156-F158 PolarHBondContact O-N 3.48Å; S156-F158 PolarHBondContact OG-O 3.22Å
159	V	98.7	Very high	98.5	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.03	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.9	174.9	65.7	0	0	0	0	110.1	V76 V78 V123 V147 G153 T154 V161	V76-V159 HydrophobicContact CB-CG1 4.13Å; V76-V159 PolarHBondContact N-O 2.99Å; V76-V159 PolarHBondContact O-N 2.9Å; V78-V159 HydrophobicContact CG2-CB 4.19Å; V78-V159 HydrophobicContact CG2-CG1 3.78Å; V123-V159 HydrophobicContact CB-CG1 4.37Å; V123-V159 HydrophobicContact CG1-CG1 4.29Å; V123-V159 HydrophobicContact CG2-CG1 4.19Å; V147-V159 HydrophobicContact CG2-CG2 4.29Å; G153-V159 WeakPolarHBondContact O-CG2 3.39Å; T154-V159 HydrophobicContact CG2-CG1 4.33Å; T154-V159 HydrophobicContact CG2-CG2 4.14Å; V159-V161 HydrophobicContact CG1-CG1 4.38Å; V159-V161 HydrophobicContact CG2-CG1 4.4Å
160	V	98.7	Very high	98.5	Very high	23 Å²	23	28.1 Å²	28.1	14%	0.139	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.2	169.9	164.5	0	0	0	0	109.6	P66 E73 V74 I75	P66-V160 HydrophobicContact CB-CB 4.34Å; P66-V160 HydrophobicContact CB-CG2 3.6Å; P66-V160 HydrophobicContact CG-CG2 3.97Å; E73-V160 HydrophobicContact CB-CG1 3.9Å; E73-V160 HydrophobicContact CG-CG1 3.95Å; V74-V160 WeakPolarHBondContact O-CA 3.29Å; I75-V160 HydrophobicContact CG1-CG2 3.64Å
161	V	98.5	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.3	175	-61.8	0	0	0	0	109.9	E73 V74 V76 A145 V147 V159 V166	E73-V161 CarbonylContact C-O 3.57Å; E73-V161 WeakPolarHBondContact CA-O 3.14Å; V74-V161 HydrophobicContact CB-CG2 4.26Å; V74-V161 PolarHBondContact N-O 3.47Å; V74-V161 PolarHBondContact O-N 3.31Å; V76-V161 HydrophobicContact CG2-CG2 4.03Å; A145-V161 HydrophobicContact CB-CG1 4.31Å; V147-V161 HydrophobicContact CG2-CG1 3.72Å; V159-V161 HydrophobicContact CG1-CG1 4.38Å; V159-V161 HydrophobicContact CG2-CG1 4.4Å; V161-V166 HydrophobicContact CG2-CB 3.97Å; V161-V166 HydrophobicContact CG2-CG1 4.4Å; V161-V166 HydrophobicContact CG2-CG2 4.43Å
162	S	98.5	Very high	98.6	Very high	13 Å²	13	33 Å²	33	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	147.9	172.6	-63	0	0	0	0	110.2	K151 N164 E165	K151-S162 PolarHBondContact NZ-OG 3.19Å; S162-N164 WeakPolarHBondContact CB-OD1 3.31Å; S162-N164 PolarHBondContact O-N 3.38Å; S162-E165 PolarHBondContact N-OE2 2.84Å; S162-E165 WeakPolarHBondContact O-CB 3.46Å; S162-E165 PolarHBondContact O-N 2.84Å
163	G	98.1	Very high	98.6	Very high	23 Å²	23	29.9 Å²	29.9	24%	0.237	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.6	-178.2	0	0	0	0	0	114.7	N72 V166	N72-G163 PolarHBondContact O-N 3.26Å; G163-V166 WeakPolarHBondContact O-CG1 3.46Å
164	N	98.1	Very high	98.6	Very high	102 Å²	102	33.5 Å²	33.5	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.3	175.8	61.7	-8.3	0	0	0	114.2	S162 G347	S162-N164 WeakPolarHBondContact CB-OD1 3.31Å; S162-N164 PolarHBondContact O-N 3.38Å; N164-G347 PolarHBondContact O-N 2.96Å
165	E	98.4	Very high	98.6	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.075	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-14.4	178.1	-61.8	166.6	167.6	0	0	112.1	A145 P148 K151 S162 A345	A145-E165 WeakPolarHBondContact CB-O 3.38Å; P148-E165 VanDerWaalsContact CG-OE1 3.29Å; P148-E165 WeakPolarHBondContact CG-OE1 3.39Å; K151-E165 WeakPolarHBondContact CE-OE1 3.31Å; K151-E165 IonicContact NZ-OE1 3.88Å; K151-E165 PolarHBondContact NZ-OE1 3.21Å; K151-E165 IonicContact NZ-OE2 2.81Å; K151-E165 PolarHBondContact NZ-OE2 3.42Å; S162-E165 PolarHBondContact N-OE2 2.84Å; S162-E165 WeakPolarHBondContact O-CB 3.46Å; S162-E165 PolarHBondContact O-N 2.84Å; E165-A345 HydrophobicContact CB-CB 4.31Å; E165-A345 HydrophobicContact CG-CB 3.9Å
166	V	98.4	Very high	98.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.8	-173.7	61.1	0	0	0	0	111.3	F137 V143 A145 V161 G163 G347	F137-V166 HydrophobicContact CD2-CG1 3.88Å; F137-V166 HydrophobicContact CE1-CG1 4.45Å; F137-V166 HydrophobicContact CE1-CG2 4.41Å; F137-V166 HydrophobicContact CE2-CG1 3.52Å; F137-V166 HydrophobicContact CZ-CG1 3.83Å; F137-V166 HydrophobicContact CZ-CG2 4.45Å; F137-V166 WeakPolarHBondContact CZ-O 3.03Å; V143-V166 HydrophobicContact CB-CG2 3.61Å; V143-V166 HydrophobicContact CG1-CG2 3.89Å; V143-V166 HydrophobicContact CG2-CG2 3.97Å; A145-V166 HydrophobicContact CB-CB 4.3Å; V161-V166 HydrophobicContact CG2-CB 3.97Å; V161-V166 HydrophobicContact CG2-CG1 4.4Å; V161-V166 HydrophobicContact CG2-CG2 4.43Å; G163-V166 WeakPolarHBondContact O-CG1 3.46Å; V166-G347 WeakPolarHBondContact O-CA 3.34Å
167	S	98.9	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.9	179.4	160	0	0	0	0	109.1	V143 W144 K169 G347 D351	V143-S167 CarbonylContact C-O 3.58Å; V143-S167 VanDerWaalsContact CA-O 3.24Å; V143-S167 WeakPolarHBondContact CA-O 3.08Å; V143-S167 VanDerWaalsContact CB-O 3.27Å; V143-S167 WeakPolarHBondContact CB-O 3.5Å; W144-S167 PolarHBondContact N-O 3.32Å; W144-S167 PolarHBondContact NE1-OG 3.41Å; W144-S167 PolarHBondContact O-N 3Å; S167-K169 PolarHBondContact O-N 3.37Å; S167-G347 WeakPolarHBondContact CB-O 3.07Å; S167-D351 WeakPolarHBondContact CB-OD1 3.44Å; S167-D351 PolarHBondContact OG-N 3.19Å; S167-D351 PolarHBondContact OG-OD1 2.95Å
168	H	98.9	Very high	98.7	Very high	78 Å²	78	36.9 Å²	36.9	36%	0.361	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.5	167.3	-72.2	-67.8	0	0	0	109.5	F137 D141 W144	F137-H168 AromaticContact CD1-CE1 3.79Å; F137-H168 AromaticContact CD1-NE2 3.92Å; F137-H168 AromaticContact CE1-CD2 3.94Å; F137-H168 AromaticContact CE1-CE1 3.97Å; F137-H168 AromaticContact CE1-NE2 3.82Å; D141-H168 IonicContact OD2-CE1 2.68Å; W144-H168 PolarHBondContact NE1-O 2.74Å
169	K	98.8	Very high	98.7	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.065	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-67	155.2	178.3	75.9	157.8	-174.7	59	0	110.2	E142 W144 S167 K171 L173 A178	E142-K169 HydrophobicContact CB-CD 4.3Å; E142-K169 HydrophobicContact CB-CG 3.92Å; E142-K169 PolarHBondContact O-N 2.86Å; E142-K169 WeakPolarHBondContact OE2-CE 3.18Å; E142-K169 IonicContact OE2-NZ 2.78Å; E142-K169 PolarHBondContact OE2-NZ 2.68Å; W144-K169 HydrophobicContact CB-CB 4.06Å; W144-K169 HydrophobicContact CD2-CB 4.42Å; W144-K169 HydrophobicContact CG-CB 4.02Å; S167-K169 PolarHBondContact O-N 3.37Å; K169-K171 PolarHBondContact O-N 3.42Å; K169-L173 WeakPolarHBondContact CE-O 3.17Å; K169-L173 PolarHBondContact NZ-O 3.15Å; K169-A178 HydrophobicContact CB-CB 4.31Å; K169-A178 HydrophobicContact CD-CB 4.12Å
170	P	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-55.6	134.4	171.1	-19.9	30.4	0	0	0	110.4	W144 S172 L173 A354 V357 D358	W144-P170 HydrophobicContact CE3-CG 4.36Å; W144-P170 HydrophobicContact CH2-CG 3.5Å; W144-P170 HydrophobicContact CZ2-CG 3.81Å; W144-P170 HydrophobicContact CZ3-CG 3.79Å; P170-S172 VanDerWaalsContact C-N 3.25Å; P170-S172 PolarHBondContact O-N 3.18Å; P170-L173 HydrophobicContact CB-CB 4.39Å; P170-L173 HydrophobicContact CB-CD1 4.33Å; P170-L173 HydrophobicContact CB-CG 4.07Å; P170-L173 HydrophobicContact CG-CD1 4.16Å; P170-L173 HydrophobicContact CG-CG 4.44Å; P170-L173 PolarHBondContact O-N 3.04Å; P170-A354 HydrophobicContact CB-CB 4.45Å; P170-A354 HydrophobicContact CG-CB 3.89Å; P170-V357 HydrophobicContact CB-CB 4Å; P170-V357 HydrophobicContact CB-CG1 3.57Å; P170-V357 HydrophobicContact CG-CB 3.93Å; P170-V357 HydrophobicContact CG-CG1 3.78Å; P170-V357 HydrophobicContact CG-CG2 4.34Å; P170-D358 WeakPolarHBondContact CB-OD1 3.17Å
171	K	98.4	Very high	98.7	Very high	186 Å²	186	34.6 Å²	34.6	81%	0.809	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.1	-177.9	-66.7	178.8	-176.2	172.8	0	111.5	K169 L173 D358	K169-K171 PolarHBondContact O-N 3.42Å; K171-L173 VanDerWaalsContact C-N 3.25Å; K171-L173 PolarHBondContact O-N 3.44Å; K171-D358 PolarHBondContact N-OD1 2.9Å; K171-D358 PolarHBondContact N-OD2 3.21Å
172	S	98.6	Very high	98.7	Very high	70 Å²	70	34.6 Å²	34.6	49%	0.49	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.5	179.5	59.6	0	0	0	0	114.5	P170 D358	P170-S172 VanDerWaalsContact C-N 3.25Å; P170-S172 PolarHBondContact O-N 3.18Å; S172-D358 WeakPolarHBondContact CB-OD1 3.49Å; S172-D358 PolarHBondContact N-OD1 3.33Å; S172-D358 PolarHBondContact OG-OD1 3.1Å
173	L	98.8	Very high	98.7	Very high	17 Å²	17	35.4 Å²	35.4	9%	0.089	19%	0.186	C	C	.	.	S	Bend	trans	-107.7	144.2	-174.3	-62.5	-167.4	0	0	0	113.2	K169 P170 K171 Q177 A178 L181 V357 P364	K169-L173 WeakPolarHBondContact CE-O 3.17Å; K169-L173 PolarHBondContact NZ-O 3.15Å; P170-L173 HydrophobicContact CB-CB 4.39Å; P170-L173 HydrophobicContact CB-CD1 4.33Å; P170-L173 HydrophobicContact CB-CG 4.07Å; P170-L173 HydrophobicContact CG-CD1 4.16Å; P170-L173 HydrophobicContact CG-CG 4.44Å; P170-L173 PolarHBondContact O-N 3.04Å; K171-L173 VanDerWaalsContact C-N 3.25Å; K171-L173 PolarHBondContact O-N 3.44Å; L173-Q177 HydrophobicContact CB-CB 3.97Å; L173-Q177 HydrophobicContact CD1-CB 4.25Å; L173-Q177 HydrophobicContact CD2-CB 4.15Å; L173-Q177 HydrophobicContact CG-CB 4.35Å; L173-A178 HydrophobicContact CB-CB 4.21Å; L173-A178 HydrophobicContact CD1-CB 4.44Å; L173-L181 HydrophobicContact CD1-CD1 3.71Å; L173-V357 HydrophobicContact CD1-CG1 3.58Å; L173-V357 HydrophobicContact CD2-CG1 4.07Å; L173-V357 HydrophobicContact CG-CG1 3.64Å; L173-P364 HydrophobicContact CD1-CG 4.39Å; L173-P364 HydrophobicContact CD2-CG 4.03Å
174	T	98.9	Very high	98.8	Very high	77 Å²	77	34.6 Å²	34.6	47%	0.472	18%	0.177	S	C	.	.			trans	-68.4	163.1	163.1	69.3	0	0	0	0	110.8	T176 Q177 A178	T174-T176 VanDerWaalsContact C-N 3.31Å; T174-T176 PolarHBondContact O-N 3.04Å; T174-Q177 VanDerWaalsContact N-OE1 3.08Å; T174-Q177 PolarHBondContact O-N 2.97Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.34Å; T174-Q177 PolarHBondContact OG1-N 2.97Å; T174-Q177 PolarHBondContact OG1-OE1 2.97Å; T174-A178 WeakPolarHBondContact O-CB 3.43Å; T174-A178 PolarHBondContact O-N 3.2Å
175	H	98.9	Very high	98.8	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.125	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-41.5	174.2	-73.9	-61.3	0	0	0	112.8	H79 A80 S124 G125 E142 Q177 A178 A179	H79-H175 HydrophobicContact CB-CB 3.66Å; H79-H175 AromaticContact CG-CD2 3.62Å; H79-H175 AromaticContact CG-NE2 3.93Å; H79-H175 AromaticContact ND1-CD2 3.45Å; H79-H175 PolarHBondContact ND1-CD2 2.91Å; H79-H175 AromaticContact ND1-NE2 3.84Å; A80-H175 HydrophobicContact CB-CB 4.41Å; S124-H175 WeakPolarHBondContact CB-O 3.42Å; S124-H175 PolarHBondContact OG-ND1 2.98Å; G125-H175 PolarHBondContact N-ND1 2.76Å; G125-H175 PolarHBondContact O-CE1 2.77Å; E142-H175 IonicContact OE1-NE2 3.85Å; H175-Q177 VanDerWaalsContact C-N 3.32Å; H175-Q177 PolarHBondContact O-N 3.48Å; H175-A178 PolarHBondContact O-N 3.47Å; H175-A179 VanDerWaalsContact O-CB 3.26Å; H175-A179 WeakPolarHBondContact O-CB 3.47Å; H175-A179 PolarHBondContact O-N 3.39Å
176	T	98.9	Very high	98.8	Very high	28 Å²	28	29 Å²	29	17%	0.172	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-43.5	175.9	-52.6	0	0	0	0	111.6	T174 I366 I369 V392 N394	T174-T176 VanDerWaalsContact C-N 3.31Å; T174-T176 PolarHBondContact O-N 3.04Å; T176-I366 HydrophobicContact CG2-CD1 4.37Å; T176-I369 HydrophobicContact CG2-CD1 3.65Å; T176-I369 HydrophobicContact CG2-CG1 3.86Å; T176-I369 HydrophobicContact CG2-CG2 4.12Å; T176-V392 HydrophobicContact CG2-CB 4.38Å; T176-V392 HydrophobicContact CG2-CG1 3.71Å; T176-V392 WeakPolarHBondContact O-CG1 3.24Å; T176-N394 WeakPolarHBondContact CG2-OD1 3.41Å; T176-N394 PolarHBondContact OG1-OD1 2.81Å
177	Q	98.9	Very high	98.8	Very high	67 Å²	67	29.5 Å²	29.5	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-66.2	-51.1	176.1	-79.1	172.4	-31.1	0	0	112.2	L173 T174 H175 A179 S180 P364 I366	L173-Q177 HydrophobicContact CB-CB 3.97Å; L173-Q177 HydrophobicContact CD1-CB 4.25Å; L173-Q177 HydrophobicContact CD2-CB 4.15Å; L173-Q177 HydrophobicContact CG-CB 4.35Å; T174-Q177 VanDerWaalsContact N-OE1 3.08Å; T174-Q177 PolarHBondContact O-N 2.97Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.34Å; T174-Q177 PolarHBondContact OG1-N 2.97Å; T174-Q177 PolarHBondContact OG1-OE1 2.97Å; H175-Q177 VanDerWaalsContact C-N 3.32Å; H175-Q177 PolarHBondContact O-N 3.48Å; Q177-A179 VanDerWaalsContact C-N 3.34Å; Q177-A179 PolarHBondContact O-N 3.45Å; Q177-S180 WeakPolarHBondContact O-CB 3.39Å; Q177-S180 PolarHBondContact O-N 3.18Å; Q177-S180 VanDerWaalsContact O-N 3.15Å; Q177-S180 PolarHBondContact O-OG 3.17Å; Q177-P364 HydrophobicContact CB-CB 4.3Å; Q177-P364 HydrophobicContact CB-CG 3.9Å; Q177-P364 HydrophobicContact CG-CG 3.87Å; Q177-I366 HydrophobicContact CG-CD1 4.17Å
178	A	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-41.6	-178.4	0	0	0	0	0	111.7	S124 W144 K169 L173 T174 H175 S180 L181 P182	S124-A178 WeakPolarHBondContact OG-CB 3.46Å; W144-A178 HydrophobicContact CE3-CB 4.06Å; K169-A178 HydrophobicContact CB-CB 4.31Å; K169-A178 HydrophobicContact CD-CB 4.12Å; L173-A178 HydrophobicContact CB-CB 4.21Å; L173-A178 HydrophobicContact CD1-CB 4.44Å; T174-A178 WeakPolarHBondContact O-CB 3.43Å; T174-A178 PolarHBondContact O-N 3.2Å; H175-A178 PolarHBondContact O-N 3.47Å; A178-S180 PolarHBondContact O-N 2.91Å; A178-L181 PolarHBondContact O-N 3.07Å; A178-P182 WeakPolarHBondContact O-CD 3.36Å
179	A	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.3	179.2	0	0	0	0	0	113.8	A80 S82 D122 H175 Q177 L181	A80-A179 HydrophobicContact CB-CB 3.6Å; A80-A179 WeakPolarHBondContact O-CB 3.32Å; S82-A179 WeakPolarHBondContact CB-O 3.21Å; D122-A179 WeakPolarHBondContact CB-O 3.11Å; H175-A179 VanDerWaalsContact O-CB 3.26Å; H175-A179 WeakPolarHBondContact O-CB 3.47Å; H175-A179 PolarHBondContact O-N 3.39Å; Q177-A179 VanDerWaalsContact C-N 3.34Å; Q177-A179 PolarHBondContact O-N 3.45Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3.16Å
180	S	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.7	178.5	75.1	0	0	0	0	114.6	Q177 A178 P364 K390	Q177-S180 WeakPolarHBondContact O-CB 3.39Å; Q177-S180 PolarHBondContact O-N 3.18Å; Q177-S180 VanDerWaalsContact O-N 3.15Å; Q177-S180 PolarHBondContact O-OG 3.17Å; A178-S180 PolarHBondContact O-N 2.91Å; S180-P364 WeakPolarHBondContact OG-CB 3.45Å; S180-K390 WeakPolarHBondContact O-CE 3.48Å; S180-K390 WeakPolarHBondContact O-CG 3.45Å
181	L	98.9	Very high	98.8	Very high	6 Å²	6	26 Å²	26	3%	0.031	13%	0.134	C	C	.	.	S	Bend	trans	-104.2	-46.9	-164.9	-71.1	165.2	0	0	0	116	W144 L173 A178 A179 Y183 V184 A185 F220 V357 P364	W144-L181 HydrophobicContact CE3-CB 4.43Å; W144-L181 HydrophobicContact CH2-CB 4.39Å; W144-L181 HydrophobicContact CH2-CD1 4.33Å; W144-L181 HydrophobicContact CZ3-CB 3.67Å; W144-L181 HydrophobicContact CZ3-CD1 3.78Å; W144-L181 HydrophobicContact CZ3-CG 4.37Å; L173-L181 HydrophobicContact CD1-CD1 3.71Å; A178-L181 PolarHBondContact O-N 3.07Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3.16Å; L181-Y183 PolarHBondContact O-N 3.18Å; L181-V184 VanDerWaalsContact O-CG2 3.23Å; L181-V184 WeakPolarHBondContact O-CG2 3.18Å; L181-V184 PolarHBondContact O-N 3Å; L181-A185 WeakPolarHBondContact O-CB 3.15Å; L181-A185 PolarHBondContact O-N 3.1Å; L181-F220 HydrophobicContact CD2-CD2 4.04Å; L181-V357 HydrophobicContact CD1-CG2 4.19Å; L181-P364 HydrophobicContact CD1-CB 4.37Å
182	P	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-51.8	-52.5	-157.4	-30.9	33	0	0	0	115.8	D122 W144 A145 A146 A178 L186 L350	D122-P182 WeakPolarHBondContact OD1-CB 3.41Å; D122-P182 WeakPolarHBondContact OD1-CD 3.37Å; W144-P182 HydrophobicContact CB-CG 4.16Å; W144-P182 HydrophobicContact CD2-CG 4.09Å; W144-P182 HydrophobicContact CE3-CG 3.79Å; W144-P182 HydrophobicContact CG-CG 4.29Å; A145-P182 WeakPolarHBondContact O-CB 3.5Å; A146-P182 HydrophobicContact CB-CB 3.77Å; A178-P182 WeakPolarHBondContact O-CD 3.36Å; P182-L186 VanDerWaalsContact O-CB 3.29Å; P182-L186 WeakPolarHBondContact O-CB 3.34Å; P182-L186 WeakPolarHBondContact O-CG 3.25Å; P182-L186 PolarHBondContact O-N 3.34Å; P182-L350 HydrophobicContact CB-CD1 4.32Å; P182-L350 HydrophobicContact CB-CD2 3.95Å
183	Y	98.9	Very high	98.8	Very high	29 Å²	29	15.2 Å²	15.2	11%	0.114	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-45.7	-175.3	-169.4	-92	0	0	0	111.4	N84 I86 R121 D122 A146 L181 T187 F343	N84-Y183 HydrophobicContact CB-CD1 4.39Å; I86-Y183 HydrophobicContact CG2-CE1 3.92Å; I86-Y183 HydrophobicContact CG2-CE2 4.47Å; R121-Y183 HydrophobicContact CB-CD2 3.44Å; R121-Y183 VanDerWaalsContact CB-CD2 3.44Å; R121-Y183 HydrophobicContact CB-CE2 3.92Å; R121-Y183 HydrophobicContact CB-CG 3.98Å; R121-Y183 HydrophobicContact CG-CD2 3.97Å; R121-Y183 HydrophobicContact CG-CE2 3.93Å; D122-Y183 WeakPolarHBondContact OD1-CB 3.37Å; D122-Y183 PolarHBondContact OD1-N 2.68Å; A146-Y183 HydrophobicContact CB-CD2 4.45Å; L181-Y183 PolarHBondContact O-N 3.18Å; Y183-T187 VanDerWaalsContact O-CB 3.27Å; Y183-T187 WeakPolarHBondContact O-CB 3.35Å; Y183-T187 PolarHBondContact O-N 3.16Å; Y183-T187 PolarHBondContact O-OG1 2.88Å; Y183-F343 HydrophobicContact CD2-CD1 4.28Å; Y183-F343 AromaticContact CD2-CD2 3.6Å; Y183-F343 HydrophobicContact CD2-CD2 3.6Å; Y183-F343 HydrophobicContact CD2-CE1 4.23Å; Y183-F343 AromaticContact CD2-CE2 3.55Å; Y183-F343 HydrophobicContact CD2-CE2 3.55Å; Y183-F343 AromaticContact CD2-CG 3.97Å; Y183-F343 HydrophobicContact CD2-CG 3.97Å; Y183-F343 AromaticContact CD2-CZ 3.87Å; Y183-F343 HydrophobicContact CD2-CZ 3.87Å; Y183-F343 HydrophobicContact CE2-CB 4.13Å; Y183-F343 AromaticContact CE2-CD1 3.63Å; Y183-F343 HydrophobicContact CE2-CD1 3.63Å; Y183-F343 AromaticContact CE2-CD2 3.62Å; Y183-F343 HydrophobicContact CE2-CD2 3.62Å; Y183-F343 AromaticContact CE2-CE1 3.92Å; Y183-F343 HydrophobicContact CE2-CE1 3.92Å; Y183-F343 AromaticContact CE2-CE2 3.91Å; Y183-F343 HydrophobicContact CE2-CE2 3.91Å; Y183-F343 AromaticContact CE2-CG 3.47Å; Y183-F343 HydrophobicContact CE2-CG 3.47Å; Y183-F343 VanDerWaalsContact CE2-CG 3.47Å; Y183-F343 HydrophobicContact CE2-CZ 4.04Å; Y183-F343 HydrophobicContact CG-CD2 4.15Å; Y183-F343 HydrophobicContact CG-CE2 4.25Å; Y183-F343 AromaticContact CZ-CG 3.85Å
184	V	98.8	Very high	98.8	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-72.9	-35.3	-179.6	-62.7	0	0	0	0	111.9	L181 T187 A188 V217 K390	L181-V184 VanDerWaalsContact O-CG2 3.23Å; L181-V184 WeakPolarHBondContact O-CG2 3.18Å; L181-V184 PolarHBondContact O-N 3Å; V184-T187 PolarHBondContact O-N 3.31Å; V184-A188 WeakPolarHBondContact O-CB 3.24Å; V184-A188 PolarHBondContact O-N 3.29Å; V184-V217 HydrophobicContact CB-CG2 4.02Å; V184-V217 HydrophobicContact CG1-CG2 4.13Å; V184-K390 HydrophobicContact CG1-CD 3.92Å; V184-K390 HydrophobicContact CG2-CD 4.12Å
185	A	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-48.7	177.3	0	0	0	0	0	110.9	L181 T187 A188 W189 F220 I353	L181-A185 WeakPolarHBondContact O-CB 3.15Å; L181-A185 PolarHBondContact O-N 3.1Å; A185-T187 VanDerWaalsContact C-N 3.29Å; A185-T187 PolarHBondContact O-N 2.69Å; A185-A188 PolarHBondContact O-N 2.54Å; A185-W189 VanDerWaalsContact O-CB 3.25Å; A185-W189 WeakPolarHBondContact O-CB 3.23Å; A185-W189 PolarHBondContact O-N 2.86Å; A185-F220 HydrophobicContact CB-CD1 4.39Å; A185-F220 HydrophobicContact CB-CD2 3.68Å; A185-F220 HydrophobicContact CB-CE1 4.11Å; A185-F220 HydrophobicContact CB-CE2 3.35Å; A185-F220 HydrophobicContact CB-CG 4.19Å; A185-F220 HydrophobicContact CB-CZ 3.59Å; A185-I353 HydrophobicContact CB-CD1 3.92Å; A185-I353 HydrophobicContact CB-CG2 4.24Å
186	L	98.9	Very high	98.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-30.6	175.6	-74.2	170.7	0	0	0	112.9	A146 P182 S190 F343 Y349 L350 I353	A146-L186 HydrophobicContact CB-CD1 3.68Å; P182-L186 VanDerWaalsContact O-CB 3.29Å; P182-L186 WeakPolarHBondContact O-CB 3.34Å; P182-L186 WeakPolarHBondContact O-CG 3.25Å; P182-L186 PolarHBondContact O-N 3.34Å; L186-S190 VanDerWaalsContact O-CB 3.23Å; L186-S190 WeakPolarHBondContact O-CB 3.29Å; L186-S190 PolarHBondContact O-N 2.93Å; L186-F343 HydrophobicContact CB-CD2 4.09Å; L186-F343 HydrophobicContact CB-CE2 3.89Å; L186-F343 HydrophobicContact CD1-CE2 3.97Å; L186-Y349 HydrophobicContact CD2-CD2 4.3Å; L186-Y349 HydrophobicContact CD2-CG 4.49Å; L186-L350 HydrophobicContact CD1-CD1 4Å; L186-L350 HydrophobicContact CD1-CD2 3.97Å; L186-L350 HydrophobicContact CD1-CG 3.82Å; L186-L350 HydrophobicContact CD2-CD2 4.36Å; L186-L350 HydrophobicContact CD2-CG 4.18Å; L186-L350 HydrophobicContact CG-CD2 3.88Å; L186-L350 HydrophobicContact CG-CG 4.06Å; L186-I353 HydrophobicContact CD2-CD1 4.34Å
187	T	98.9	Very high	98.7	Very high	12 Å²	12	16.8 Å²	16.8	7%	0.074	10%	0.095	C	C	.	.	H	α-helix	trans	-66	-47.9	172.6	-60.5	0	0	0	0	111	Y183 V184 A185 A191 V217 L300	Y183-T187 VanDerWaalsContact O-CB 3.27Å; Y183-T187 WeakPolarHBondContact O-CB 3.35Å; Y183-T187 PolarHBondContact O-N 3.16Å; Y183-T187 PolarHBondContact O-OG1 2.88Å; V184-T187 PolarHBondContact O-N 3.31Å; A185-T187 VanDerWaalsContact C-N 3.29Å; A185-T187 PolarHBondContact O-N 2.69Å; T187-A191 PolarHBondContact O-N 3.47Å; T187-A191 VanDerWaalsContact O-N 3.12Å; T187-V217 HydrophobicContact CG2-CG2 4.11Å; T187-L300 HydrophobicContact CG2-CD1 3.66Å; T187-L300 HydrophobicContact CG2-CD2 3.47Å; T187-L300 VanDerWaalsContact CG2-CD2 3.47Å; T187-L300 HydrophobicContact CG2-CG 4.16Å
188	A	98.8	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-44.2	175.1	0	0	0	0	0	111.7	V184 A185 S190 A191 I192 V217 F220	V184-A188 WeakPolarHBondContact O-CB 3.24Å; V184-A188 PolarHBondContact O-N 3.29Å; A185-A188 PolarHBondContact O-N 2.54Å; A188-S190 PolarHBondContact O-N 3.03Å; A188-A191 PolarHBondContact O-N 3.2Å; A188-I192 HydrophobicContact CB-CD1 4.37Å; A188-I192 VanDerWaalsContact O-CB 3.3Å; A188-I192 WeakPolarHBondContact O-CB 3.46Å; A188-I192 VanDerWaalsContact O-CG1 3.28Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 3.24Å; A188-V217 HydrophobicContact CB-CG1 3.94Å; A188-F220 HydrophobicContact CB-CD1 3.41Å; A188-F220 VanDerWaalsContact CB-CD1 3.41Å; A188-F220 HydrophobicContact CB-CE1 3.84Å; A188-F220 HydrophobicContact CB-CG 4.47Å
189	W	98.8	Very high	98.7	Very high	13 Å²	13	16.1 Å²	16.1	5%	0.049	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-42.7	179.8	-162.3	-95.5	0	0	0	111.8	A185 N193 K194 V224 W228 Y349 D352 I353 L356	A185-W189 VanDerWaalsContact O-CB 3.25Å; A185-W189 WeakPolarHBondContact O-CB 3.23Å; A185-W189 PolarHBondContact O-N 2.86Å; W189-N193 HydrophobicContact CD2-CB 4.43Å; W189-N193 HydrophobicContact CG-CB 4.35Å; W189-N193 WeakPolarHBondContact O-CA 3.15Å; W189-N193 VanDerWaalsContact O-CB 3.23Å; W189-N193 WeakPolarHBondContact O-CB 3.46Å; W189-N193 PolarHBondContact O-N 3.17Å; W189-K194 PolarHBondContact O-N 3.09Å; W189-V224 HydrophobicContact CE3-CG2 4.29Å; W189-V224 HydrophobicContact CZ3-CG2 3.94Å; W189-W228 HydrophobicContact CE3-CH2 4.33Å; W189-W228 HydrophobicContact CE3-CZ2 4.47Å; W189-W228 HydrophobicContact CH2-CH2 4.09Å; W189-W228 AromaticContact CH2-CZ2 3.61Å; W189-W228 HydrophobicContact CH2-CZ2 3.61Å; W189-W228 HydrophobicContact CZ2-CZ2 4.34Å; W189-W228 AromaticContact CZ3-CH2 3.96Å; W189-W228 HydrophobicContact CZ3-CH2 3.96Å; W189-W228 AromaticContact CZ3-CZ2 3.67Å; W189-W228 HydrophobicContact CZ3-CZ2 3.67Å; W189-Y349 AromaticContact CD1-CD2 3.96Å; W189-Y349 AromaticContact CD1-CG 3.76Å; W189-Y349 AromaticContact NE1-CD1 3.79Å; W189-Y349 AromaticContact NE1-CG 3.71Å; W189-D352 HydrophobicContact CH2-CB 3.96Å; W189-D352 HydrophobicContact CZ2-CB 3.82Å; W189-I353 HydrophobicContact CB-CD1 4.37Å; W189-I353 HydrophobicContact CD2-CD1 4.27Å; W189-I353 HydrophobicContact CD2-CG1 4.23Å; W189-I353 HydrophobicContact CE3-CD1 4.13Å; W189-I353 HydrophobicContact CE3-CG1 3.74Å; W189-I353 HydrophobicContact CG-CD1 4.41Å; W189-I353 HydrophobicContact CH2-CG1 4.47Å; W189-I353 HydrophobicContact CZ3-CG1 3.88Å; W189-L356 HydrophobicContact CH2-CD1 4.05Å; W189-L356 HydrophobicContact CZ3-CD1 3.77Å
190	S	98.8	Very high	98.7	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.035	12%	0.119	C	C	.	.	I	π-helix	trans	-58	-49.8	172.4	178.8	0	0	0	0	111.3	L186 A188 K194 V195 F342	L186-S190 VanDerWaalsContact O-CB 3.23Å; L186-S190 WeakPolarHBondContact O-CB 3.29Å; L186-S190 PolarHBondContact O-N 2.93Å; A188-S190 PolarHBondContact O-N 3.03Å; S190-K194 WeakPolarHBondContact O-CB 3.23Å; S190-K194 PolarHBondContact O-N 3.45Å; S190-V195 WeakPolarHBondContact O-CG2 3.41Å; S190-V195 PolarHBondContact O-N 2.88Å; S190-F342 WeakPolarHBondContact CB-O 3.2Å; S190-F342 PolarHBondContact OG-O 3.01Å
191	A	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-65.9	-44	-178.6	0	0	0	0	0	113.4	T187 A188 G196 L274 V298 L300 A341	T187-A191 PolarHBondContact O-N 3.47Å; T187-A191 VanDerWaalsContact O-N 3.12Å; A188-A191 PolarHBondContact O-N 3.2Å; A191-G196 WeakPolarHBondContact O-CA 3.38Å; A191-G196 PolarHBondContact O-N 3.33Å; A191-L274 HydrophobicContact CB-CD1 3.58Å; A191-V298 HydrophobicContact CB-CG1 3.81Å; A191-L300 HydrophobicContact CB-CD1 4.34Å; A191-L300 HydrophobicContact CB-CD2 4.08Å; A191-L300 HydrophobicContact CB-CG 4.24Å; A191-A341 HydrophobicContact CB-CB 3.67Å
192	I	98.8	Very high	98.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.169	C	C	.	.	I	π-helix	trans	-82.3	-55.1	-173.6	-65.1	171.2	0	0	0	110.7	A188 G196 G197 L198 A221 V224 M225 W228 F272 L274	A188-I192 HydrophobicContact CB-CD1 4.37Å; A188-I192 VanDerWaalsContact O-CB 3.3Å; A188-I192 WeakPolarHBondContact O-CB 3.46Å; A188-I192 VanDerWaalsContact O-CG1 3.28Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 3.24Å; I192-G196 CarbonylContact O-C 3.08Å; I192-G196 VanDerWaalsContact O-C 3.28Å; I192-G196 WeakPolarHBondContact O-CA 3.23Å; I192-G196 PolarHBondContact O-N 3.24Å; I192-G197 PolarHBondContact O-N 2.88Å; I192-L198 HydrophobicContact CG2-CB 3.82Å; I192-L198 HydrophobicContact CG2-CD1 4.43Å; I192-L198 WeakPolarHBondContact O-CB 3.18Å; I192-L198 PolarHBondContact O-N 2.92Å; I192-A221 HydrophobicContact CD1-CB 3.99Å; I192-V224 HydrophobicContact CD1-CG1 3.77Å; I192-M225 HydrophobicContact CB-CE 4.28Å; I192-M225 HydrophobicContact CD1-CE 3.89Å; I192-M225 HydrophobicContact CD1-CG 4.24Å; I192-M225 HydrophobicContact CD1-SD 4.29Å; I192-M225 HydrophobicContact CG1-CE 3.79Å; I192-M225 HydrophobicContact CG2-CE 3.58Å; I192-M225 HydrophobicContact CG2-SD 3.74Å; I192-W228 HydrophobicContact CG2-CZ3 3.77Å; I192-F272 HydrophobicContact CG1-CE1 4.13Å; I192-F272 HydrophobicContact CG1-CZ 4.38Å; I192-L274 HydrophobicContact CD1-CD2 4.4Å; I192-L274 HydrophobicContact CG1-CD2 4.47Å
193	N	98.6	Very high	98.6	Very high	30 Å²	30	31.7 Å²	31.7	16%	0.16	17%	0.169	C	C	.	.	I	π-helix	trans	-84.4	-50.9	-171.7	-174.8	-95.3	0	0	0	112.7	W189 G197 L198 W228	W189-N193 HydrophobicContact CD2-CB 4.43Å; W189-N193 HydrophobicContact CG-CB 4.35Å; W189-N193 WeakPolarHBondContact O-CA 3.15Å; W189-N193 VanDerWaalsContact O-CB 3.23Å; W189-N193 WeakPolarHBondContact O-CB 3.46Å; W189-N193 PolarHBondContact O-N 3.17Å; N193-G197 VanDerWaalsContact O-CA 3.24Å; N193-G197 WeakPolarHBondContact O-CA 3.4Å; N193-G197 PolarHBondContact O-N 3.24Å; N193-G197 VanDerWaalsContact O-N 3.14Å; N193-L198 WeakPolarHBondContact CA-O 3.27Å; N193-L198 PolarHBondContact ND2-O 3.3Å; N193-W228 HydrophobicContact CB-CH2 4.32Å
194	K	98.3	Very high	98.5	Very high	84 Å²	84	33.9 Å²	33.9	37%	0.365	19%	0.193	S	C	.	.	I	π-helix	trans	-79.7	-46.9	-172.2	-54.4	-61.4	160.2	-178.4	0	112.6	W189 S190 M344 Y349	W189-K194 PolarHBondContact O-N 3.09Å; S190-K194 WeakPolarHBondContact O-CB 3.23Å; S190-K194 PolarHBondContact O-N 3.45Å; K194-M344 HydrophobicContact CB-CE 4.19Å; K194-M344 HydrophobicContact CG-CE 4.04Å; K194-Y349 HydrophobicContact CD-CE2 4.2Å; K194-Y349 WeakPolarHBondContact CE-OH 3.17Å; K194-Y349 HydrophobicContact CG-CE2 4.36Å; K194-Y349 PolarHBondContact NZ-OH 3.37Å; K194-Y349 VanDerWaalsContact NZ-OH 3.09Å
195	V	98.4	Very high	98.3	Very high	46 Å²	46	36.5 Å²	36.5	28%	0.279	22%	0.221	S	C	.	.	I	π-helix	trans	-88.1	-43.1	-178.9	177	0	0	0	0	111.3	S190 V298 R339 A341	S190-V195 WeakPolarHBondContact O-CG2 3.41Å; S190-V195 PolarHBondContact O-N 2.88Å; V195-V298 HydrophobicContact CB-CG1 4.42Å; V195-V298 HydrophobicContact CG1-CG1 3.96Å; V195-V298 HydrophobicContact CG1-CG2 4.04Å; V195-R339 HydrophobicContact CG1-CB 3.36Å; V195-R339 HydrophobicContact CG1-CG 3.88Å; V195-A341 HydrophobicContact CB-CB 4.19Å; V195-A341 HydrophobicContact CG1-CB 4.41Å; V195-A341 HydrophobicContact CG2-CB 3.87Å
196	G	98.2	Very high	98.3	Very high	13 Å²	13	39.2 Å²	39.2	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17	179.5	0	0	0	0	0	115.1	A191 I192 L198	A191-G196 WeakPolarHBondContact O-CA 3.38Å; A191-G196 PolarHBondContact O-N 3.33Å; I192-G196 CarbonylContact O-C 3.08Å; I192-G196 VanDerWaalsContact O-C 3.28Å; I192-G196 WeakPolarHBondContact O-CA 3.23Å; I192-G196 PolarHBondContact O-N 3.24Å; G196-L198 PolarHBondContact O-N 2.95Å
197	G	98.4	Very high	98.3	Very high	38 Å²	38	40.7 Å²	40.7	39%	0.392	24%	0.239	S	C	.	.			trans	69	15.4	-179	0	0	0	0	0	114.4	I192 N193 N202	I192-G197 PolarHBondContact O-N 2.88Å; N193-G197 VanDerWaalsContact O-CA 3.24Å; N193-G197 WeakPolarHBondContact O-CA 3.4Å; N193-G197 PolarHBondContact O-N 3.24Å; N193-G197 VanDerWaalsContact O-N 3.14Å; G197-N202 PolarHBondContact O-ND2 2.82Å
198	L	98.6	Very high	98.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	24%	0.235	C	C	.	.			trans	-91.6	135.8	-176.7	-66.7	-175.7	0	0	0	112.2	I192 N193 G196 N202 K206 M225 W228 F272	I192-L198 HydrophobicContact CG2-CB 3.82Å; I192-L198 HydrophobicContact CG2-CD1 4.43Å; I192-L198 WeakPolarHBondContact O-CB 3.18Å; I192-L198 PolarHBondContact O-N 2.92Å; N193-L198 WeakPolarHBondContact CA-O 3.27Å; N193-L198 PolarHBondContact ND2-O 3.3Å; G196-L198 PolarHBondContact O-N 2.95Å; L198-N202 WeakPolarHBondContact CA-OD1 3.48Å; L198-K206 HydrophobicContact CD2-CD 3.77Å; L198-K206 VanDerWaalsContact CD2-NZ 3.29Å; L198-M225 HydrophobicContact CD1-CE 3.65Å; L198-M225 HydrophobicContact CD1-SD 4.28Å; L198-W228 VanDerWaalsContact O-CZ3 3.27Å; L198-W228 WeakPolarHBondContact O-CZ3 3.47Å; L198-F272 HydrophobicContact CD1-CB 3.78Å; L198-F272 HydrophobicContact CD1-CD1 3.88Å; L198-F272 HydrophobicContact CD1-CD2 3.69Å; L198-F272 HydrophobicContact CD1-CE1 4.35Å; L198-F272 HydrophobicContact CD1-CE2 4.21Å; L198-F272 HydrophobicContact CD1-CG 3.51Å; L198-F272 HydrophobicContact CG-CD2 4.37Å
199	N	98.5	Very high	98.3	Very high	45 Å²	45	40.1 Å²	40.1	24%	0.241	24%	0.235	C	C	.	.			trans	-149.6	175.9	-179.3	56.2	52	0	0	0	111.5	K201 N202 C203	N199-K201 PolarHBondContact O-N 3.02Å; N199-K201 VanDerWaalsContact O-N 3.09Å; N199-K201 WeakPolarHBondContact OD1-CB 3.48Å; N199-K201 PolarHBondContact OD1-N 3.31Å; N199-N202 PolarHBondContact N-OD1 3.3Å; N199-N202 PolarHBondContact ND2-ND2 2.85Å; N199-N202 PolarHBondContact O-N 3.37Å; N199-N202 VanDerWaalsContact O-N 3.14Å; N199-N202 PolarHBondContact O-OD1 3.05Å; N199-N202 PolarHBondContact OD1-N 3.26Å; N199-C203 WeakPolarHBondContact O-CB 3.23Å; N199-C203 PolarHBondContact O-N 2.98Å; N199-C203 PolarHBondContact O-SG 2.94Å
200	D	97.9	Very high	98.3	Very high	100 Å²	100	39.6 Å²	39.6	54%	0.535	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-29.4	175.9	63.8	-36.7	0	0	0	114.1	W228	D200-W228 VanDerWaalsContact CA-CD1 3.48Å; D200-W228 HydrophobicContact CB-CG 4.22Å
201	K	98.3	Very high	98.3	Very high	178 Å²	178	39.5 Å²	39.5	77%	0.774	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.5	-176.3	-61	174.4	-172.7	178.6	0	114.5	N199	N199-K201 PolarHBondContact O-N 3.02Å; N199-K201 VanDerWaalsContact O-N 3.09Å; N199-K201 WeakPolarHBondContact OD1-CB 3.48Å; N199-K201 PolarHBondContact OD1-N 3.31Å
202	N	98.4	Very high	98.3	Very high	55 Å²	55	40.6 Å²	40.6	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	6.8	-169.5	77.5	18.2	0	0	0	115	G197 L198 N199 K206	G197-N202 PolarHBondContact O-ND2 2.82Å; L198-N202 WeakPolarHBondContact CA-OD1 3.48Å; N199-N202 PolarHBondContact N-OD1 3.3Å; N199-N202 PolarHBondContact ND2-ND2 2.85Å; N199-N202 PolarHBondContact O-N 3.37Å; N199-N202 VanDerWaalsContact O-N 3.14Å; N199-N202 PolarHBondContact O-OD1 3.05Å; N199-N202 PolarHBondContact OD1-N 3.26Å; N202-K206 VanDerWaalsContact O-CD 3.31Å; N202-K206 WeakPolarHBondContact O-CD 3.3Å; N202-K206 WeakPolarHBondContact O-CE 3.49Å; N202-K206 PolarHBondContact O-NZ 3.14Å
203	C	98.1	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.			trans	-94.2	-19.5	-178.7	-79.3	0	0	0	0	114.7	N199 G205 K206 W228 A230	N199-C203 WeakPolarHBondContact O-CB 3.23Å; N199-C203 PolarHBondContact O-N 2.98Å; N199-C203 PolarHBondContact O-SG 2.94Å; C203-G205 PolarHBondContact O-N 2.88Å; C203-G205 VanDerWaalsContact O-N 3.1Å; C203-K206 WeakPolarHBondContact O-CB 3.31Å; C203-K206 PolarHBondContact O-N 2.92Å; C203-W228 CarbonylContact C-O 3.41Å; C203-W228 HydrophobicContact CB-CB 3.57Å; C203-W228 WeakPolarHBondContact CB-O 3.48Å; C203-A230 HydrophobicContact CB-CB 4.37Å
204	A	98.1	Very high	98.2	Very high	75 Å²	75	39.8 Å²	39.8	62%	0.62	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	118.6	-177	0	0	0	0	0	111.8	K206 W228 D229	A204-K206 VanDerWaalsContact C-N 3.25Å; A204-K206 PolarHBondContact O-N 3.19Å; A204-W228 PolarHBondContact N-O 3.23Å; A204-D229 HydrophobicContact CB-CB 4.35Å
205	G	93.6	Very high	98.2	Very high	62 Å²	62	36.7 Å²	36.7	64%	0.639	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-1.5	179	0	0	0	0	0	116.2	C203 D229	C203-G205 PolarHBondContact O-N 2.88Å; C203-G205 VanDerWaalsContact O-N 3.1Å; G205-D229 PolarHBondContact N-O 3.14Å
206	K	98.6	Very high	98.2	Very high	58 Å²	58	35.1 Å²	35.1	25%	0.252	23%	0.225	S	C	.	.			trans	-69.2	142.8	173.3	-74.5	-169.7	176.9	150.5	0	111.1	L198 N202 C203 A204 H231 D271	L198-K206 HydrophobicContact CD2-CD 3.77Å; L198-K206 VanDerWaalsContact CD2-NZ 3.29Å; N202-K206 VanDerWaalsContact O-CD 3.31Å; N202-K206 WeakPolarHBondContact O-CD 3.3Å; N202-K206 WeakPolarHBondContact O-CE 3.49Å; N202-K206 PolarHBondContact O-NZ 3.14Å; C203-K206 WeakPolarHBondContact O-CB 3.31Å; C203-K206 PolarHBondContact O-N 2.92Å; A204-K206 VanDerWaalsContact C-N 3.25Å; A204-K206 PolarHBondContact O-N 3.19Å; K206-H231 PolarHBondContact O-N 3.4Å; K206-D271 HydrophobicContact CB-CB 4.09Å; K206-D271 HydrophobicContact CD-CB 4.22Å; K206-D271 HydrophobicContact CG-CB 4.17Å
207	R	98.9	Very high	98.2	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.6	177.2	-63.2	-176	64.3	73.1	-0.3	110.2	H231 D251 K268 F270 D271 F272	R207-H231 HydrophobicContact CG-CB 4.44Å; R207-H231 PolarHBondContact NH1-CE1 2.96Å; R207-H231 PolarHBondContact NH1-ND1 2.79Å; R207-H231 PolarHBondContact NH1-NE2 2.54Å; R207-D251 IonicContact NH2-OD2 3.85Å; R207-K268 PolarHBondContact NE-O 3.13Å; R207-K268 VanDerWaalsContact NE-O 3.08Å; R207-F270 HydrophobicContact CB-CD1 4Å; R207-D271 PolarHBondContact N-OD2 2.68Å; R207-D271 PolarHBondContact O-N 2.81Å; R207-F272 PolarHBondContact O-N 3.21Å
208	V	98.9	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.4	-176.4	173.9	0	0	0	0	109.6	I210 M225 A230 H231 T233 F272	V208-I210 HydrophobicContact CG1-CD1 4.45Å; V208-I210 HydrophobicContact CG1-CG1 3.91Å; V208-M225 HydrophobicContact CB-CE 4.34Å; V208-M225 HydrophobicContact CG1-CE 3.64Å; V208-M225 HydrophobicContact CG1-CG 4.19Å; V208-M225 HydrophobicContact CG1-SD 4.48Å; V208-M225 HydrophobicContact CG2-CE 3.76Å; V208-M225 HydrophobicContact CG2-CG 4.46Å; V208-M225 HydrophobicContact CG2-SD 4.03Å; V208-A230 HydrophobicContact CG2-CB 3.92Å; V208-H231 PolarHBondContact N-O 3.15Å; V208-T233 PolarHBondContact O-N 3.11Å; V208-F272 WeakPolarHBondContact CA-O 3.19Å; V208-F272 HydrophobicContact CG1-CD1 4.13Å; V208-F272 HydrophobicContact CG2-CB 4.32Å
209	L	98.9	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.5	168.4	-175.6	64.5	0	0	0	109.9	L211 T233 V235 L264 F270 F272 I273 L274	L209-L211 HydrophobicContact CD1-CD2 4.46Å; L209-L211 HydrophobicContact CD2-CD2 3.89Å; L209-L211 HydrophobicContact CG-CD2 3.95Å; L209-T233 WeakPolarHBondContact CA-O 3.46Å; L209-T233 HydrophobicContact CD1-CG2 3.6Å; L209-V235 HydrophobicContact CD1-CG2 3.7Å; L209-L264 HydrophobicContact CD1-CD2 3.97Å; L209-L264 HydrophobicContact CD2-CD2 4.14Å; L209-F270 HydrophobicContact CB-CD1 3.81Å; L209-F270 HydrophobicContact CB-CD2 4.09Å; L209-F270 HydrophobicContact CB-CE1 3.97Å; L209-F270 HydrophobicContact CB-CE2 4.25Å; L209-F270 HydrophobicContact CB-CG 3.88Å; L209-F270 HydrophobicContact CB-CZ 4.19Å; L209-F270 HydrophobicContact CD1-CE1 4.31Å; L209-F270 HydrophobicContact CD1-CE2 4.36Å; L209-F270 HydrophobicContact CD1-CZ 3.99Å; L209-F270 HydrophobicContact CD2-CD2 4.14Å; L209-F270 HydrophobicContact CD2-CE2 3.98Å; L209-F270 HydrophobicContact CD2-CZ 4.43Å; L209-F270 HydrophobicContact CG-CE2 4.44Å; L209-F270 HydrophobicContact CG-CZ 4.44Å; L209-F272 PolarHBondContact N-O 2.95Å; L209-I273 HydrophobicContact CB-CG1 3.99Å; L209-I273 HydrophobicContact CB-CG2 4.41Å; L209-I273 HydrophobicContact CD2-CD1 4.06Å; L209-I273 HydrophobicContact CD2-CG1 4.25Å; L209-I273 HydrophobicContact CD2-CG2 4.36Å; L209-I273 WeakPolarHBondContact O-CA 3.31Å; L209-L274 PolarHBondContact O-N 2.9Å
210	I	98.9	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.4	175.7	-55.3	176.1	0	0	0	108.7	V208 A213 A221 I222 V232 T233 V235 L274	V208-I210 HydrophobicContact CG1-CD1 4.45Å; V208-I210 HydrophobicContact CG1-CG1 3.91Å; I210-A213 HydrophobicContact CB-CB 4.25Å; I210-A213 HydrophobicContact CG2-CB 3.93Å; I210-A221 HydrophobicContact CD1-CB 3.88Å; I210-I222 HydrophobicContact CD1-CB 4.42Å; I210-I222 HydrophobicContact CD1-CG1 3.79Å; I210-V232 HydrophobicContact CD1-CG1 3.73Å; I210-V232 HydrophobicContact CG1-CG1 4.3Å; I210-T233 PolarHBondContact N-O 3.45Å; I210-V235 PolarHBondContact O-N 3.18Å; I210-L274 HydrophobicContact CG2-CD2 4.48Å
211	L	98.8	Very high	98.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.2	172.4	-52.1	179.9	0	0	0	109.2	L209 V235 I273 L274 D275 N276 V277 T281 W284 A285	L209-L211 HydrophobicContact CD1-CD2 4.46Å; L209-L211 HydrophobicContact CD2-CD2 3.89Å; L209-L211 HydrophobicContact CG-CD2 3.95Å; L211-V235 HydrophobicContact CD2-CB 3.92Å; L211-V235 HydrophobicContact CD2-CG1 4.44Å; L211-V235 HydrophobicContact CD2-CG2 3.62Å; L211-I273 HydrophobicContact CD1-CG2 4.23Å; L211-I273 HydrophobicContact CG-CG2 4.3Å; L211-L274 PolarHBondContact N-O 3.35Å; L211-D275 HydrophobicContact CD1-CB 4.25Å; L211-N276 VanDerWaalsContact O-CB 3.31Å; L211-N276 WeakPolarHBondContact O-CB 3.32Å; L211-N276 PolarHBondContact O-N 2.78Å; L211-N276 VanDerWaalsContact O-N 3.17Å; L211-N276 PolarHBondContact O-ND2 3.33Å; L211-V277 HydrophobicContact CB-CG2 4.28Å; L211-T281 HydrophobicContact CD1-CG2 4Å; L211-W284 HydrophobicContact CD1-CH2 4.25Å; L211-W284 HydrophobicContact CD2-CH2 3.94Å; L211-A285 HydrophobicContact CD1-CB 3.76Å
212	G	98	Very high	98.3	Very high	24 Å²	24	18.5 Å²	18.5	25%	0.247	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	43	-175.4	0	0	0	0	0	112.8	S214 V235	G212-S214 VanDerWaalsContact C-N 3.33Å; G212-S214 PolarHBondContact O-N 2.93Å; G212-V235 PolarHBondContact N-O 3.26Å
213	A	98.5	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.3	-166.5	0	0	0	0	0	115.9	I210 G218 T219 I222 A234 V235 C236 V244	I210-A213 HydrophobicContact CB-CB 4.25Å; I210-A213 HydrophobicContact CG2-CB 3.93Å; A213-G218 CarbonylContact O-C 3.55Å; A213-G218 WeakPolarHBondContact O-CA 3.42Å; A213-T219 PolarHBondContact O-N 3Å; A213-I222 HydrophobicContact CB-CD1 4.17Å; A213-A234 HydrophobicContact CB-CB 3.59Å; A213-V235 PolarHBondContact N-O 3.4Å; A213-C236 HydrophobicContact CB-CB 4.5Å; A213-V244 HydrophobicContact CB-CG1 4.26Å
214	S	98.2	Very high	98.4	Very high	14 Å²	14	16.2 Å²	16.2	10%	0.098	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.3	-173.6	64.5	0	0	0	0	115.4	G212 A240 R388 G389	G212-S214 VanDerWaalsContact C-N 3.33Å; G212-S214 PolarHBondContact O-N 2.93Å; S214-A240 VanDerWaalsContact CB-CB 3.46Å; S214-R388 WeakPolarHBondContact O-CA 3.21Å; S214-G389 PolarHBondContact O-N 2.78Å
215	G	97.9	Very high	98.4	Very high	19 Å²	19	12.7 Å²	12.7	20%	0.196	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-83	-174.1	178.8	0	0	0	0	0	113.2	V217 G218 T219	G215-V217 PolarHBondContact O-N 3.43Å; G215-G218 PolarHBondContact O-N 2.64Å; G215-T219 WeakPolarHBondContact O-CB 3.26Å; G215-T219 VanDerWaalsContact O-CG2 3.28Å; G215-T219 WeakPolarHBondContact O-CG2 3.46Å; G215-T219 PolarHBondContact O-N 3.46Å; G215-T219 PolarHBondContact O-OG1 2.81Å
216	G	98.2	Very high	98.7	Very high	12 Å²	12	12.4 Å²	12.4	12%	0.124	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-49.5	179.7	0	0	0	0	0	114.1	T219 F220 G389	G216-T219 PolarHBondContact O-OG1 3.19Å; G216-F220 PolarHBondContact O-N 3.12Å; G216-G389 PolarHBondContact N-O 3.26Å
217	V	98.8	Very high	98.7	Very high	25 Å²	25	10.9 Å²	10.9	15%	0.152	7%	0.072	C	C	.	.	H	α-helix	trans	-68.1	-45.4	177.9	-178.7	0	0	0	0	110.9	V184 T187 A188 G215 T219 F220 A221 L274 N276 L300	V184-V217 HydrophobicContact CB-CG2 4.02Å; V184-V217 HydrophobicContact CG1-CG2 4.13Å; T187-V217 HydrophobicContact CG2-CG2 4.11Å; A188-V217 HydrophobicContact CB-CG1 3.94Å; G215-V217 PolarHBondContact O-N 3.43Å; V217-T219 PolarHBondContact O-N 2.91Å; V217-F220 PolarHBondContact O-N 2.9Å; V217-A221 VanDerWaalsContact O-CB 3.25Å; V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.77Å; V217-L274 HydrophobicContact CG1-CD2 4.49Å; V217-N276 WeakPolarHBondContact CB-OD1 3.4Å; V217-N276 WeakPolarHBondContact CG1-OD1 3.48Å; V217-L300 HydrophobicContact CG1-CD1 3.76Å
218	G	98.8	Very high	98.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-44.4	-177.7	0	0	0	0	0	113.6	A213 G215 F220 A221 I222	A213-G218 CarbonylContact O-C 3.55Å; A213-G218 WeakPolarHBondContact O-CA 3.42Å; G215-G218 PolarHBondContact O-N 2.64Å; G218-F220 VanDerWaalsContact C-N 3.32Å; G218-F220 PolarHBondContact O-N 2.88Å; G218-A221 PolarHBondContact O-N 3.04Å; G218-I222 WeakPolarHBondContact O-CG1 3.44Å; G218-I222 PolarHBondContact O-N 3.37Å
219	T	98.9	Very high	98.7	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-66.5	-33	179.4	51.8	0	0	0	0	112.7	A213 G215 G216 V217 Q223 L243 L247 V365	A213-T219 PolarHBondContact O-N 3Å; G215-T219 WeakPolarHBondContact O-CB 3.26Å; G215-T219 VanDerWaalsContact O-CG2 3.28Å; G215-T219 WeakPolarHBondContact O-CG2 3.46Å; G215-T219 PolarHBondContact O-N 3.46Å; G215-T219 PolarHBondContact O-OG1 2.81Å; G216-T219 PolarHBondContact O-OG1 3.19Å; V217-T219 PolarHBondContact O-N 2.91Å; T219-Q223 WeakPolarHBondContact O-CG 3.44Å; T219-Q223 PolarHBondContact O-NE2 3.44Å; T219-L243 HydrophobicContact CG2-CD2 4.29Å; T219-L247 HydrophobicContact CG2-CD1 3.62Å; T219-V365 HydrophobicContact CG2-CB 4.48Å; T219-V365 HydrophobicContact CG2-CG1 4.27Å; T219-V365 HydrophobicContact CG2-CG2 4.46Å
220	F	98.9	Very high	98.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-71.3	-45.7	169.4	-179.8	-85.7	0	0	0	111.7	L181 A185 A188 G216 V217 G218 I222 Q223 V224 I353 I362	L181-F220 HydrophobicContact CD2-CD2 4.04Å; A185-F220 HydrophobicContact CB-CD1 4.39Å; A185-F220 HydrophobicContact CB-CD2 3.68Å; A185-F220 HydrophobicContact CB-CE1 4.11Å; A185-F220 HydrophobicContact CB-CE2 3.35Å; A185-F220 HydrophobicContact CB-CG 4.19Å; A185-F220 HydrophobicContact CB-CZ 3.59Å; A188-F220 HydrophobicContact CB-CD1 3.41Å; A188-F220 VanDerWaalsContact CB-CD1 3.41Å; A188-F220 HydrophobicContact CB-CE1 3.84Å; A188-F220 HydrophobicContact CB-CG 4.47Å; G216-F220 PolarHBondContact O-N 3.12Å; V217-F220 PolarHBondContact O-N 2.9Å; G218-F220 VanDerWaalsContact C-N 3.32Å; G218-F220 PolarHBondContact O-N 2.88Å; F220-I222 VanDerWaalsContact C-N 3.34Å; F220-I222 PolarHBondContact O-N 2.88Å; F220-Q223 PolarHBondContact O-N 2.55Å; F220-Q223 VanDerWaalsContact O-N 3.08Å; F220-V224 HydrophobicContact CD1-CG1 4.27Å; F220-V224 HydrophobicContact CE1-CB 4.11Å; F220-V224 HydrophobicContact CE1-CG1 4.03Å; F220-V224 PolarHBondContact O-N 2.76Å; F220-I353 HydrophobicContact CE2-CG2 3.8Å; F220-I353 HydrophobicContact CZ-CD1 4.29Å; F220-I353 HydrophobicContact CZ-CG1 4.12Å; F220-I353 HydrophobicContact CZ-CG2 4.02Å; F220-I362 HydrophobicContact CD2-CD1 4.39Å; F220-I362 HydrophobicContact CD2-CG2 3.89Å; F220-I362 HydrophobicContact CE2-CD1 3.6Å; F220-I362 HydrophobicContact CE2-CG2 3.9Å; F220-I362 HydrophobicContact CZ-CD1 3.77Å
221	A	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-38.8	-177.1	0	0	0	0	0	112.9	I192 I210 V217 G218 V224 M225 L274	I192-A221 HydrophobicContact CD1-CB 3.99Å; I210-A221 HydrophobicContact CD1-CB 3.88Å; V217-A221 VanDerWaalsContact O-CB 3.25Å; V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.77Å; G218-A221 PolarHBondContact O-N 3.04Å; A221-V224 WeakPolarHBondContact O-CG1 3.5Å; A221-M225 WeakPolarHBondContact O-CB 3.48Å; A221-M225 WeakPolarHBondContact O-CG 3.5Å; A221-M225 PolarHBondContact O-N 3.05Å; A221-L274 HydrophobicContact CB-CD2 3.68Å
222	I	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.5	-53	172.7	-66.9	161.5	0	0	0	109.6	I210 A213 G218 F220 M225 K226 V232 A234 V244 L247 A249	I210-I222 HydrophobicContact CD1-CB 4.42Å; I210-I222 HydrophobicContact CD1-CG1 3.79Å; A213-I222 HydrophobicContact CB-CD1 4.17Å; G218-I222 WeakPolarHBondContact O-CG1 3.44Å; G218-I222 PolarHBondContact O-N 3.37Å; F220-I222 VanDerWaalsContact C-N 3.34Å; F220-I222 PolarHBondContact O-N 2.88Å; I222-M225 PolarHBondContact O-N 2.86Å; I222-K226 HydrophobicContact CG2-CG 4.38Å; I222-K226 VanDerWaalsContact O-CG 3.32Å; I222-K226 WeakPolarHBondContact O-CG 3.47Å; I222-K226 PolarHBondContact O-N 2.84Å; I222-V232 HydrophobicContact CG1-CG1 4.18Å; I222-V232 HydrophobicContact CG2-CG1 4.35Å; I222-A234 HydrophobicContact CD1-CB 4.44Å; I222-V244 HydrophobicContact CD1-CB 3.7Å; I222-V244 HydrophobicContact CD1-CG1 3.73Å; I222-L247 HydrophobicContact CB-CB 4.43Å; I222-L247 HydrophobicContact CD1-CD1 4.44Å; I222-L247 HydrophobicContact CG2-CB 3.92Å; I222-L247 WeakPolarHBondContact CG2-O 3.36Å; I222-A249 HydrophobicContact CG2-CB 4.36Å
223	Q	98.9	Very high	98.7	Very high	7 Å²	7	17 Å²	17	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-44.3	-172	-65.7	179.6	97.9	0	0	112.2	T219 F220 M225 K226 A227 L247 I362 R363	T219-Q223 WeakPolarHBondContact O-CG 3.44Å; T219-Q223 PolarHBondContact O-NE2 3.44Å; F220-Q223 PolarHBondContact O-N 2.55Å; F220-Q223 VanDerWaalsContact O-N 3.08Å; Q223-M225 PolarHBondContact O-N 2.7Å; Q223-K226 PolarHBondContact O-N 2.87Å; Q223-A227 WeakPolarHBondContact O-CB 3.37Å; Q223-A227 PolarHBondContact O-N 3.02Å; Q223-L247 HydrophobicContact CG-CB 4.09Å; Q223-L247 HydrophobicContact CG-CD2 4.17Å; Q223-I362 HydrophobicContact CB-CG1 4.26Å; Q223-R363 PolarHBondContact NE2-O 3.43Å
224	V	98.8	Very high	98.7	Very high	1 Å²	1	17 Å²	17	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-38.6	178.6	69.9	0	0	0	0	112	W189 I192 F220 A221 K226 A227 W228 L356 I362	W189-V224 HydrophobicContact CE3-CG2 4.29Å; W189-V224 HydrophobicContact CZ3-CG2 3.94Å; I192-V224 HydrophobicContact CD1-CG1 3.77Å; F220-V224 HydrophobicContact CD1-CG1 4.27Å; F220-V224 HydrophobicContact CE1-CB 4.11Å; F220-V224 HydrophobicContact CE1-CG1 4.03Å; F220-V224 PolarHBondContact O-N 2.76Å; A221-V224 WeakPolarHBondContact O-CG1 3.5Å; V224-K226 PolarHBondContact O-N 2.98Å; V224-A227 WeakPolarHBondContact O-CB 3.28Å; V224-A227 PolarHBondContact O-N 3.08Å; V224-W228 HydrophobicContact CG2-CD2 4.16Å; V224-W228 HydrophobicContact CG2-CE3 4.26Å; V224-W228 HydrophobicContact CG2-CH2 3.88Å; V224-W228 HydrophobicContact CG2-CZ2 3.74Å; V224-W228 HydrophobicContact CG2-CZ3 4.13Å; V224-W228 PolarHBondContact O-N 3.27Å; V224-L356 HydrophobicContact CG2-CD1 4.31Å; V224-I362 HydrophobicContact CB-CD1 4.3Å
225	M	98.9	Very high	98.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-38.9	176.6	-69.1	-64.1	-147.5	0	0	111.7	I192 L198 V208 A221 I222 Q223 W228 D229 A230 V232 F272	I192-M225 HydrophobicContact CB-CE 4.28Å; I192-M225 HydrophobicContact CD1-CE 3.89Å; I192-M225 HydrophobicContact CD1-CG 4.24Å; I192-M225 HydrophobicContact CD1-SD 4.29Å; I192-M225 HydrophobicContact CG1-CE 3.79Å; I192-M225 HydrophobicContact CG2-CE 3.58Å; I192-M225 HydrophobicContact CG2-SD 3.74Å; L198-M225 HydrophobicContact CD1-CE 3.65Å; L198-M225 HydrophobicContact CD1-SD 4.28Å; V208-M225 HydrophobicContact CB-CE 4.34Å; V208-M225 HydrophobicContact CG1-CE 3.64Å; V208-M225 HydrophobicContact CG1-CG 4.19Å; V208-M225 HydrophobicContact CG1-SD 4.48Å; V208-M225 HydrophobicContact CG2-CE 3.76Å; V208-M225 HydrophobicContact CG2-CG 4.46Å; V208-M225 HydrophobicContact CG2-SD 4.03Å; A221-M225 WeakPolarHBondContact O-CB 3.48Å; A221-M225 WeakPolarHBondContact O-CG 3.5Å; A221-M225 PolarHBondContact O-N 3.05Å; I222-M225 PolarHBondContact O-N 2.86Å; Q223-M225 PolarHBondContact O-N 2.7Å; M225-W228 CarbonylContact O-C 3.58Å; M225-W228 PolarHBondContact O-N 2.86Å; M225-D229 PolarHBondContact O-N 2.89Å; M225-A230 HydrophobicContact CB-CB 4.15Å; M225-A230 VanDerWaalsContact O-CB 3.29Å; M225-A230 WeakPolarHBondContact O-CB 3.44Å; M225-A230 PolarHBondContact O-N 2.85Å; M225-V232 HydrophobicContact CB-CG2 3.58Å; M225-F272 HydrophobicContact CE-CD1 3.48Å; M225-F272 VanDerWaalsContact CE-CD1 3.48Å; M225-F272 HydrophobicContact CE-CE1 3.6Å; M225-F272 HydrophobicContact CE-CG 4.39Å
226	K	98.8	Very high	98.7	Very high	56 Å²	56	16 Å²	16	24%	0.243	9%	0.088	C	C	.	.	H	α-helix	trans	-69.6	-33.9	173.6	-65.3	-52.5	-63.1	-179.3	0	112.7	I222 Q223 V224 W228 D229 A230 V232 G248 D250	I222-K226 HydrophobicContact CG2-CG 4.38Å; I222-K226 VanDerWaalsContact O-CG 3.32Å; I222-K226 WeakPolarHBondContact O-CG 3.47Å; I222-K226 PolarHBondContact O-N 2.84Å; Q223-K226 PolarHBondContact O-N 2.87Å; V224-K226 PolarHBondContact O-N 2.98Å; K226-W228 PolarHBondContact O-N 3.01Å; K226-D229 PolarHBondContact O-N 3.35Å; K226-D229 VanDerWaalsContact O-N 3.12Å; K226-A230 WeakPolarHBondContact CD-O 3.46Å; K226-A230 PolarHBondContact NZ-O 3.11Å; K226-V232 HydrophobicContact CD-CB 3.99Å; K226-V232 HydrophobicContact CD-CG2 3.55Å; K226-V232 HydrophobicContact CG-CG2 4.03Å; K226-G248 WeakPolarHBondContact CD-O 3.47Å; K226-G248 VanDerWaalsContact CE-O 3.28Å; K226-G248 WeakPolarHBondContact CE-O 3.44Å; K226-G248 VanDerWaalsContact CG-O 3.31Å; K226-G248 WeakPolarHBondContact CG-O 3.17Å; K226-D250 IonicContact NZ-OD1 3.78Å; K226-D250 PolarHBondContact NZ-OD1 2.87Å; K226-D250 IonicContact NZ-OD2 2.89Å; K226-D250 PolarHBondContact NZ-OD2 2.93Å
227	A	98.6	Very high	98.7	Very high	25 Å²	25	15.8 Å²	15.8	21%	0.207	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-23.2	173.5	0	0	0	0	0	112.5	Q223 V224 L356 K361	Q223-A227 WeakPolarHBondContact O-CB 3.37Å; Q223-A227 PolarHBondContact O-N 3.02Å; V224-A227 WeakPolarHBondContact O-CB 3.28Å; V224-A227 PolarHBondContact O-N 3.08Å; A227-L356 HydrophobicContact CB-CD2 4.5Å; A227-K361 HydrophobicContact CB-CB 3.92Å; A227-K361 HydrophobicContact CB-CG 4.42Å
228	W	98.7	Very high	98.6	Very high	17 Å²	17	20.4 Å²	20.4	6%	0.064	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	23	176.3	-56.6	-23.4	0	0	0	113.1	W189 I192 N193 L198 D200 C203 A204 V224 M225 K226 A230	W189-W228 HydrophobicContact CE3-CH2 4.33Å; W189-W228 HydrophobicContact CE3-CZ2 4.47Å; W189-W228 HydrophobicContact CH2-CH2 4.09Å; W189-W228 AromaticContact CH2-CZ2 3.61Å; W189-W228 HydrophobicContact CH2-CZ2 3.61Å; W189-W228 HydrophobicContact CZ2-CZ2 4.34Å; W189-W228 AromaticContact CZ3-CH2 3.96Å; W189-W228 HydrophobicContact CZ3-CH2 3.96Å; W189-W228 AromaticContact CZ3-CZ2 3.67Å; W189-W228 HydrophobicContact CZ3-CZ2 3.67Å; I192-W228 HydrophobicContact CG2-CZ3 3.77Å; N193-W228 HydrophobicContact CB-CH2 4.32Å; L198-W228 VanDerWaalsContact O-CZ3 3.27Å; L198-W228 WeakPolarHBondContact O-CZ3 3.47Å; D200-W228 VanDerWaalsContact CA-CD1 3.48Å; D200-W228 HydrophobicContact CB-CG 4.22Å; C203-W228 CarbonylContact C-O 3.41Å; C203-W228 HydrophobicContact CB-CB 3.57Å; C203-W228 WeakPolarHBondContact CB-O 3.48Å; A204-W228 PolarHBondContact N-O 3.23Å; V224-W228 HydrophobicContact CG2-CD2 4.16Å; V224-W228 HydrophobicContact CG2-CE3 4.26Å; V224-W228 HydrophobicContact CG2-CH2 3.88Å; V224-W228 HydrophobicContact CG2-CZ2 3.74Å; V224-W228 HydrophobicContact CG2-CZ3 4.13Å; V224-W228 PolarHBondContact O-N 3.27Å; M225-W228 CarbonylContact O-C 3.58Å; M225-W228 PolarHBondContact O-N 2.86Å; K226-W228 PolarHBondContact O-N 3.01Å; W228-A230 VanDerWaalsContact C-N 3.25Å; W228-A230 PolarHBondContact O-N 3Å
229	D	98.5	Very high	98.5	Very high	120 Å²	120	25.8 Å²	25.8	64%	0.642	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	27.5	174	-62.5	-36.6	0	0	0	115.6	A204 G205 M225 K226	A204-D229 HydrophobicContact CB-CB 4.35Å; G205-D229 PolarHBondContact N-O 3.14Å; M225-D229 PolarHBondContact O-N 2.89Å; K226-D229 PolarHBondContact O-N 3.35Å; K226-D229 VanDerWaalsContact O-N 3.12Å
230	A	98.8	Very high	98.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	13%	0.131	C	C	.	.			trans	-76.8	155.9	169.6	0	0	0	0	0	111.8	C203 V208 M225 K226 W228	C203-A230 HydrophobicContact CB-CB 4.37Å; V208-A230 HydrophobicContact CG2-CB 3.92Å; M225-A230 HydrophobicContact CB-CB 4.15Å; M225-A230 VanDerWaalsContact O-CB 3.29Å; M225-A230 WeakPolarHBondContact O-CB 3.44Å; M225-A230 PolarHBondContact O-N 2.85Å; K226-A230 WeakPolarHBondContact CD-O 3.46Å; K226-A230 PolarHBondContact NZ-O 3.11Å; W228-A230 VanDerWaalsContact C-N 3.25Å; W228-A230 PolarHBondContact O-N 3Å
231	H	98.8	Very high	98.4	Very high	51 Å²	51	26.4 Å²	26.4	24%	0.236	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.7	166	-179.4	-61.2	0	0	0	109.2	K206 R207 V208 D250 D251	K206-H231 PolarHBondContact O-N 3.4Å; R207-H231 HydrophobicContact CG-CB 4.44Å; R207-H231 PolarHBondContact NH1-CE1 2.96Å; R207-H231 PolarHBondContact NH1-ND1 2.79Å; R207-H231 PolarHBondContact NH1-NE2 2.54Å; V208-H231 PolarHBondContact N-O 3.15Å; H231-D250 WeakPolarHBondContact CA-OD2 3.46Å; H231-D250 IonicContact CG-OD2 2.85Å; H231-D251 IonicContact CE1-OD2 3.93Å; H231-D251 PolarHBondContact CE1-OD2 2.6Å; H231-D251 IonicContact NE2-OD2 2.75Å
232	V	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.6	-172.1	178.6	0	0	0	0	111	I210 I222 M225 K226 D250 D251	I210-V232 HydrophobicContact CD1-CG1 3.73Å; I210-V232 HydrophobicContact CG1-CG1 4.3Å; I222-V232 HydrophobicContact CG1-CG1 4.18Å; I222-V232 HydrophobicContact CG2-CG1 4.35Å; M225-V232 HydrophobicContact CB-CG2 3.58Å; K226-V232 HydrophobicContact CD-CB 3.99Å; K226-V232 HydrophobicContact CD-CG2 3.55Å; K226-V232 HydrophobicContact CG-CG2 4.03Å; V232-D250 PolarHBondContact N-OD2 3.12Å; V232-D250 PolarHBondContact O-N 3.35Å; V232-D251 PolarHBondContact O-N 3.33Å
233	T	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.2	166.7	-56.6	0	0	0	0	108.8	V208 L209 I210 D251 I253 L267 F270	V208-T233 PolarHBondContact O-N 3.11Å; L209-T233 WeakPolarHBondContact CA-O 3.46Å; L209-T233 HydrophobicContact CD1-CG2 3.6Å; I210-T233 PolarHBondContact N-O 3.45Å; T233-D251 WeakPolarHBondContact CA-O 3.18Å; T233-D251 HydrophobicContact CG2-CB 3.73Å; T233-D251 PolarHBondContact OG1-OD2 2.82Å; T233-I253 HydrophobicContact CG2-CD1 4.02Å; T233-L267 HydrophobicContact CG2-CD1 4.09Å; T233-F270 HydrophobicContact CG2-CE1 4.36Å; T233-F270 HydrophobicContact CG2-CZ 4.25Å; T233-F270 WeakPolarHBondContact OG1-CE1 3.19Å
234	A	98.8	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.7	-177.7	0	0	0	0	0	111.3	A213 I222 V244 A249 D251 V252 I253	A213-A234 HydrophobicContact CB-CB 3.59Å; I222-A234 HydrophobicContact CD1-CB 4.44Å; A234-V244 HydrophobicContact CB-CB 4.22Å; A234-V244 HydrophobicContact CB-CG2 4.14Å; A234-A249 HydrophobicContact CB-CB 3.74Å; A234-D251 PolarHBondContact N-O 2.89Å; A234-V252 CarbonylContact O-C 3.48Å; A234-V252 VanDerWaalsContact O-CA 3.31Å; A234-V252 WeakPolarHBondContact O-CA 3.48Å; A234-I253 PolarHBondContact O-N 2.74Å
235	V	98.6	Very high	98.3	Very high	9 Å²	9	36 Å²	36	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.3	171.8	-175.5	0	0	0	0	109.2	L209 I210 L211 G212 A213 I253	L209-V235 HydrophobicContact CD1-CG2 3.7Å; I210-V235 PolarHBondContact O-N 3.18Å; L211-V235 HydrophobicContact CD2-CB 3.92Å; L211-V235 HydrophobicContact CD2-CG1 4.44Å; L211-V235 HydrophobicContact CD2-CG2 3.62Å; G212-V235 PolarHBondContact N-O 3.26Å; A213-V235 PolarHBondContact N-O 3.4Å; V235-I253 WeakPolarHBondContact CA-O 3.3Å; V235-I253 HydrophobicContact CG1-CG2 4.43Å; V235-I253 HydrophobicContact CG2-CB 4.2Å; V235-I253 HydrophobicContact CG2-CG2 4.44Å
236	C	98.1	Very high	98.3	Very high	4 Å²	4	44 Å²	44	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	176.1	-179	64	0	0	0	0	111.4	A213 A240 I253 D254 Y255	A213-C236 HydrophobicContact CB-CB 4.5Å; C236-A240 HydrophobicContact CB-CB 4.11Å; C236-I253 PolarHBondContact N-O 3.42Å; C236-I253 VanDerWaalsContact N-O 3.14Å; C236-D254 WeakPolarHBondContact O-CA 3.48Å; C236-Y255 WeakPolarHBondContact O-CD1 3.42Å; C236-Y255 PolarHBondContact O-N 3.09Å
237	S	97.1	Very high	98.3	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.049	22%	0.217	C	C	.	.			trans	-64.5	150.7	170.3	-60.6	0	0	0	0	110.7	D239 A240 Y255	S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 WeakPolarHBondContact CB-OD1 3.45Å; S237-D239 PolarHBondContact O-N 3.36Å; S237-A240 WeakPolarHBondContact O-CB 3.23Å; S237-A240 PolarHBondContact O-N 2.9Å; S237-Y255 VanDerWaalsContact OG-CE1 3.3Å; S237-Y255 WeakPolarHBondContact OG-CE1 3Å
238	Q	96.9	Very high	98.3	Very high	121 Å²	121	42.1 Å²	42.1	57%	0.565	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-50.4	-41.4	177.3	-175.8	61.1	1.6	0	0	114.5	A240 S241 D254	Q238-A240 PolarHBondContact O-N 3.06Å; Q238-S241 WeakPolarHBondContact O-CB 3.37Å; Q238-S241 PolarHBondContact O-N 3.32Å; Q238-S241 VanDerWaalsContact O-N 3.08Å; Q238-D254 HydrophobicContact CB-CB 4.25Å; Q238-D254 PolarHBondContact N-OD1 2.68Å; Q238-D254 VanDerWaalsContact N-OD1 3.1Å
239	D	96.5	Very high	98.3	Very high	114 Å²	114	41.7 Å²	41.7	61%	0.61	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-68.2	-16.6	-179.3	71.7	-61.9	0	0	0	113.4	S237 R388	S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 WeakPolarHBondContact CB-OD1 3.45Å; S237-D239 PolarHBondContact O-N 3.36Å; D239-R388 IonicContact OD1-CZ 2.68Å; D239-R388 IonicContact OD1-NH2 3.77Å; D239-R388 PolarHBondContact OD1-NH2 3.22Å; D239-R388 IonicContact OD2-CZ 2.96Å; D239-R388 IonicContact OD2-NE 2.74Å; D239-R388 PolarHBondContact OD2-NE 3.21Å; D239-R388 IonicContact OD2-NH2 3.16Å; D239-R388 PolarHBondContact OD2-NH2 2.76Å
240	A	98.1	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-90.5	-7.6	174.1	0	0	0	0	0	113.7	S214 C236 S237 Q238 G242 L243 V244	S214-A240 VanDerWaalsContact CB-CB 3.46Å; C236-A240 HydrophobicContact CB-CB 4.11Å; S237-A240 WeakPolarHBondContact O-CB 3.23Å; S237-A240 PolarHBondContact O-N 2.9Å; Q238-A240 PolarHBondContact O-N 3.06Å; A240-G242 PolarHBondContact O-N 3.14Å; A240-L243 WeakPolarHBondContact O-CB 3.48Å; A240-L243 PolarHBondContact O-N 3.39Å; A240-L243 VanDerWaalsContact O-N 3.08Å; A240-V244 PolarHBondContact O-N 3.03Å
241	S	97.9	Very high	98.3	Very high	20 Å²	20	41.1 Å²	41.1	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-53	-49	-177.1	165.8	0	0	0	0	112.6	Q238 L243 V244 R245	Q238-S241 WeakPolarHBondContact O-CB 3.37Å; Q238-S241 PolarHBondContact O-N 3.32Å; Q238-S241 VanDerWaalsContact O-N 3.08Å; S241-L243 VanDerWaalsContact C-N 3.28Å; S241-L243 PolarHBondContact O-N 3.33Å; S241-V244 VanDerWaalsContact O-CG2 3.29Å; S241-V244 WeakPolarHBondContact O-CG2 3.44Å; S241-V244 PolarHBondContact O-N 2.84Å; S241-R245 WeakPolarHBondContact O-CG 3.38Å; S241-R245 PolarHBondContact O-N 3.33Å
242	G	98.4	Very high	98.3	Very high	43 Å²	43	39.9 Å²	39.9	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-34.9	179.9	0	0	0	0	0	113.1	A240 K246	A240-G242 PolarHBondContact O-N 3.14Å; G242-K246 VanDerWaalsContact O-CG 3.27Å; G242-K246 WeakPolarHBondContact O-CG 3.35Å; G242-K246 PolarHBondContact O-N 3.12Å
243	L	98.6	Very high	98.3	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-54.5	175.6	172	62.8	0	0	0	110.6	T219 A240 S241 R245 K246 L247 V365 R388	T219-L243 HydrophobicContact CG2-CD2 4.29Å; A240-L243 WeakPolarHBondContact O-CB 3.48Å; A240-L243 PolarHBondContact O-N 3.39Å; A240-L243 VanDerWaalsContact O-N 3.08Å; S241-L243 VanDerWaalsContact C-N 3.28Å; S241-L243 PolarHBondContact O-N 3.33Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.02Å; L243-K246 WeakPolarHBondContact O-CB 3.49Å; L243-K246 PolarHBondContact O-N 3.45Å; L243-K246 VanDerWaalsContact O-N 3.14Å; L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 HydrophobicContact CD1-CG 4.37Å; L243-L247 HydrophobicContact CG-CD1 4.26Å; L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 3.02Å; L243-V365 HydrophobicContact CD1-CG1 3.96Å; L243-V365 HydrophobicContact CD2-CG1 4.24Å; L243-R388 HydrophobicContact CD2-CB 4.23Å
244	V	98.8	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-32.6	-174.4	-61.8	0	0	0	0	112.4	A213 I222 A234 A240 S241 L247 G248 A249 V252	A213-V244 HydrophobicContact CB-CG1 4.26Å; I222-V244 HydrophobicContact CD1-CB 3.7Å; I222-V244 HydrophobicContact CD1-CG1 3.73Å; A234-V244 HydrophobicContact CB-CB 4.22Å; A234-V244 HydrophobicContact CB-CG2 4.14Å; A240-V244 PolarHBondContact O-N 3.03Å; S241-V244 VanDerWaalsContact O-CG2 3.29Å; S241-V244 WeakPolarHBondContact O-CG2 3.44Å; S241-V244 PolarHBondContact O-N 2.84Å; V244-L247 PolarHBondContact O-N 3.27Å; V244-G248 PolarHBondContact O-N 2.88Å; V244-A249 HydrophobicContact CB-CB 4.28Å; V244-A249 HydrophobicContact CG2-CB 4.45Å; V244-A249 VanDerWaalsContact O-CB 3.3Å; V244-A249 WeakPolarHBondContact O-CB 3.39Å; V244-A249 PolarHBondContact O-N 3.38Å; V244-A249 VanDerWaalsContact O-N 3.08Å; V244-V252 HydrophobicContact CG2-CB 4.46Å; V244-V252 HydrophobicContact CG2-CG1 3.9Å; V244-V252 HydrophobicContact CG2-CG2 3.63Å
245	R	98.7	Very high	98.1	Very high	120 Å²	120	47 Å²	47	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-43.7	172.3	-69.7	-174.9	-176.2	-77.3	4.7	112.3	S241 L243 L247 G248 D250 V252	S241-R245 WeakPolarHBondContact O-CG 3.38Å; S241-R245 PolarHBondContact O-N 3.33Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.02Å; R245-L247 PolarHBondContact O-N 3.41Å; R245-G248 WeakPolarHBondContact O-CA 3.44Å; R245-G248 PolarHBondContact O-N 3.24Å; R245-D250 PolarHBondContact NH1-O 3.37Å; R245-V252 HydrophobicContact CG-CG2 3.59Å
246	K	98.6	Very high	97.9	Very high	169 Å²	169	52.5 Å²	52.5	74%	0.735	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-22.9	175.6	-75.9	176.4	-179	-177.3	0	113.2	G242 L243 G248 R363	G242-K246 VanDerWaalsContact O-CG 3.27Å; G242-K246 WeakPolarHBondContact O-CG 3.35Å; G242-K246 PolarHBondContact O-N 3.12Å; L243-K246 WeakPolarHBondContact O-CB 3.49Å; L243-K246 PolarHBondContact O-N 3.45Å; L243-K246 VanDerWaalsContact O-N 3.14Å; K246-G248 VanDerWaalsContact C-N 3.35Å; K246-R363 PolarHBondContact O-NH2 3.17Å
247	L	98.7	Very high	97.6	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.1	174.2	-61.6	176.1	0	0	0	113.1	T219 I222 Q223 L243 V244 R245 V365	T219-L247 HydrophobicContact CG2-CD1 3.62Å; I222-L247 HydrophobicContact CB-CB 4.43Å; I222-L247 HydrophobicContact CD1-CD1 4.44Å; I222-L247 HydrophobicContact CG2-CB 3.92Å; I222-L247 WeakPolarHBondContact CG2-O 3.36Å; Q223-L247 HydrophobicContact CG-CB 4.09Å; Q223-L247 HydrophobicContact CG-CD2 4.17Å; L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 HydrophobicContact CD1-CG 4.37Å; L243-L247 HydrophobicContact CG-CD1 4.26Å; L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 3.02Å; V244-L247 PolarHBondContact O-N 3.27Å; R245-L247 PolarHBondContact O-N 3.41Å; L247-V365 HydrophobicContact CD1-CG2 4.1Å; L247-V365 HydrophobicContact CD2-CG2 3.81Å
248	G	98.6	Very high	97.2	Very high	26 Å²	26	58.2 Å²	58.2	27%	0.268	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.1	10.9	173.8	0	0	0	0	0	115.4	K226 V244 R245 K246 D250	K226-G248 WeakPolarHBondContact CD-O 3.47Å; K226-G248 VanDerWaalsContact CE-O 3.28Å; K226-G248 WeakPolarHBondContact CE-O 3.44Å; K226-G248 VanDerWaalsContact CG-O 3.31Å; K226-G248 WeakPolarHBondContact CG-O 3.17Å; V244-G248 PolarHBondContact O-N 2.88Å; R245-G248 WeakPolarHBondContact O-CA 3.44Å; R245-G248 PolarHBondContact O-N 3.24Å; K246-G248 VanDerWaalsContact C-N 3.35Å; G248-D250 PolarHBondContact O-N 2.84Å
249	A	98.7	Very high	96.8	Very high	7 Å²	7	54 Å²	54	6%	0.058	30%	0.302	C	S	.	.			trans	-62.1	125.3	171.5	0	0	0	0	0	110.7	I222 A234 V244 V252	I222-A249 HydrophobicContact CG2-CB 4.36Å; A234-A249 HydrophobicContact CB-CB 3.74Å; V244-A249 HydrophobicContact CB-CB 4.28Å; V244-A249 HydrophobicContact CG2-CB 4.45Å; V244-A249 VanDerWaalsContact O-CB 3.3Å; V244-A249 WeakPolarHBondContact O-CB 3.39Å; V244-A249 PolarHBondContact O-N 3.38Å; V244-A249 VanDerWaalsContact O-N 3.08Å; A249-V252 HydrophobicContact CB-CG2 4.16Å
250	D	98.7	Very high	96.7	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	28%	0.28	S	S	.	.	S	Bend	trans	-74.9	-51.8	180	-53.8	-80.3	0	0	0	109.7	K226 H231 V232 R245 G248	K226-D250 IonicContact NZ-OD1 3.78Å; K226-D250 PolarHBondContact NZ-OD1 2.87Å; K226-D250 IonicContact NZ-OD2 2.89Å; K226-D250 PolarHBondContact NZ-OD2 2.93Å; H231-D250 WeakPolarHBondContact CA-OD2 3.46Å; H231-D250 IonicContact CG-OD2 2.85Å; V232-D250 PolarHBondContact N-OD2 3.12Å; V232-D250 PolarHBondContact O-N 3.35Å; R245-D250 PolarHBondContact NH1-O 3.37Å; G248-D250 PolarHBondContact O-N 2.84Å
251	D	98.5	Very high	96.2	Very high	47 Å²	47	54.4 Å²	54.4	25%	0.251	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.6	175.4	-64.9	-37.7	0	0	0	110.6	R207 H231 V232 T233 A234	R207-D251 IonicContact NH2-OD2 3.85Å; H231-D251 IonicContact CE1-OD2 3.93Å; H231-D251 PolarHBondContact CE1-OD2 2.6Å; H231-D251 IonicContact NE2-OD2 2.75Å; V232-D251 PolarHBondContact O-N 3.33Å; T233-D251 WeakPolarHBondContact CA-O 3.18Å; T233-D251 HydrophobicContact CG2-CB 3.73Å; T233-D251 PolarHBondContact OG1-OD2 2.82Å; A234-D251 PolarHBondContact N-O 2.89Å
252	V	98.6	Very high	95.9	Very high	26 Å²	26	60 Å²	60	16%	0.158	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.4	174	-176.4	0	0	0	0	109.8	A234 V244 R245 A249	A234-V252 CarbonylContact O-C 3.48Å; A234-V252 VanDerWaalsContact O-CA 3.31Å; A234-V252 WeakPolarHBondContact O-CA 3.48Å; V244-V252 HydrophobicContact CG2-CB 4.46Å; V244-V252 HydrophobicContact CG2-CG1 3.9Å; V244-V252 HydrophobicContact CG2-CG2 3.63Å; R245-V252 HydrophobicContact CG-CG2 3.59Å; A249-V252 HydrophobicContact CB-CG2 4.16Å
253	I	98.3	Very high	95.8	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.7	178.6	-70.1	170.8	0	0	0	108.9	T233 A234 V235 C236 Y255 V260 Q263 L264 L267	T233-I253 HydrophobicContact CG2-CD1 4.02Å; A234-I253 PolarHBondContact O-N 2.74Å; V235-I253 WeakPolarHBondContact CA-O 3.3Å; V235-I253 HydrophobicContact CG1-CG2 4.43Å; V235-I253 HydrophobicContact CG2-CB 4.2Å; V235-I253 HydrophobicContact CG2-CG2 4.44Å; C236-I253 PolarHBondContact N-O 3.42Å; C236-I253 VanDerWaalsContact N-O 3.14Å; I253-Y255 PolarHBondContact O-N 3.05Å; I253-V260 HydrophobicContact CG2-CG1 4.13Å; I253-V260 HydrophobicContact CG2-CG2 4.29Å; I253-Q263 HydrophobicContact CD1-CB 4.27Å; I253-Q263 HydrophobicContact CG1-CB 4.44Å; I253-L264 HydrophobicContact CD1-CD2 3.4Å; I253-L264 VanDerWaalsContact CD1-CD2 3.4Å; I253-L264 HydrophobicContact CD1-CG 3.83Å; I253-L267 HydrophobicContact CD1-CD1 4.05Å
254	D	97.9	Very high	95.7	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.2	170	177.5	27.3	0	0	0	110	C236 Q238 K256 S257	C236-D254 WeakPolarHBondContact O-CA 3.48Å; Q238-D254 HydrophobicContact CB-CB 4.25Å; Q238-D254 PolarHBondContact N-OD1 2.68Å; Q238-D254 VanDerWaalsContact N-OD1 3.1Å; D254-K256 PolarHBondContact O-N 3.02Å; D254-K256 PolarHBondContact OD1-N 2.85Å; D254-K256 VanDerWaalsContact OD1-N 3.13Å; D254-S257 WeakPolarHBondContact O-CB 3.38Å; D254-S257 PolarHBondContact O-N 2.8Å; D254-S257 PolarHBondContact O-OG 3.04Å; D254-S257 PolarHBondContact OD2-N 3.47Å
255	Y	95.8	Very high	95.4	Very high	114 Å²	114	65.6 Å²	65.6	45%	0.447	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	-178.9	78.6	-88.9	0	0	0	113.7	C236 S237 I253	C236-Y255 WeakPolarHBondContact O-CD1 3.42Å; C236-Y255 PolarHBondContact O-N 3.09Å; S237-Y255 VanDerWaalsContact OG-CE1 3.3Å; S237-Y255 WeakPolarHBondContact OG-CE1 3Å; I253-Y255 PolarHBondContact O-N 3.05Å
256	K	94.5	Very high	95.3	Very high	126 Å²	126	64.7 Å²	64.7	55%	0.548	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.2	178.5	-60.5	-176.8	-176.3	-179.6	0	113.8	D254 G258	D254-K256 PolarHBondContact O-N 3.02Å; D254-K256 PolarHBondContact OD1-N 2.85Å; D254-K256 VanDerWaalsContact OD1-N 3.13Å; K256-G258 PolarHBondContact O-N 3.49Å
257	S	92.2	Very high	95.3	Very high	52 Å²	52	58.8 Å²	58.8	36%	0.364	33%	0.326	S	S	.	.	S	Bend	trans	-67.7	-17.3	-178.1	60.6	0	0	0	0	114.5	D254 S259	D254-S257 WeakPolarHBondContact O-CB 3.38Å; D254-S257 PolarHBondContact O-N 2.8Å; D254-S257 PolarHBondContact O-OG 3.04Å; D254-S257 PolarHBondContact OD2-N 3.47Å; S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.41Å
258	G	89.1	Confident	95.2	Very high	79 Å²	79	65.3 Å²	65.3	81%	0.814	35%	0.354	S	S	*	.	S	Bend	trans	82.9	-6.7	-175.8	0	0	0	0	0	114.8	K256	K256-G258 PolarHBondContact O-N 3.49Å
259	S	88.6	Confident	95.2	Very high	31 Å²	31	67.1 Å²	67.1	22%	0.217	36%	0.36	C	S	.	.			trans	-124.7	23.9	-174.9	58.1	0	0	0	0	113.9	S257 E261 E262 Q263	S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.41Å; S259-E261 VanDerWaalsContact C-N 3.31Å; S259-E261 PolarHBondContact O-N 2.76Å; S259-E262 PolarHBondContact O-N 2.65Å; S259-E262 VanDerWaalsContact O-N 3.13Å; S259-Q263 WeakPolarHBondContact O-CB 3.32Å; S259-Q263 WeakPolarHBondContact O-CG 3.44Å; S259-Q263 PolarHBondContact O-N 3.07Å
260	V	92.8	Very high	95.2	Very high	23 Å²	23	66.8 Å²	66.8	14%	0.139	36%	0.358	C	S	.	.	H	α-helix	trans	-52.5	-46.9	-177	178.9	0	0	0	0	112.4	I253 Q263 L264 W284	I253-V260 HydrophobicContact CG2-CG1 4.13Å; I253-V260 HydrophobicContact CG2-CG2 4.29Å; V260-Q263 PolarHBondContact O-N 3.25Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CB 3.15Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 3.41Å; V260-W284 HydrophobicContact CG1-CH2 4.32Å
261	E	88.8	Confident	95.2	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-40.3	-178.1	-161.1	-173	152.2	0	0	111.6	S259 L264 K265 F288	S259-E261 VanDerWaalsContact C-N 3.31Å; S259-E261 PolarHBondContact O-N 2.76Å; E261-L264 PolarHBondContact O-N 2.83Å; E261-K265 WeakPolarHBondContact O-CB 3.29Å; E261-K265 VanDerWaalsContact O-CG 3.25Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 WeakPolarHBondContact OE1-CE 3.3Å; E261-K265 IonicContact OE1-NZ 2.89Å; E261-K265 PolarHBondContact OE1-NZ 3.17Å; E261-F288 HydrophobicContact CG-CE2 4.31Å; E261-F288 HydrophobicContact CG-CZ 3.73Å
262	E	91.4	Very high	95.2	Very high	139 Å²	139	63.1 Å²	63.1	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-66.7	-43.9	177.2	-62.1	177.2	168.5	0	0	111.4	S259 L264 K265 S266	S259-E262 PolarHBondContact O-N 2.65Å; S259-E262 VanDerWaalsContact O-N 3.13Å; E262-L264 PolarHBondContact O-N 3.47Å; E262-K265 PolarHBondContact O-N 2.65Å; E262-S266 PolarHBondContact O-N 2.77Å
263	Q	95.4	Very high	95.2	Very high	71 Å²	71	61.9 Å²	61.9	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-47.4	175.3	-72.9	-179.1	-27.8	0	0	110.5	I253 S259 V260 K265 S266 L267	I253-Q263 HydrophobicContact CD1-CB 4.27Å; I253-Q263 HydrophobicContact CG1-CB 4.44Å; S259-Q263 WeakPolarHBondContact O-CB 3.32Å; S259-Q263 WeakPolarHBondContact O-CG 3.44Å; S259-Q263 PolarHBondContact O-N 3.07Å; V260-Q263 PolarHBondContact O-N 3.25Å; Q263-K265 VanDerWaalsContact C-N 3.34Å; Q263-K265 PolarHBondContact O-N 2.97Å; Q263-S266 PolarHBondContact O-N 2.78Å; Q263-S266 PolarHBondContact O-OG 3.34Å; Q263-L267 PolarHBondContact O-N 3.01Å
264	L	95.9	Very high	95.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-35.7	176.9	-70	170.7	0	0	0	112.7	L209 I253 V260 E261 E262 S266 L267 F270 W284 F288	L209-L264 HydrophobicContact CD1-CD2 3.97Å; L209-L264 HydrophobicContact CD2-CD2 4.14Å; I253-L264 HydrophobicContact CD1-CD2 3.4Å; I253-L264 VanDerWaalsContact CD1-CD2 3.4Å; I253-L264 HydrophobicContact CD1-CG 3.83Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CB 3.15Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 3.41Å; E261-L264 PolarHBondContact O-N 2.83Å; E262-L264 PolarHBondContact O-N 3.47Å; L264-S266 VanDerWaalsContact C-N 3.28Å; L264-S266 PolarHBondContact O-N 3.32Å; L264-L267 PolarHBondContact O-N 3.37Å; L264-L267 VanDerWaalsContact O-N 3.15Å; L264-F270 HydrophobicContact CD2-CE2 3.87Å; L264-F270 HydrophobicContact CD2-CZ 3.98Å; L264-W284 HydrophobicContact CD1-CE3 4.18Å; L264-W284 HydrophobicContact CD1-CH2 4.33Å; L264-W284 HydrophobicContact CD1-CZ3 3.48Å; L264-W284 VanDerWaalsContact CD1-CZ3 3.48Å; L264-F288 HydrophobicContact CB-CD1 3.68Å; L264-F288 HydrophobicContact CB-CD2 4.37Å; L264-F288 HydrophobicContact CB-CE1 3.37Å; L264-F288 HydrophobicContact CB-CE2 4.11Å; L264-F288 HydrophobicContact CB-CG 4.16Å; L264-F288 HydrophobicContact CB-CZ 3.6Å; L264-F288 HydrophobicContact CD1-CD2 4.06Å; L264-F288 HydrophobicContact CD1-CE2 3.91Å; L264-F288 HydrophobicContact CD1-CG 4.49Å; L264-F288 HydrophobicContact CD1-CZ 4.2Å
265	K	94.4	Very high	95.3	Very high	134 Å²	134	60.3 Å²	60.3	58%	0.583	32%	0.322	S	S	*	.	H	α-helix	trans	-64.8	-30.3	174.9	-79.1	174.1	-176.1	164.5	0	112.8	E261 E262 Q263 L267 F288	E261-K265 WeakPolarHBondContact O-CB 3.29Å; E261-K265 VanDerWaalsContact O-CG 3.25Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 WeakPolarHBondContact OE1-CE 3.3Å; E261-K265 IonicContact OE1-NZ 2.89Å; E261-K265 PolarHBondContact OE1-NZ 3.17Å; E262-K265 PolarHBondContact O-N 2.65Å; Q263-K265 VanDerWaalsContact C-N 3.34Å; Q263-K265 PolarHBondContact O-N 2.97Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.91Å; K265-F288 HydrophobicContact CB-CE1 4.48Å; K265-F288 HydrophobicContact CG-CE1 3.78Å; K265-F288 HydrophobicContact CG-CZ 4.23Å
266	S	96.2	Very high	95.4	Very high	101 Å²	101	56.6 Å²	56.6	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-76.3	-14.2	175.6	71	0	0	0	0	113.5	E262 Q263 L264	E262-S266 PolarHBondContact O-N 2.77Å; Q263-S266 PolarHBondContact O-N 2.78Å; Q263-S266 PolarHBondContact O-OG 3.34Å; L264-S266 VanDerWaalsContact C-N 3.28Å; L264-S266 PolarHBondContact O-N 3.32Å
267	L	97.1	Very high	95.6	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.236	31%	0.308	C	S	.	.	S	Bend	trans	-90.9	154.7	176.3	-62.2	177.9	0	0	0	111.8	T233 I253 Q263 L264 K265 F270	T233-L267 HydrophobicContact CG2-CD1 4.09Å; I253-L267 HydrophobicContact CD1-CD1 4.05Å; Q263-L267 PolarHBondContact O-N 3.01Å; L264-L267 PolarHBondContact O-N 3.37Å; L264-L267 VanDerWaalsContact O-N 3.15Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.91Å; L267-F270 HydrophobicContact CD1-CZ 4.26Å
268	K	97.6	Very high	95.7	Very high	154 Å²	154	52.3 Å²	52.3	67%	0.67	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-63.9	143.9	169.2	-66.9	177.1	-175.7	176.8	0	110.1	R207	R207-K268 PolarHBondContact NE-O 3.13Å; R207-K268 VanDerWaalsContact NE-O 3.08Å
269	P	98.3	Very high	95.9	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-60.6	156.8	-178.7	26.8	-37.1	0	0	0	112.7	F288 K290	P269-F288 WeakPolarHBondContact CA-O 3.31Å; P269-F288 WeakPolarHBondContact CB-O 3.48Å; P269-K290 HydrophobicContact CB-CG 3.67Å; P269-K290 HydrophobicContact CG-CG 3.62Å; P269-K290 VanDerWaalsContact O-CE 3.3Å; P269-K290 WeakPolarHBondContact O-CE 3.34Å
270	F	98.8	Very high	96.2	Very high	1 Å²	1	54 Å²	54	0%	0.004	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-94.4	147.5	-172.8	-58.2	-79.1	0	0	0	112.5	R207 L209 T233 L264 L267 I273 F288 L289 K290	R207-F270 HydrophobicContact CB-CD1 4Å; L209-F270 HydrophobicContact CB-CD1 3.81Å; L209-F270 HydrophobicContact CB-CD2 4.09Å; L209-F270 HydrophobicContact CB-CE1 3.97Å; L209-F270 HydrophobicContact CB-CE2 4.25Å; L209-F270 HydrophobicContact CB-CG 3.88Å; L209-F270 HydrophobicContact CB-CZ 4.19Å; L209-F270 HydrophobicContact CD1-CE1 4.31Å; L209-F270 HydrophobicContact CD1-CE2 4.36Å; L209-F270 HydrophobicContact CD1-CZ 3.99Å; L209-F270 HydrophobicContact CD2-CD2 4.14Å; L209-F270 HydrophobicContact CD2-CE2 3.98Å; L209-F270 HydrophobicContact CD2-CZ 4.43Å; L209-F270 HydrophobicContact CG-CE2 4.44Å; L209-F270 HydrophobicContact CG-CZ 4.44Å; T233-F270 HydrophobicContact CG2-CE1 4.36Å; T233-F270 HydrophobicContact CG2-CZ 4.25Å; T233-F270 WeakPolarHBondContact OG1-CE1 3.19Å; L264-F270 HydrophobicContact CD2-CE2 3.87Å; L264-F270 HydrophobicContact CD2-CZ 3.98Å; L267-F270 HydrophobicContact CD1-CZ 4.26Å; F270-I273 HydrophobicContact CB-CG1 4.27Å; F270-F288 HydrophobicContact CD2-CB 3.9Å; F270-F288 WeakPolarHBondContact CD2-O 3.25Å; F270-F288 HydrophobicContact CE2-CB 4.16Å; F270-F288 PolarHBondContact N-O 3.11Å; F270-L289 HydrophobicContact CB-CD2 4.34Å; F270-L289 CarbonylContact O-C 3.49Å; F270-L289 WeakPolarHBondContact O-CA 3.45Å; F270-L289 WeakPolarHBondContact O-CD2 3.49Å; F270-K290 PolarHBondContact O-N 2.68Å
271	D	98.9	Very high	96.4	Very high	29 Å²	29	53.3 Å²	53.3	16%	0.155	30%	0.297	C	S	.	.	S	Bend	trans	-84.7	-27.5	170.6	-60.2	-76.2	0	0	0	111	K206 R207 K290 A295 T296	K206-D271 HydrophobicContact CB-CB 4.09Å; K206-D271 HydrophobicContact CD-CB 4.22Å; K206-D271 HydrophobicContact CG-CB 4.17Å; R207-D271 PolarHBondContact N-OD2 2.68Å; R207-D271 PolarHBondContact O-N 2.81Å; D271-K290 WeakPolarHBondContact OD1-CD 3.18Å; D271-K290 WeakPolarHBondContact OD1-CE 3.4Å; D271-K290 IonicContact OD1-NZ 3.83Å; D271-K290 PolarHBondContact OD1-NZ 2.98Å; D271-K290 IonicContact OD2-NZ 3.17Å; D271-K290 PolarHBondContact OD2-NZ 2.78Å; D271-A295 WeakPolarHBondContact O-CA 3.27Å; D271-A295 WeakPolarHBondContact O-CB 3.29Å; D271-T296 PolarHBondContact O-N 3.23Å; D271-T296 VanDerWaalsContact O-N 3.08Å
272	F	98.9	Very high	96.7	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138.6	-177.7	-173.8	-99.9	0	0	0	111.8	I192 L198 R207 V208 L209 M225 L274 T296 V298	I192-F272 HydrophobicContact CG1-CE1 4.13Å; I192-F272 HydrophobicContact CG1-CZ 4.38Å; L198-F272 HydrophobicContact CD1-CB 3.78Å; L198-F272 HydrophobicContact CD1-CD1 3.88Å; L198-F272 HydrophobicContact CD1-CD2 3.69Å; L198-F272 HydrophobicContact CD1-CE1 4.35Å; L198-F272 HydrophobicContact CD1-CE2 4.21Å; L198-F272 HydrophobicContact CD1-CG 3.51Å; L198-F272 HydrophobicContact CG-CD2 4.37Å; R207-F272 PolarHBondContact O-N 3.21Å; V208-F272 WeakPolarHBondContact CA-O 3.19Å; V208-F272 HydrophobicContact CG1-CD1 4.13Å; V208-F272 HydrophobicContact CG2-CB 4.32Å; L209-F272 PolarHBondContact N-O 2.95Å; M225-F272 HydrophobicContact CE-CD1 3.48Å; M225-F272 VanDerWaalsContact CE-CD1 3.48Å; M225-F272 HydrophobicContact CE-CE1 3.6Å; M225-F272 HydrophobicContact CE-CG 4.39Å; F272-L274 HydrophobicContact CE1-CB 3.92Å; F272-T296 WeakPolarHBondContact CA-O 3.23Å; F272-T296 WeakPolarHBondContact CD2-O 3.43Å; F272-T296 HydrophobicContact CE2-CG2 4.42Å; F272-V298 HydrophobicContact CE2-CB 4.28Å; F272-V298 HydrophobicContact CE2-CG2 3.46Å; F272-V298 VanDerWaalsContact CE2-CG2 3.46Å; F272-V298 HydrophobicContact CZ-CB 4.04Å; F272-V298 HydrophobicContact CZ-CG2 3.68Å
273	I	98.9	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.3	171	-58.1	-177.4	0	0	0	108.7	L209 L211 F270 A285 L289 T296 Y297 V298	L209-I273 HydrophobicContact CB-CG1 3.99Å; L209-I273 HydrophobicContact CB-CG2 4.41Å; L209-I273 HydrophobicContact CD2-CD1 4.06Å; L209-I273 HydrophobicContact CD2-CG1 4.25Å; L209-I273 HydrophobicContact CD2-CG2 4.36Å; L209-I273 WeakPolarHBondContact O-CA 3.31Å; L211-I273 HydrophobicContact CD1-CG2 4.23Å; L211-I273 HydrophobicContact CG-CG2 4.3Å; F270-I273 HydrophobicContact CB-CG1 4.27Å; I273-A285 HydrophobicContact CD1-CB 4.43Å; I273-A285 WeakPolarHBondContact CD1-O 3.44Å; I273-L289 HydrophobicContact CB-CD2 4.47Å; I273-L289 HydrophobicContact CD1-CD1 4.29Å; I273-L289 HydrophobicContact CD1-CD2 4.09Å; I273-L289 HydrophobicContact CD1-CG 3.68Å; I273-L289 HydrophobicContact CG1-CD1 4.44Å; I273-L289 HydrophobicContact CG1-CD2 3.68Å; I273-L289 HydrophobicContact CG1-CG 3.86Å; I273-T296 PolarHBondContact N-O 3.34Å; I273-Y297 HydrophobicContact CB-CD2 3.79Å; I273-Y297 HydrophobicContact CB-CE2 4.32Å; I273-Y297 HydrophobicContact CD1-CD2 4.32Å; I273-Y297 HydrophobicContact CG2-CD2 3.79Å; I273-Y297 HydrophobicContact CG2-CE2 3.79Å; I273-V298 PolarHBondContact O-N 2.91Å
274	L	98.9	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117	167.1	-178.3	63	0	0	0	109.7	A191 I192 L209 I210 L211 V217 A221 F272 L300	A191-L274 HydrophobicContact CB-CD1 3.58Å; I192-L274 HydrophobicContact CD1-CD2 4.4Å; I192-L274 HydrophobicContact CG1-CD2 4.47Å; L209-L274 PolarHBondContact O-N 2.9Å; I210-L274 HydrophobicContact CG2-CD2 4.48Å; L211-L274 PolarHBondContact N-O 3.35Å; V217-L274 HydrophobicContact CG1-CD2 4.49Å; A221-L274 HydrophobicContact CB-CD2 3.68Å; F272-L274 HydrophobicContact CE1-CB 3.92Å; L274-L300 HydrophobicContact CD1-CD1 4.08Å; L274-L300 HydrophobicContact CD1-CG 4.41Å
275	D	98.8	Very high	97	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.4	176.9	-170.4	4.9	0	0	0	112.8	L211 V277 G278 T281 Y297 V298 T299 L300	L211-D275 HydrophobicContact CD1-CB 4.25Å; D275-V277 WeakPolarHBondContact OD1-CA 3.38Å; D275-V277 PolarHBondContact OD1-N 2.99Å; D275-G278 PolarHBondContact OD1-N 3.27Å; D275-G278 WeakPolarHBondContact OD2-CA 3.11Å; D275-G278 PolarHBondContact OD2-N 2.94Å; D275-T281 VanDerWaalsContact OD2-CB 3.28Å; D275-T281 WeakPolarHBondContact OD2-CB 3.36Å; D275-T281 PolarHBondContact OD2-OG1 3.01Å; D275-Y297 HydrophobicContact CB-CE1 4.41Å; D275-Y297 HydrophobicContact CB-CE2 4.14Å; D275-Y297 WeakPolarHBondContact CB-OH 3.22Å; D275-Y297 PolarHBondContact OD2-OH 3.08Å; D275-V298 PolarHBondContact N-O 2.88Å; D275-T299 WeakPolarHBondContact O-CA 3.4Å; D275-L300 PolarHBondContact O-N 2.68Å
276	N	98.1	Very high	97.2	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	25%	0.249	C	C	.	.	S	Bend	trans	-104.5	3.1	174	-55.6	-89.9	0	0	0	113.2	L211 V217 L300 V301	L211-N276 VanDerWaalsContact O-CB 3.31Å; L211-N276 WeakPolarHBondContact O-CB 3.32Å; L211-N276 PolarHBondContact O-N 2.78Å; L211-N276 VanDerWaalsContact O-N 3.17Å; L211-N276 PolarHBondContact O-ND2 3.33Å; V217-N276 WeakPolarHBondContact CB-OD1 3.4Å; V217-N276 WeakPolarHBondContact CG1-OD1 3.48Å; N276-L300 VanDerWaalsContact OD1-CD1 3.26Å; N276-L300 WeakPolarHBondContact OD1-CD1 3.11Å; N276-V301 WeakPolarHBondContact O-CG2 3.36Å
277	V	97.4	Very high	97.3	Very high	82 Å²	82	40.6 Å²	40.6	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-106.8	-47.3	-174.9	-178.8	0	0	0	0	110.4	L211 D275 T281	L211-V277 HydrophobicContact CB-CG2 4.28Å; D275-V277 WeakPolarHBondContact OD1-CA 3.38Å; D275-V277 PolarHBondContact OD1-N 2.99Å; V277-T281 HydrophobicContact CB-CG2 3.9Å; V277-T281 HydrophobicContact CG1-CG2 3.95Å
278	G	94.2	Very high	97.4	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	23%	0.23	C	C	.	.			trans	64.8	-168.3	-178.5	0	0	0	0	0	114.5	D275 S280 T281	D275-G278 PolarHBondContact OD1-N 3.27Å; D275-G278 WeakPolarHBondContact OD2-CA 3.11Å; D275-G278 PolarHBondContact OD2-N 2.94Å; G278-S280 PolarHBondContact O-N 3.02Å; G278-T281 VanDerWaalsContact CA-OG1 3.23Å; G278-T281 WeakPolarHBondContact CA-OG1 3.48Å; G278-T281 PolarHBondContact N-OG1 2.67Å; G278-T281 PolarHBondContact O-OG1 3.25Å
279	G	95.1	Very high	97.4	Very high	58 Å²	58	32.4 Å²	32.4	60%	0.598	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	71.8	-117.6	-179.7	0	0	0	0	0	111.8	T281	G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.31Å
280	S	94.6	Very high	97.4	Very high	88 Å²	88	32.6 Å²	32.6	62%	0.615	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-71.6	-16.5	-176.9	58	0	0	0	0	113.8	G278 E282 T283 W284	G278-S280 PolarHBondContact O-N 3.02Å; S280-E282 PolarHBondContact O-N 2.88Å; S280-T283 PolarHBondContact O-N 2.81Å; S280-T283 VanDerWaalsContact O-N 3.12Å; S280-T283 PolarHBondContact O-OG1 2.78Å; S280-W284 PolarHBondContact O-NE1 2.98Å
281	T	96.3	Very high	97.4	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.049	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-54.9	-37.5	174.3	49.7	0	0	0	0	112.8	L211 D275 V277 G278 G279 T283 W284 A285	L211-T281 HydrophobicContact CD1-CG2 4Å; D275-T281 VanDerWaalsContact OD2-CB 3.28Å; D275-T281 WeakPolarHBondContact OD2-CB 3.36Å; D275-T281 PolarHBondContact OD2-OG1 3.01Å; V277-T281 HydrophobicContact CB-CG2 3.9Å; V277-T281 HydrophobicContact CG1-CG2 3.95Å; G278-T281 VanDerWaalsContact CA-OG1 3.23Å; G278-T281 WeakPolarHBondContact CA-OG1 3.48Å; G278-T281 PolarHBondContact N-OG1 2.67Å; G278-T281 PolarHBondContact O-OG1 3.25Å; G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.31Å; T281-T283 PolarHBondContact O-N 3.4Å; T281-T283 VanDerWaalsContact O-N 3.16Å; T281-W284 HydrophobicContact CG2-CZ2 4Å; T281-W284 PolarHBondContact O-N 2.88Å; T281-A285 WeakPolarHBondContact O-CB 3.29Å; T281-A285 PolarHBondContact O-N 2.81Å
282	E	95.6	Very high	97.4	Very high	24 Å²	24	43.9 Å²	43.9	11%	0.112	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.9	-178.7	-65.7	-167.2	-137.3	0	0	113.6	S280 P286 Y297 K327 Y338	S280-E282 PolarHBondContact O-N 2.88Å; E282-P286 WeakPolarHBondContact O-CD 3.38Å; E282-P286 WeakPolarHBondContact O-CG 3.32Å; E282-Y297 HydrophobicContact CG-CE1 4.32Å; E282-Y297 WeakPolarHBondContact CG-OH 3.38Å; E282-K327 IonicContact OE1-NZ 3.54Å; E282-K327 PolarHBondContact OE1-NZ 3.09Å; E282-K327 WeakPolarHBondContact OE2-CD 3.32Å; E282-K327 WeakPolarHBondContact OE2-CE 3.33Å; E282-K327 IonicContact OE2-NZ 2.69Å; E282-K327 PolarHBondContact OE2-NZ 3.17Å; E282-Y338 HydrophobicContact CG-CE2 4.49Å; E282-Y338 PolarHBondContact OE1-OH 3.24Å; E282-Y338 VanDerWaalsContact OE2-CE2 3.29Å; E282-Y338 WeakPolarHBondContact OE2-CE2 3.38Å; E282-Y338 PolarHBondContact OE2-OH 2.72Å
283	T	95.8	Very high	97.4	Very high	107 Å²	107	47 Å²	47	66%	0.656	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-81	-19.9	-177.4	70.7	0	0	0	0	113.1	S280 T281	S280-T283 PolarHBondContact O-N 2.81Å; S280-T283 VanDerWaalsContact O-N 3.12Å; S280-T283 PolarHBondContact O-OG1 2.78Å; T281-T283 PolarHBondContact O-N 3.4Å; T281-T283 VanDerWaalsContact O-N 3.16Å
284	W	95.9	Very high	97.3	Very high	64 Å²	64	49 Å²	49	24%	0.242	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-37.2	-175.2	58.4	-96.5	0	0	0	113.4	L211 V260 L264 S280 T281 D287 F288	L211-W284 HydrophobicContact CD1-CH2 4.25Å; L211-W284 HydrophobicContact CD2-CH2 3.94Å; V260-W284 HydrophobicContact CG1-CH2 4.32Å; L264-W284 HydrophobicContact CD1-CE3 4.18Å; L264-W284 HydrophobicContact CD1-CH2 4.33Å; L264-W284 HydrophobicContact CD1-CZ3 3.48Å; L264-W284 VanDerWaalsContact CD1-CZ3 3.48Å; S280-W284 PolarHBondContact O-NE1 2.98Å; T281-W284 HydrophobicContact CG2-CZ2 4Å; T281-W284 PolarHBondContact O-N 2.88Å; W284-D287 PolarHBondContact O-N 2.86Å; W284-D287 VanDerWaalsContact O-N 3.16Å; W284-F288 HydrophobicContact CE3-CD2 4.15Å; W284-F288 AromaticContact CE3-CE2 3.86Å; W284-F288 HydrophobicContact CE3-CE2 3.86Å; W284-F288 HydrophobicContact CZ3-CE2 4.46Å; W284-F288 WeakPolarHBondContact O-CD2 3.2Å
285	A	97.8	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61.2	-42.1	-173.7	0	0	0	0	0	113.8	L211 I273 T281 D287 F288 Y297	L211-A285 HydrophobicContact CD1-CB 3.76Å; I273-A285 HydrophobicContact CD1-CB 4.43Å; I273-A285 WeakPolarHBondContact CD1-O 3.44Å; T281-A285 WeakPolarHBondContact O-CB 3.29Å; T281-A285 PolarHBondContact O-N 2.81Å; A285-D287 PolarHBondContact O-N 3.02Å; A285-D287 VanDerWaalsContact O-N 3.07Å; A285-F288 PolarHBondContact O-N 2.91Å; A285-F288 VanDerWaalsContact O-N 3.09Å; A285-Y297 HydrophobicContact CB-CE2 4.03Å
286	P	98.3	Very high	97.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-62.5	-15.7	178.9	-24.3	35.6	0	0	0	115	E282 F288 K291 Y297	E282-P286 WeakPolarHBondContact O-CD 3.38Å; E282-P286 WeakPolarHBondContact O-CG 3.32Å; P286-F288 VanDerWaalsContact C-N 3.28Å; P286-K291 PolarHBondContact O-NZ 3.46Å; P286-Y297 HydrophobicContact CB-CD2 4.46Å; P286-Y297 HydrophobicContact CG-CD2 3.89Å; P286-Y297 HydrophobicContact CG-CE2 3.95Å; P286-Y297 HydrophobicContact CG-CG 4.25Å
287	D	97.9	Very high	97.3	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.444	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-77	-17.2	178	-66.4	-30.9	0	0	0	112.4	W284 A285 K291 K334	W284-D287 PolarHBondContact O-N 2.86Å; W284-D287 VanDerWaalsContact O-N 3.16Å; A285-D287 PolarHBondContact O-N 3.02Å; A285-D287 VanDerWaalsContact O-N 3.07Å; D287-K291 IonicContact OD1-NZ 2.61Å; D287-K334 IonicContact OD1-NZ 3.36Å
288	F	98.5	Very high	97.4	Very high	23 Å²	23	44.2 Å²	44.2	10%	0.101	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-86.3	-1.5	174.5	-64	-76.7	0	0	0	114.6	E261 L264 K265 P269 F270 W284 A285 P286	E261-F288 HydrophobicContact CG-CE2 4.31Å; E261-F288 HydrophobicContact CG-CZ 3.73Å; L264-F288 HydrophobicContact CB-CD1 3.68Å; L264-F288 HydrophobicContact CB-CD2 4.37Å; L264-F288 HydrophobicContact CB-CE1 3.37Å; L264-F288 HydrophobicContact CB-CE2 4.11Å; L264-F288 HydrophobicContact CB-CG 4.16Å; L264-F288 HydrophobicContact CB-CZ 3.6Å; L264-F288 HydrophobicContact CD1-CD2 4.06Å; L264-F288 HydrophobicContact CD1-CE2 3.91Å; L264-F288 HydrophobicContact CD1-CG 4.49Å; L264-F288 HydrophobicContact CD1-CZ 4.2Å; K265-F288 HydrophobicContact CB-CE1 4.48Å; K265-F288 HydrophobicContact CG-CE1 3.78Å; K265-F288 HydrophobicContact CG-CZ 4.23Å; P269-F288 WeakPolarHBondContact CA-O 3.31Å; P269-F288 WeakPolarHBondContact CB-O 3.48Å; F270-F288 HydrophobicContact CD2-CB 3.9Å; F270-F288 WeakPolarHBondContact CD2-O 3.25Å; F270-F288 HydrophobicContact CE2-CB 4.16Å; F270-F288 PolarHBondContact N-O 3.11Å; W284-F288 HydrophobicContact CE3-CD2 4.15Å; W284-F288 AromaticContact CE3-CE2 3.86Å; W284-F288 HydrophobicContact CE3-CE2 3.86Å; W284-F288 HydrophobicContact CZ3-CE2 4.46Å; W284-F288 WeakPolarHBondContact O-CD2 3.2Å; A285-F288 PolarHBondContact O-N 2.91Å; A285-F288 VanDerWaalsContact O-N 3.09Å; P286-F288 VanDerWaalsContact C-N 3.28Å
289	L	98.8	Very high	97.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-77.2	145.5	172.7	-78.8	168.1	0	0	0	111.5	F270 I273 K291 A295 V336	F270-L289 HydrophobicContact CB-CD2 4.34Å; F270-L289 CarbonylContact O-C 3.49Å; F270-L289 WeakPolarHBondContact O-CA 3.45Å; F270-L289 WeakPolarHBondContact O-CD2 3.49Å; I273-L289 HydrophobicContact CB-CD2 4.47Å; I273-L289 HydrophobicContact CD1-CD1 4.29Å; I273-L289 HydrophobicContact CD1-CD2 4.09Å; I273-L289 HydrophobicContact CD1-CG 3.68Å; I273-L289 HydrophobicContact CG1-CD1 4.44Å; I273-L289 HydrophobicContact CG1-CD2 3.68Å; I273-L289 HydrophobicContact CG1-CG 3.86Å; L289-K291 WeakPolarHBondContact O-CD 3.3Å; L289-K291 PolarHBondContact O-N 2.76Å; L289-A295 HydrophobicContact CB-CB 4.17Å; L289-A295 HydrophobicContact CD2-CB 3.87Å; L289-V336 HydrophobicContact CB-CB 4.46Å; L289-V336 HydrophobicContact CB-CG1 3.73Å; L289-V336 HydrophobicContact CD1-CB 4.17Å; L289-V336 HydrophobicContact CD1-CG1 4.33Å; L289-V336 HydrophobicContact CD1-CG2 4.46Å
290	K	98.6	Very high	97.8	Very high	67 Å²	67	42.9 Å²	42.9	29%	0.291	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-61.9	117.8	170.3	-71.2	179.7	-166.5	165.4	0	110.3	P269 F270 D271 S293 A295	P269-K290 HydrophobicContact CB-CG 3.67Å; P269-K290 HydrophobicContact CG-CG 3.62Å; P269-K290 VanDerWaalsContact O-CE 3.3Å; P269-K290 WeakPolarHBondContact O-CE 3.34Å; F270-K290 PolarHBondContact O-N 2.68Å; D271-K290 WeakPolarHBondContact OD1-CD 3.18Å; D271-K290 WeakPolarHBondContact OD1-CE 3.4Å; D271-K290 IonicContact OD1-NZ 3.83Å; D271-K290 PolarHBondContact OD1-NZ 2.98Å; D271-K290 IonicContact OD2-NZ 3.17Å; D271-K290 PolarHBondContact OD2-NZ 2.78Å; K290-S293 WeakPolarHBondContact CB-OG 3.48Å; K290-S293 PolarHBondContact O-OG 2.99Å; K290-A295 HydrophobicContact CB-CB 4.13Å; K290-A295 WeakPolarHBondContact O-CB 3.45Å
291	K	98.6	Very high	97.9	Very high	75 Å²	75	41.6 Å²	41.6	33%	0.326	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	147	179.2	-49.4	-50.2	-168.3	172.7	0	110.9	P286 D287 L289 S293 K334 V336	P286-K291 PolarHBondContact O-NZ 3.46Å; D287-K291 IonicContact OD1-NZ 2.61Å; L289-K291 WeakPolarHBondContact O-CD 3.3Å; L289-K291 PolarHBondContact O-N 2.76Å; K291-S293 PolarHBondContact O-N 3.42Å; K291-K334 VanDerWaalsContact CD-O 3.31Å; K291-K334 WeakPolarHBondContact CD-O 3.25Å; K291-V336 HydrophobicContact CD-CG1 3.57Å
292	W	98.4	Very high	97.9	Very high	193 Å²	193	42.1 Å²	42.1	73%	0.731	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.6	172.7	-46.6	108.7	0	0	0	115	G335	W292-G335 VanDerWaalsContact CE3-CA 3.48Å; W292-G335 PolarHBondContact N-O 3.49Å
293	S	98.2	Very high	97.9	Very high	67 Å²	67	42.8 Å²	42.8	47%	0.469	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	5.2	-176.3	65.1	0	0	0	0	114.1	K290 K291 A295	K290-S293 WeakPolarHBondContact CB-OG 3.48Å; K290-S293 PolarHBondContact O-OG 2.99Å; K291-S293 PolarHBondContact O-N 3.42Å; S293-A295 VanDerWaalsContact C-N 3.28Å
294	G	97.9	Very high	98	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	9.7	-169.9	0	0	0	0	0	113.9	T296	G294-T296 PolarHBondContact O-OG1 3.45Å; G294-T296 VanDerWaalsContact O-OG1 3.04Å
295	A	98.8	Very high	98	Very high	3 Å²	3	39 Å²	39	3%	0.025	21%	0.205	C	C	.	.			trans	-60.7	138.3	178.5	0	0	0	0	0	111.6	D271 L289 K290 S293 H337	D271-A295 WeakPolarHBondContact O-CA 3.27Å; D271-A295 WeakPolarHBondContact O-CB 3.29Å; L289-A295 HydrophobicContact CB-CB 4.17Å; L289-A295 HydrophobicContact CD2-CB 3.87Å; K290-A295 HydrophobicContact CB-CB 4.13Å; K290-A295 WeakPolarHBondContact O-CB 3.45Å; S293-A295 VanDerWaalsContact C-N 3.28Å; A295-H337 PolarHBondContact O-N 2.69Å
296	T	98.9	Very high	97.9	Very high	15 Å²	15	41.9 Å²	41.9	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.6	-165.4	-59.7	0	0	0	0	112.2	D271 F272 I273 G294 V298 H337 R339	D271-T296 PolarHBondContact O-N 3.23Å; D271-T296 VanDerWaalsContact O-N 3.08Å; F272-T296 WeakPolarHBondContact CA-O 3.23Å; F272-T296 WeakPolarHBondContact CD2-O 3.43Å; F272-T296 HydrophobicContact CE2-CG2 4.42Å; I273-T296 PolarHBondContact N-O 3.34Å; G294-T296 PolarHBondContact O-OG1 3.45Å; G294-T296 VanDerWaalsContact O-OG1 3.04Å; T296-V298 HydrophobicContact CG2-CG2 3.78Å; T296-H337 HydrophobicContact CG2-CB 4.03Å; T296-R339 HydrophobicContact CG2-CG 4.24Å
297	Y	98.9	Very high	97.9	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.1	169.4	-175	-92.6	0	0	0	109.3	I273 D275 E282 A285 P286 T299 H337 Y338 R339	I273-Y297 HydrophobicContact CB-CD2 3.79Å; I273-Y297 HydrophobicContact CB-CE2 4.32Å; I273-Y297 HydrophobicContact CD1-CD2 4.32Å; I273-Y297 HydrophobicContact CG2-CD2 3.79Å; I273-Y297 HydrophobicContact CG2-CE2 3.79Å; D275-Y297 HydrophobicContact CB-CE1 4.41Å; D275-Y297 HydrophobicContact CB-CE2 4.14Å; D275-Y297 WeakPolarHBondContact CB-OH 3.22Å; D275-Y297 PolarHBondContact OD2-OH 3.08Å; E282-Y297 HydrophobicContact CG-CE1 4.32Å; E282-Y297 WeakPolarHBondContact CG-OH 3.38Å; A285-Y297 HydrophobicContact CB-CE2 4.03Å; P286-Y297 HydrophobicContact CB-CD2 4.46Å; P286-Y297 HydrophobicContact CG-CD2 3.89Å; P286-Y297 HydrophobicContact CG-CE2 3.95Å; P286-Y297 HydrophobicContact CG-CG 4.25Å; Y297-T299 HydrophobicContact CE1-CG2 4.21Å; Y297-H337 PolarHBondContact N-O 2.97Å; Y297-Y338 AromaticContact CD1-CD2 3.46Å; Y297-Y338 HydrophobicContact CD1-CD2 3.46Å; Y297-Y338 VanDerWaalsContact CD1-CD2 3.46Å; Y297-Y338 AromaticContact CD1-CE2 3.61Å; Y297-Y338 HydrophobicContact CD1-CE2 3.61Å; Y297-Y338 HydrophobicContact CD1-CG 4.37Å; Y297-Y338 AromaticContact CE1-CD2 3.91Å; Y297-Y338 HydrophobicContact CE1-CD2 3.91Å; Y297-Y338 AromaticContact CE1-CE2 3.56Å; Y297-Y338 HydrophobicContact CE1-CE2 3.56Å; Y297-Y338 HydrophobicContact CG-CD2 4.34Å; Y297-R339 PolarHBondContact O-N 2.97Å
298	V	98.9	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.6	176.1	-174.3	0	0	0	0	109.5	A191 V195 F272 I273 D275 T296 R339 A341	A191-V298 HydrophobicContact CB-CG1 3.81Å; V195-V298 HydrophobicContact CB-CG1 4.42Å; V195-V298 HydrophobicContact CG1-CG1 3.96Å; V195-V298 HydrophobicContact CG1-CG2 4.04Å; F272-V298 HydrophobicContact CE2-CB 4.28Å; F272-V298 HydrophobicContact CE2-CG2 3.46Å; F272-V298 VanDerWaalsContact CE2-CG2 3.46Å; F272-V298 HydrophobicContact CZ-CB 4.04Å; F272-V298 HydrophobicContact CZ-CG2 3.68Å; I273-V298 PolarHBondContact O-N 2.91Å; D275-V298 PolarHBondContact N-O 2.88Å; T296-V298 HydrophobicContact CG2-CG2 3.78Å; V298-R339 WeakPolarHBondContact CA-O 3.41Å; V298-R339 HydrophobicContact CG2-CB 4.31Å; V298-A341 HydrophobicContact CG1-CB 3.51Å
299	T	98.8	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.7	173.4	-177.5	0	0	0	0	111.8	D275 Y297 V301 T302 R339 W340 A341	D275-T299 WeakPolarHBondContact O-CA 3.4Å; Y297-T299 HydrophobicContact CE1-CG2 4.21Å; T299-V301 PolarHBondContact OG1-N 2.95Å; T299-V301 VanDerWaalsContact OG1-N 3.15Å; T299-V301 PolarHBondContact OG1-O 3.35Å; T299-T302 HydrophobicContact CG2-CG2 4.49Å; T299-R339 PolarHBondContact N-O 3.01Å; T299-W340 VanDerWaalsContact CG2-CD1 3.47Å; T299-A341 PolarHBondContact O-N 3.31Å
300	L	98.3	Very high	97.6	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.178	24%	0.24	C	C	.	.	S	Bend	trans	-95.3	-9.3	172.6	-72.8	167.8	0	0	0	112.3	T187 A191 V217 L274 D275 N276 A341	T187-L300 HydrophobicContact CG2-CD1 3.66Å; T187-L300 HydrophobicContact CG2-CD2 3.47Å; T187-L300 VanDerWaalsContact CG2-CD2 3.47Å; T187-L300 HydrophobicContact CG2-CG 4.16Å; A191-L300 HydrophobicContact CB-CD1 4.34Å; A191-L300 HydrophobicContact CB-CD2 4.08Å; A191-L300 HydrophobicContact CB-CG 4.24Å; V217-L300 HydrophobicContact CG1-CD1 3.76Å; L274-L300 HydrophobicContact CD1-CD1 4.08Å; L274-L300 HydrophobicContact CD1-CG 4.41Å; D275-L300 PolarHBondContact O-N 2.68Å; N276-L300 VanDerWaalsContact OD1-CD1 3.26Å; N276-L300 WeakPolarHBondContact OD1-CD1 3.11Å; L300-A341 HydrophobicContact CD2-CB 3.8Å
301	V	97.4	Very high	97.4	Very high	62 Å²	62	49 Å²	49	38%	0.376	25%	0.248	S	C	.	.			trans	-102.4	96.9	-178.3	-176.7	0	0	0	0	108.5	N276 T299	N276-V301 WeakPolarHBondContact O-CG2 3.36Å; T299-V301 PolarHBondContact OG1-N 2.95Å; T299-V301 VanDerWaalsContact OG1-N 3.15Å; T299-V301 PolarHBondContact OG1-O 3.35Å
302	T	96.5	Very high	97.3	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	24%	0.24	C	C	.	.			trans	-123.8	150.8	-175.2	77	0	0	0	0	111.1	T299 F304 W340 F342	T299-T302 HydrophobicContact CG2-CG2 4.49Å; T302-F304 PolarHBondContact O-N 3.49Å; T302-F304 WeakPolarHBondContact OG1-CB 3.47Å; T302-F304 PolarHBondContact OG1-N 2.82Å; T302-W340 HydrophobicContact CG2-CB 3.84Å; T302-W340 HydrophobicContact CG2-CD2 3.56Å; T302-W340 HydrophobicContact CG2-CE3 4.11Å; T302-W340 HydrophobicContact CG2-CG 3.43Å; T302-W340 VanDerWaalsContact CG2-CG 3.43Å; T302-F342 HydrophobicContact CG2-CE1 4.38Å; T302-F342 HydrophobicContact CG2-CZ 4.27Å; T302-F342 WeakPolarHBondContact OG1-CE1 3.26Å
303	P	95.7	Very high	97	Very high	37 Å²	37	39.2 Å²	39.2	24%	0.24	22%	0.219	C	C	.	.	S	Bend	trans	-78.1	9.5	175.8	34.5	-36.9	0	0	0	112.8	L305 L306 N307 W340	P303-L305 PolarHBondContact O-N 3.48Å; P303-L306 PolarHBondContact O-N 3.08Å; P303-N307 VanDerWaalsContact O-CB 3.31Å; P303-N307 WeakPolarHBondContact O-CB 3.28Å; P303-N307 VanDerWaalsContact O-CG 3.22Å; P303-N307 PolarHBondContact O-N 2.91Å; P303-W340 HydrophobicContact CG-CH2 4.04Å; P303-W340 HydrophobicContact CG-CZ2 4.22Å
304	F	96.6	Very high	96.9	Very high	58 Å²	58	39.7 Å²	39.7	25%	0.254	23%	0.226	S	C	.	.	H	α-helix	trans	-54.4	-56.6	-168.5	-178.7	-106.3	0	0	0	113.8	T302 M308 M317 F342	T302-F304 PolarHBondContact O-N 3.49Å; T302-F304 WeakPolarHBondContact OG1-CB 3.47Å; T302-F304 PolarHBondContact OG1-N 2.82Å; F304-M308 HydrophobicContact CD1-CE 3.66Å; F304-M308 HydrophobicContact CD2-CE 4.41Å; F304-M308 HydrophobicContact CE1-CE 3.35Å; F304-M308 HydrophobicContact CE2-CE 4.15Å; F304-M308 HydrophobicContact CG-CE 4.19Å; F304-M308 HydrophobicContact CZ-CE 3.63Å; F304-M308 WeakPolarHBondContact O-CE 3.33Å; F304-M308 PolarHBondContact O-N 2.9Å; F304-M317 HydrophobicContact CE2-CE 4.09Å; F304-M317 HydrophobicContact CE2-SD 3.52Å; F304-M317 VanDerWaalsContact CE2-SD 3.52Å; F304-M317 HydrophobicContact CZ-CE 3.65Å; F304-M317 HydrophobicContact CZ-SD 3.75Å; F304-F342 HydrophobicContact CB-CE1 3.91Å; F304-F342 HydrophobicContact CB-CZ 3.97Å; F304-F342 HydrophobicContact CD1-CE1 4.13Å; F304-F342 HydrophobicContact CD1-CZ 4.38Å; F304-F342 HydrophobicContact CG-CE1 4.13Å; F304-F342 HydrophobicContact CG-CZ 4.07Å
305	L	96.1	Very high	96.8	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-37.1	177.5	-65.5	176.1	0	0	0	111.8	Y94 A98 P303 N307 M308 D309	Y94-L305 HydrophobicContact CD1-CD1 4.26Å; Y94-L305 HydrophobicContact CE1-CB 4.03Å; Y94-L305 HydrophobicContact CE1-CD1 3.49Å; Y94-L305 VanDerWaalsContact CE1-CD1 3.49Å; Y94-L305 HydrophobicContact CE1-CG 4.39Å; Y94-L305 HydrophobicContact CE2-CB 4Å; A98-L305 HydrophobicContact CB-CD2 3.67Å; P303-L305 PolarHBondContact O-N 3.48Å; L305-N307 PolarHBondContact O-N 3.49Å; L305-M308 HydrophobicContact CD2-CE 3.98Å; L305-M308 PolarHBondContact O-N 3.2Å; L305-D309 PolarHBondContact O-N 2.93Å
306	L	96.4	Very high	96.8	Very high	61 Å²	61	42.4 Å²	42.4	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-39.1	-179.4	-174.9	63.5	0	0	0	112.5	Y94 P303 M308 D309 R310	Y94-L306 HydrophobicContact CE2-CB 4.26Å; P303-L306 PolarHBondContact O-N 3.08Å; L306-M308 VanDerWaalsContact C-N 3.34Å; L306-D309 PolarHBondContact O-N 3.07Å; L306-R310 HydrophobicContact CD1-CG 4.4Å; L306-R310 WeakPolarHBondContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.09Å; L306-R310 PolarHBondContact O-N 2.75Å
307	N	97.2	Very high	96.7	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-43.5	176.8	-77.5	-13.5	0	0	0	110.4	P303 L305 R310 L311 S320	P303-N307 VanDerWaalsContact O-CB 3.31Å; P303-N307 WeakPolarHBondContact O-CB 3.28Å; P303-N307 VanDerWaalsContact O-CG 3.22Å; P303-N307 PolarHBondContact O-N 2.91Å; L305-N307 PolarHBondContact O-N 3.49Å; N307-R310 PolarHBondContact O-N 2.78Å; N307-L311 WeakPolarHBondContact O-CB 3.39Å; N307-L311 PolarHBondContact O-N 3.14Å; N307-S320 PolarHBondContact ND2-OG 3.06Å
308	M	96.7	Very high	96.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-39.5	176	-72.1	-174.2	-83.7	0	0	112.5	K97 A98 F304 L305 L306 R310 G312 V313 M317	K97-M308 VanDerWaalsContact CD-O 3.26Å; K97-M308 WeakPolarHBondContact CD-O 3.44Å; A98-M308 HydrophobicContact CB-CB 4.44Å; A98-M308 HydrophobicContact CB-CE 3.44Å; A98-M308 VanDerWaalsContact CB-CE 3.44Å; A98-M308 HydrophobicContact CB-SD 3.63Å; F304-M308 HydrophobicContact CD1-CE 3.66Å; F304-M308 HydrophobicContact CD2-CE 4.41Å; F304-M308 HydrophobicContact CE1-CE 3.35Å; F304-M308 HydrophobicContact CE2-CE 4.15Å; F304-M308 HydrophobicContact CG-CE 4.19Å; F304-M308 HydrophobicContact CZ-CE 3.63Å; F304-M308 WeakPolarHBondContact O-CE 3.33Å; F304-M308 PolarHBondContact O-N 2.9Å; L305-M308 HydrophobicContact CD2-CE 3.98Å; L305-M308 PolarHBondContact O-N 3.2Å; L306-M308 VanDerWaalsContact C-N 3.34Å; M308-R310 PolarHBondContact O-N 2.85Å; M308-G312 WeakPolarHBondContact CA-O 3.17Å; M308-G312 CarbonylContact O-C 3.34Å; M308-G312 WeakPolarHBondContact O-CA 3.45Å; M308-G312 PolarHBondContact O-N 2.94Å; M308-V313 HydrophobicContact SD-CG1 4.38Å; M308-M317 HydrophobicContact CE-CE 4.14Å; M308-M317 HydrophobicContact CG-CG 4.45Å; M308-M317 HydrophobicContact SD-CE 3.67Å; M308-M317 HydrophobicContact SD-CG 4.11Å; M308-M317 HydrophobicContact SD-SD 4.18Å
309	D	95.5	Very high	96.5	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-45.3	175	-70.8	-21.8	0	0	0	111.6	G95 A96 K97 L305 L306	G95-D309 WeakPolarHBondContact CA-OD1 3.43Å; G95-D309 WeakPolarHBondContact CA-OD2 3.27Å; G95-D309 PolarHBondContact N-OD1 3.18Å; G95-D309 PolarHBondContact N-OD2 3.21Å; A96-D309 PolarHBondContact N-OD1 2.68Å; K97-D309 WeakPolarHBondContact CE-O 3.15Å; K97-D309 PolarHBondContact NZ-O 2.97Å; L305-D309 PolarHBondContact O-N 2.93Å; L306-D309 PolarHBondContact O-N 3.07Å
310	R	96.7	Very high	96.5	Very high	185 Å²	185	55.3 Å²	55.3	70%	0.698	30%	0.295	S	S	*	.	H	α-helix	trans	-74.5	-46.6	-177	-72.4	-179.2	177.1	-175	-0.7	113.6	L306 N307 M308	L306-R310 HydrophobicContact CD1-CG 4.4Å; L306-R310 WeakPolarHBondContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.09Å; L306-R310 PolarHBondContact O-N 2.75Å; N307-R310 PolarHBondContact O-N 2.78Å; M308-R310 PolarHBondContact O-N 2.85Å
311	L	96.1	Very high	96.4	Very high	85 Å²	85	55.6 Å²	55.6	45%	0.445	31%	0.306	S	S	.	.	H	α-helix	trans	-103.4	-10.9	-169.1	-55.5	176	0	0	0	113	N307 D315 Q319	N307-L311 WeakPolarHBondContact O-CB 3.39Å; N307-L311 PolarHBondContact O-N 3.14Å; L311-D315 HydrophobicContact CB-CB 3.92Å; L311-Q319 HydrophobicContact CD1-CB 3.79Å; L311-Q319 HydrophobicContact CD1-CG 3.98Å
312	G	95.1	Very high	96.5	Very high	17 Å²	17	59.5 Å²	59.5	18%	0.175	32%	0.318	C	S	.	.			trans	89.4	168.1	-166.7	0	0	0	0	0	111.9	M308 G316	M308-G312 WeakPolarHBondContact CA-O 3.17Å; M308-G312 CarbonylContact O-C 3.34Å; M308-G312 WeakPolarHBondContact O-CA 3.45Å; M308-G312 PolarHBondContact O-N 2.94Å; G312-G316 VanDerWaalsContact O-CA 3.3Å; G312-G316 WeakPolarHBondContact O-CA 3.42Å; G312-G316 PolarHBondContact O-N 3.46Å
313	V	93	Very high	96.5	Very high	46 Å²	46	59.8 Å²	59.8	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-50.2	-170.7	176.4	0	0	0	0	111.8	M101 M308 M317	M101-V313 HydrophobicContact SD-CG1 3.7Å; M308-V313 HydrophobicContact SD-CG1 4.38Å; V313-M317 VanDerWaalsContact O-CB 3.29Å; V313-M317 WeakPolarHBondContact O-CB 3.37Å; V313-M317 WeakPolarHBondContact O-CG 3.4Å; V313-M317 PolarHBondContact O-N 3.28Å
314	A	95.5	Very high	96.6	Very high	76 Å²	76	60.3 Å²	60.3	63%	0.628	32%	0.32	S	S	*	.	H	α-helix	trans	-64.7	-58.7	-176.4	0	0	0	0	0	112.1	G316 M317 L318	A314-G316 VanDerWaalsContact C-N 3.31Å; A314-G316 PolarHBondContact O-N 3Å; A314-M317 WeakPolarHBondContact O-CB 3.35Å; A314-M317 PolarHBondContact O-N 3.05Å; A314-L318 PolarHBondContact O-N 3.32Å
315	D	96.3	Very high	96.7	Very high	103 Å²	103	59.4 Å²	59.4	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-66.6	-34.1	-178.1	-64	-21.5	0	0	0	112	L311 L318 Q319	L311-D315 HydrophobicContact CB-CB 3.92Å; D315-L318 PolarHBondContact O-N 3.24Å; D315-Q319 VanDerWaalsContact O-CB 3.31Å; D315-Q319 WeakPolarHBondContact O-CB 3.43Å; D315-Q319 PolarHBondContact O-N 2.94Å
316	G	97.5	Very high	96.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-38.3	174.2	0	0	0	0	0	113.2	G312 A314 S320	G312-G316 VanDerWaalsContact O-CA 3.3Å; G312-G316 WeakPolarHBondContact O-CA 3.42Å; G312-G316 PolarHBondContact O-N 3.46Å; A314-G316 VanDerWaalsContact C-N 3.31Å; A314-G316 PolarHBondContact O-N 3Å; G316-S320 WeakPolarHBondContact O-CB 3.35Å; G316-S320 PolarHBondContact O-N 3.15Å; G316-S320 PolarHBondContact O-OG 2.81Å
317	M	96.8	Very high	96.8	Very high	82 Å²	82	59.9 Å²	59.9	40%	0.404	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-44.5	172.6	-76.4	-72.9	-164.5	0	0	111.3	F304 M308 V313 A314 S320 G321	F304-M317 HydrophobicContact CE2-CE 4.09Å; F304-M317 HydrophobicContact CE2-SD 3.52Å; F304-M317 VanDerWaalsContact CE2-SD 3.52Å; F304-M317 HydrophobicContact CZ-CE 3.65Å; F304-M317 HydrophobicContact CZ-SD 3.75Å; M308-M317 HydrophobicContact CE-CE 4.14Å; M308-M317 HydrophobicContact CG-CG 4.45Å; M308-M317 HydrophobicContact SD-CE 3.67Å; M308-M317 HydrophobicContact SD-CG 4.11Å; M308-M317 HydrophobicContact SD-SD 4.18Å; V313-M317 VanDerWaalsContact O-CB 3.29Å; V313-M317 WeakPolarHBondContact O-CB 3.37Å; V313-M317 WeakPolarHBondContact O-CG 3.4Å; V313-M317 PolarHBondContact O-N 3.28Å; A314-M317 WeakPolarHBondContact O-CB 3.35Å; A314-M317 PolarHBondContact O-N 3.05Å; M317-S320 PolarHBondContact O-N 3.19Å; M317-G321 PolarHBondContact O-N 3.04Å
318	L	97.7	Very high	96.9	Very high	127 Å²	127	60.2 Å²	60.2	67%	0.665	34%	0.337	S	S	*	.	H	α-helix	trans	-60.9	-47.8	177.4	-176.8	139.7	0	0	0	111.5	A314 D315 S320 G321 F322	A314-L318 PolarHBondContact O-N 3.32Å; D315-L318 PolarHBondContact O-N 3.24Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 2.89Å; L318-G321 PolarHBondContact O-N 2.79Å; L318-F322 PolarHBondContact O-N 2.86Å
319	Q	97.6	Very high	96.9	Very high	75 Å²	75	64.8 Å²	64.8	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-42.2	175.5	-180	58.6	66.9	0	0	111.6	L311 D315 F322 T323	L311-Q319 HydrophobicContact CD1-CB 3.79Å; L311-Q319 HydrophobicContact CD1-CG 3.98Å; D315-Q319 VanDerWaalsContact O-CB 3.31Å; D315-Q319 WeakPolarHBondContact O-CB 3.43Å; D315-Q319 PolarHBondContact O-N 2.94Å; Q319-F322 PolarHBondContact O-N 2.85Å; Q319-T323 PolarHBondContact NE2-OG1 3.01Å; Q319-T323 WeakPolarHBondContact O-CB 3.18Å; Q319-T323 PolarHBondContact O-N 2.72Å; Q319-T323 PolarHBondContact O-OG1 3.16Å
320	S	97.5	Very high	97.1	Very high	4 Å²	4	69.2 Å²	69.2	3%	0.028	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-42.5	177.3	-60.1	0	0	0	0	111.8	N307 G316 M317 L318 T323 I324	N307-S320 PolarHBondContact ND2-OG 3.06Å; G316-S320 WeakPolarHBondContact O-CB 3.35Å; G316-S320 PolarHBondContact O-N 3.15Å; G316-S320 PolarHBondContact O-OG 2.81Å; M317-S320 PolarHBondContact O-N 3.19Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 2.89Å; S320-T323 PolarHBondContact O-N 3.2Å; S320-I324 WeakPolarHBondContact O-CG2 3.23Å; S320-I324 PolarHBondContact O-N 3.12Å
321	G	97.7	Very high	97.1	Very high	40 Å²	40	60.8 Å²	60.8	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-46.3	175.2	0	0	0	0	0	112.5	M317 L318 T323 I324 G325	M317-G321 PolarHBondContact O-N 3.04Å; L318-G321 PolarHBondContact O-N 2.79Å; G321-T323 PolarHBondContact O-N 3.01Å; G321-I324 WeakPolarHBondContact O-CG2 3.33Å; G321-G325 PolarHBondContact O-N 2.89Å
322	F	97.9	Very high	97.2	Very high	144 Å²	144	62.6 Å²	62.6	63%	0.632	35%	0.352	S	S	*	.	H	α-helix	trans	-61.3	-44.4	174.7	-179	-97.1	0	0	0	112	L318 Q319 S326	L318-F322 PolarHBondContact O-N 2.86Å; Q319-F322 PolarHBondContact O-N 2.85Å; F322-S326 VanDerWaalsContact O-CB 3.32Å; F322-S326 WeakPolarHBondContact O-CB 3.33Å; F322-S326 PolarHBondContact O-N 2.94Å; F322-S326 PolarHBondContact O-OG 2.71Å
323	T	97.6	Very high	97.4	Very high	25 Å²	25	70.8 Å²	70.8	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-63.2	-49.1	178.7	-61.5	0	0	0	0	112.1	Q319 S320 G321 S326 K327 W340	Q319-T323 PolarHBondContact NE2-OG1 3.01Å; Q319-T323 WeakPolarHBondContact O-CB 3.18Å; Q319-T323 PolarHBondContact O-N 2.72Å; Q319-T323 PolarHBondContact O-OG1 3.16Å; S320-T323 PolarHBondContact O-N 3.2Å; G321-T323 PolarHBondContact O-N 3.01Å; T323-S326 PolarHBondContact O-OG 2.9Å; T323-S326 VanDerWaalsContact O-OG 3.07Å; T323-K327 HydrophobicContact CG2-CD 4.19Å; T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 VanDerWaalsContact O-CG 3.32Å; T323-K327 WeakPolarHBondContact O-CG 3.48Å; T323-K327 PolarHBondContact O-N 3.02Å; T323-K327 VanDerWaalsContact O-N 3.08Å; T323-W340 HydrophobicContact CG2-CH2 4.29Å; T323-W340 HydrophobicContact CG2-CZ2 4.01Å
324	I	97.8	Very high	97.6	Very high	47 Å²	47	72.5 Å²	72.5	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-68.8	-39.4	179.9	-172	55.2	0	0	0	111.6	S320 G321 A328 Y338 W340	S320-I324 WeakPolarHBondContact O-CG2 3.23Å; S320-I324 PolarHBondContact O-N 3.12Å; G321-I324 WeakPolarHBondContact O-CG2 3.33Å; I324-A328 WeakPolarHBondContact O-CB 3.28Å; I324-A328 PolarHBondContact O-N 3.5Å; I324-Y338 HydrophobicContact CD1-CD1 3.79Å; I324-Y338 HydrophobicContact CD1-CE1 3.62Å; I324-W340 HydrophobicContact CB-CD2 4.34Å; I324-W340 HydrophobicContact CB-CE3 4.23Å; I324-W340 HydrophobicContact CB-CH2 4.12Å; I324-W340 HydrophobicContact CB-CZ2 4.24Å; I324-W340 HydrophobicContact CB-CZ3 4.13Å; I324-W340 HydrophobicContact CD1-CD2 3.84Å; I324-W340 HydrophobicContact CD1-CE3 4.48Å; I324-W340 HydrophobicContact CD1-CG 3.82Å; I324-W340 HydrophobicContact CG1-CD2 4.25Å; I324-W340 HydrophobicContact CG1-CE3 4.42Å
325	G	97.9	Very high	97.7	Very high	40 Å²	40	69.3 Å²	69.3	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-48.7	178.6	0	0	0	0	0	112.3	G321 L329	G321-G325 PolarHBondContact O-N 2.89Å; G325-L329 WeakPolarHBondContact O-CB 3.47Å; G325-L329 PolarHBondContact O-N 2.91Å
326	S	97.8	Very high	97.8	Very high	52 Å²	52	64.5 Å²	64.5	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178	57.3	0	0	0	0	112.7	F322 T323 K330	F322-S326 VanDerWaalsContact O-CB 3.32Å; F322-S326 WeakPolarHBondContact O-CB 3.33Å; F322-S326 PolarHBondContact O-N 2.94Å; F322-S326 PolarHBondContact O-OG 2.71Å; T323-S326 PolarHBondContact O-OG 2.9Å; T323-S326 VanDerWaalsContact O-OG 3.07Å; S326-K330 VanDerWaalsContact O-CB 3.25Å; S326-K330 WeakPolarHBondContact O-CB 3.46Å; S326-K330 PolarHBondContact O-N 2.83Å
327	K	97.9	Very high	97.9	Very high	53 Å²	53	67.1 Å²	67.1	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-47.6	176.1	-73	-173.7	-179.8	-175.5	0	111.6	E282 T323 L329 K330 H331 Y338	E282-K327 IonicContact OE1-NZ 3.54Å; E282-K327 PolarHBondContact OE1-NZ 3.09Å; E282-K327 WeakPolarHBondContact OE2-CD 3.32Å; E282-K327 WeakPolarHBondContact OE2-CE 3.33Å; E282-K327 IonicContact OE2-NZ 2.69Å; E282-K327 PolarHBondContact OE2-NZ 3.17Å; T323-K327 HydrophobicContact CG2-CD 4.19Å; T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 VanDerWaalsContact O-CG 3.32Å; T323-K327 WeakPolarHBondContact O-CG 3.48Å; T323-K327 PolarHBondContact O-N 3.02Å; T323-K327 VanDerWaalsContact O-N 3.08Å; K327-L329 VanDerWaalsContact C-N 3.33Å; K327-L329 PolarHBondContact O-N 2.92Å; K327-K330 PolarHBondContact O-N 3.19Å; K327-H331 WeakPolarHBondContact O-CB 3.46Å; K327-H331 PolarHBondContact O-CD2 2.72Å; K327-H331 PolarHBondContact O-N 3.13Å; K327-Y338 HydrophobicContact CB-CD1 3.96Å; K327-Y338 HydrophobicContact CB-CE1 3.83Å; K327-Y338 HydrophobicContact CB-CG 4.47Å; K327-Y338 HydrophobicContact CD-CE1 3.93Å; K327-Y338 HydrophobicContact CD-CE2 4.28Å; K327-Y338 WeakPolarHBondContact CD-OH 3.42Å
328	A	97.9	Very high	98	Very high	27 Å²	27	63.3 Å²	63.3	22%	0.223	32%	0.323	C	S	.	.	H	α-helix	trans	-58.6	-45.4	178.8	0	0	0	0	0	111.5	I324 F332	I324-A328 WeakPolarHBondContact O-CB 3.28Å; I324-A328 PolarHBondContact O-N 3.5Å; A328-F332 VanDerWaalsContact O-CB 3.22Å; A328-F332 WeakPolarHBondContact O-CB 3.48Å; A328-F332 PolarHBondContact O-N 3.37Å
329	L	98.3	Very high	98	Very high	99 Å²	99	62 Å²	62	52%	0.518	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-55.9	175.9	-172	61.9	0	0	0	110.6	G325 K327 H331 F332 W333	G325-L329 WeakPolarHBondContact O-CB 3.47Å; G325-L329 PolarHBondContact O-N 2.91Å; K327-L329 VanDerWaalsContact C-N 3.33Å; K327-L329 PolarHBondContact O-N 2.92Å; L329-H331 VanDerWaalsContact C-N 3.26Å; L329-H331 PolarHBondContact O-N 2.93Å; L329-H331 VanDerWaalsContact O-N 3.17Å; L329-F332 WeakPolarHBondContact O-CA 3.44Å; L329-F332 WeakPolarHBondContact O-CB 3.16Å; L329-F332 PolarHBondContact O-N 3.17Å; L329-W333 PolarHBondContact O-N 3.27Å
330	K	98.1	Very high	98.1	Very high	126 Å²	126	59.7 Å²	59.7	55%	0.548	30%	0.298	S	S	.	.	H	α-helix	trans	-49.2	-45.8	179.1	177.4	-175.5	176.7	-176.3	0	112.7	S326 K327 K334	S326-K330 VanDerWaalsContact O-CB 3.25Å; S326-K330 WeakPolarHBondContact O-CB 3.46Å; S326-K330 PolarHBondContact O-N 2.83Å; K327-K330 PolarHBondContact O-N 3.19Å; K330-K334 PolarHBondContact O-N 3.45Å
331	H	98.3	Very high	98.1	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-76.4	-32.3	-178.8	-74.6	-70	0	0	0	112.7	K327 L329 K334 G335 V336 Y338	K327-H331 WeakPolarHBondContact O-CB 3.46Å; K327-H331 PolarHBondContact O-CD2 2.72Å; K327-H331 PolarHBondContact O-N 3.13Å; L329-H331 VanDerWaalsContact C-N 3.26Å; L329-H331 PolarHBondContact O-N 2.93Å; L329-H331 VanDerWaalsContact O-N 3.17Å; H331-K334 CarbonylContact O-C 3.58Å; H331-K334 WeakPolarHBondContact O-CA 3.42Å; H331-K334 WeakPolarHBondContact O-CB 3.19Å; H331-K334 PolarHBondContact O-N 3.45Å; H331-K334 VanDerWaalsContact O-N 3.08Å; H331-G335 PolarHBondContact O-N 3.44Å; H331-V336 CarbonylContact C-O 3.57Å; H331-V336 HydrophobicContact CB-CG2 4.01Å; H331-V336 PolarHBondContact O-N 2.76Å; H331-V336 VanDerWaalsContact O-N 3.11Å; H331-Y338 AromaticContact CD2-CD2 3.57Å; H331-Y338 AromaticContact CD2-CG 3.82Å; H331-Y338 AromaticContact NE2-CD2 3.92Å
332	F	97.9	Very high	98.1	Very high	123 Å²	123	61.8 Å²	61.8	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-43.6	172.1	-179.5	-100	0	0	0	112	A328 L329 K334 G335 V336	A328-F332 VanDerWaalsContact O-CB 3.22Å; A328-F332 WeakPolarHBondContact O-CB 3.48Å; A328-F332 PolarHBondContact O-N 3.37Å; L329-F332 WeakPolarHBondContact O-CA 3.44Å; L329-F332 WeakPolarHBondContact O-CB 3.16Å; L329-F332 PolarHBondContact O-N 3.17Å; F332-K334 PolarHBondContact O-N 2.97Å; F332-G335 WeakPolarHBondContact O-CA 3.36Å; F332-G335 PolarHBondContact O-N 3.42Å; F332-V336 WeakPolarHBondContact CA-O 2.99Å; F332-V336 PolarHBondContact N-O 2.85Å
333	W	97.9	Very high	98.2	Very high	188 Å²	188	56.4 Å²	56.4	71%	0.712	27%	0.272	S	S	*	.	H	α-helix	trans	-63.5	-23	173.8	-72.6	96.4	0	0	0	113.4	L329 G335	L329-W333 PolarHBondContact O-N 3.27Å; W333-G335 VanDerWaalsContact C-N 3.29Å
334	K	97.8	Very high	98.2	Very high	83 Å²	83	59.2 Å²	59.2	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.5	171.4	-68	-177.9	167.6	-159.6	0	112.9	D287 K291 K330 H331 F332	D287-K334 IonicContact OD1-NZ 3.36Å; K291-K334 VanDerWaalsContact CD-O 3.31Å; K291-K334 WeakPolarHBondContact CD-O 3.25Å; K330-K334 PolarHBondContact O-N 3.45Å; H331-K334 CarbonylContact O-C 3.58Å; H331-K334 WeakPolarHBondContact O-CA 3.42Å; H331-K334 WeakPolarHBondContact O-CB 3.19Å; H331-K334 PolarHBondContact O-N 3.45Å; H331-K334 VanDerWaalsContact O-N 3.08Å; F332-K334 PolarHBondContact O-N 2.97Å
335	G	97.9	Very high	98.2	Very high	8 Å²	8	58.5 Å²	58.5	8%	0.082	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	23.3	177.4	0	0	0	0	0	115.6	W292 H331 F332 W333	W292-G335 VanDerWaalsContact CE3-CA 3.48Å; W292-G335 PolarHBondContact N-O 3.49Å; H331-G335 PolarHBondContact O-N 3.44Å; F332-G335 WeakPolarHBondContact O-CA 3.36Å; F332-G335 PolarHBondContact O-N 3.42Å; W333-G335 VanDerWaalsContact C-N 3.29Å
336	V	98.7	Very high	98.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	27%	0.27	C	S	.	.			trans	-134.4	155.1	177.8	-58.5	0	0	0	0	111.6	L289 K291 H331 F332	L289-V336 HydrophobicContact CB-CB 4.46Å; L289-V336 HydrophobicContact CB-CG1 3.73Å; L289-V336 HydrophobicContact CD1-CB 4.17Å; L289-V336 HydrophobicContact CD1-CG1 4.33Å; L289-V336 HydrophobicContact CD1-CG2 4.46Å; K291-V336 HydrophobicContact CD-CG1 3.57Å; H331-V336 CarbonylContact C-O 3.57Å; H331-V336 HydrophobicContact CB-CG2 4.01Å; H331-V336 PolarHBondContact O-N 2.76Å; H331-V336 VanDerWaalsContact O-N 3.11Å; F332-V336 WeakPolarHBondContact CA-O 2.99Å; F332-V336 PolarHBondContact N-O 2.85Å
337	H	98.6	Very high	98.2	Very high	56 Å²	56	54.9 Å²	54.9	26%	0.259	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.6	175.5	-61.1	-48.4	0	0	0	110.9	A295 T296 Y297	A295-H337 PolarHBondContact O-N 2.69Å; T296-H337 HydrophobicContact CG2-CB 4.03Å; Y297-H337 PolarHBondContact N-O 2.97Å
338	Y	98.8	Very high	98.3	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	172.4	177.8	-79.9	0	0	0	109.5	E282 Y297 I324 K327 H331 W340	E282-Y338 HydrophobicContact CG-CE2 4.49Å; E282-Y338 PolarHBondContact OE1-OH 3.24Å; E282-Y338 VanDerWaalsContact OE2-CE2 3.29Å; E282-Y338 WeakPolarHBondContact OE2-CE2 3.38Å; E282-Y338 PolarHBondContact OE2-OH 2.72Å; Y297-Y338 AromaticContact CD1-CD2 3.46Å; Y297-Y338 HydrophobicContact CD1-CD2 3.46Å; Y297-Y338 VanDerWaalsContact CD1-CD2 3.46Å; Y297-Y338 AromaticContact CD1-CE2 3.61Å; Y297-Y338 HydrophobicContact CD1-CE2 3.61Å; Y297-Y338 HydrophobicContact CD1-CG 4.37Å; Y297-Y338 AromaticContact CE1-CD2 3.91Å; Y297-Y338 HydrophobicContact CE1-CD2 3.91Å; Y297-Y338 AromaticContact CE1-CE2 3.56Å; Y297-Y338 HydrophobicContact CE1-CE2 3.56Å; Y297-Y338 HydrophobicContact CG-CD2 4.34Å; I324-Y338 HydrophobicContact CD1-CD1 3.79Å; I324-Y338 HydrophobicContact CD1-CE1 3.62Å; K327-Y338 HydrophobicContact CB-CD1 3.96Å; K327-Y338 HydrophobicContact CB-CE1 3.83Å; K327-Y338 HydrophobicContact CB-CG 4.47Å; K327-Y338 HydrophobicContact CD-CE1 3.93Å; K327-Y338 HydrophobicContact CD-CE2 4.28Å; K327-Y338 WeakPolarHBondContact CD-OH 3.42Å; H331-Y338 AromaticContact CD2-CD2 3.57Å; H331-Y338 AromaticContact CD2-CG 3.82Å; H331-Y338 AromaticContact NE2-CD2 3.92Å; Y338-W340 AromaticContact CE1-CD1 3.68Å; Y338-W340 AromaticContact CE1-NE1 3.46Å; Y338-W340 AromaticContact CZ-NE1 3.7Å; Y338-W340 PolarHBondContact OH-NE1 2.97Å; Y338-W340 VanDerWaalsContact OH-NE1 3.11Å
339	R	98.6	Very high	98.3	Very high	99 Å²	99	57.4 Å²	57.4	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.4	-176	-59.2	-67.5	179.6	-96	1.7	112.4	V195 T296 Y297 V298 T299	V195-R339 HydrophobicContact CG1-CB 3.36Å; V195-R339 HydrophobicContact CG1-CG 3.88Å; T296-R339 HydrophobicContact CG2-CG 4.24Å; Y297-R339 PolarHBondContact O-N 2.97Å; V298-R339 WeakPolarHBondContact CA-O 3.41Å; V298-R339 HydrophobicContact CG2-CB 4.31Å; T299-R339 PolarHBondContact N-O 3.01Å
340	W	98.7	Very high	98.3	Very high	28 Å²	28	52.7 Å²	52.7	11%	0.106	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.6	165.3	-71.4	-4.3	0	0	0	109.4	T299 T302 P303 T323 I324 Y338 F342	T299-W340 VanDerWaalsContact CG2-CD1 3.47Å; T302-W340 HydrophobicContact CG2-CB 3.84Å; T302-W340 HydrophobicContact CG2-CD2 3.56Å; T302-W340 HydrophobicContact CG2-CE3 4.11Å; T302-W340 HydrophobicContact CG2-CG 3.43Å; T302-W340 VanDerWaalsContact CG2-CG 3.43Å; P303-W340 HydrophobicContact CG-CH2 4.04Å; P303-W340 HydrophobicContact CG-CZ2 4.22Å; T323-W340 HydrophobicContact CG2-CH2 4.29Å; T323-W340 HydrophobicContact CG2-CZ2 4.01Å; I324-W340 HydrophobicContact CB-CD2 4.34Å; I324-W340 HydrophobicContact CB-CE3 4.23Å; I324-W340 HydrophobicContact CB-CH2 4.12Å; I324-W340 HydrophobicContact CB-CZ2 4.24Å; I324-W340 HydrophobicContact CB-CZ3 4.13Å; I324-W340 HydrophobicContact CD1-CD2 3.84Å; I324-W340 HydrophobicContact CD1-CE3 4.48Å; I324-W340 HydrophobicContact CD1-CG 3.82Å; I324-W340 HydrophobicContact CG1-CD2 4.25Å; I324-W340 HydrophobicContact CG1-CE3 4.42Å; Y338-W340 AromaticContact CE1-CD1 3.68Å; Y338-W340 AromaticContact CE1-NE1 3.46Å; Y338-W340 AromaticContact CZ-NE1 3.7Å; Y338-W340 PolarHBondContact OH-NE1 2.97Å; Y338-W340 VanDerWaalsContact OH-NE1 3.11Å; W340-F342 HydrophobicContact CB-CE2 4.03Å; W340-F342 HydrophobicContact CB-CZ 4.32Å; W340-F342 HydrophobicContact CE3-CZ 4.09Å
341	A	98.6	Very high	98.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	23%	0.231	C	C	.	.			trans	-123.2	152.5	171.2	0	0	0	0	0	110.6	A191 V195 V298 T299 L300	A191-A341 HydrophobicContact CB-CB 3.67Å; V195-A341 HydrophobicContact CB-CB 4.19Å; V195-A341 HydrophobicContact CG1-CB 4.41Å; V195-A341 HydrophobicContact CG2-CB 3.87Å; V298-A341 HydrophobicContact CG1-CB 3.51Å; T299-A341 PolarHBondContact O-N 3.31Å; L300-A341 HydrophobicContact CD2-CB 3.8Å
342	F	98.2	Very high	98.4	Very high	86 Å²	86	52.6 Å²	52.6	38%	0.377	25%	0.247	S	C	.	.			trans	-135.4	153.4	-179.8	-61.3	-83.3	0	0	0	109.8	S190 T302 F304 W340 M344	S190-F342 WeakPolarHBondContact CB-O 3.2Å; S190-F342 PolarHBondContact OG-O 3.01Å; T302-F342 HydrophobicContact CG2-CE1 4.38Å; T302-F342 HydrophobicContact CG2-CZ 4.27Å; T302-F342 WeakPolarHBondContact OG1-CE1 3.26Å; F304-F342 HydrophobicContact CB-CE1 3.91Å; F304-F342 HydrophobicContact CB-CZ 3.97Å; F304-F342 HydrophobicContact CD1-CE1 4.13Å; F304-F342 HydrophobicContact CD1-CZ 4.38Å; F304-F342 HydrophobicContact CG-CE1 4.13Å; F304-F342 HydrophobicContact CG-CZ 4.07Å; W340-F342 HydrophobicContact CB-CE2 4.03Å; W340-F342 HydrophobicContact CB-CZ 4.32Å; W340-F342 HydrophobicContact CE3-CZ 4.09Å; F342-M344 PolarHBondContact O-N 3.25Å
343	F	98.3	Very high	98.4	Very high	31 Å²	31	46.7 Å²	46.7	14%	0.136	22%	0.221	C	C	.	.			trans	-54.6	136.8	167.2	166.1	-98	0	0	0	110.7	A146 Y183 L186 A345	A146-F343 HydrophobicContact CB-CE2 3.46Å; A146-F343 VanDerWaalsContact CB-CE2 3.46Å; A146-F343 HydrophobicContact CB-CZ 3.52Å; Y183-F343 HydrophobicContact CD2-CD1 4.28Å; Y183-F343 AromaticContact CD2-CD2 3.6Å; Y183-F343 HydrophobicContact CD2-CD2 3.6Å; Y183-F343 HydrophobicContact CD2-CE1 4.23Å; Y183-F343 AromaticContact CD2-CE2 3.55Å; Y183-F343 HydrophobicContact CD2-CE2 3.55Å; Y183-F343 AromaticContact CD2-CG 3.97Å; Y183-F343 HydrophobicContact CD2-CG 3.97Å; Y183-F343 AromaticContact CD2-CZ 3.87Å; Y183-F343 HydrophobicContact CD2-CZ 3.87Å; Y183-F343 HydrophobicContact CE2-CB 4.13Å; Y183-F343 AromaticContact CE2-CD1 3.63Å; Y183-F343 HydrophobicContact CE2-CD1 3.63Å; Y183-F343 AromaticContact CE2-CD2 3.62Å; Y183-F343 HydrophobicContact CE2-CD2 3.62Å; Y183-F343 AromaticContact CE2-CE1 3.92Å; Y183-F343 HydrophobicContact CE2-CE1 3.92Å; Y183-F343 AromaticContact CE2-CE2 3.91Å; Y183-F343 HydrophobicContact CE2-CE2 3.91Å; Y183-F343 AromaticContact CE2-CG 3.47Å; Y183-F343 HydrophobicContact CE2-CG 3.47Å; Y183-F343 VanDerWaalsContact CE2-CG 3.47Å; Y183-F343 HydrophobicContact CE2-CZ 4.04Å; Y183-F343 HydrophobicContact CG-CD2 4.15Å; Y183-F343 HydrophobicContact CG-CE2 4.25Å; Y183-F343 AromaticContact CZ-CG 3.85Å; L186-F343 HydrophobicContact CB-CD2 4.09Å; L186-F343 HydrophobicContact CB-CE2 3.89Å; L186-F343 HydrophobicContact CD1-CE2 3.97Å; F343-A345 HydrophobicContact CE1-CB 4.08Å; F343-A345 HydrophobicContact CZ-CB 3.82Å
344	M	97.4	Very high	98.5	Very high	84 Å²	84	38.2 Å²	38.2	41%	0.414	19%	0.191	S	C	.	.			trans	-134.7	122.7	170.8	-64.4	-170	-63.1	0	0	108.8	K194 F342 S346	K194-M344 HydrophobicContact CB-CE 4.19Å; K194-M344 HydrophobicContact CG-CE 4.04Å; F342-M344 PolarHBondContact O-N 3.25Å; M344-S346 PolarHBondContact O-N 3.41Å
345	A	97.9	Very high	98.5	Very high	32 Å²	32	41 Å²	41	26%	0.264	21%	0.205	S	C	.	.			trans	-68.2	130.6	174.3	0	0	0	0	0	109.9	A146 P148 E165 F343	A146-A345 VanDerWaalsContact O-CB 3.32Å; A146-A345 WeakPolarHBondContact O-CB 3.41Å; P148-A345 HydrophobicContact CG-CB 3.82Å; E165-A345 HydrophobicContact CB-CB 4.31Å; E165-A345 HydrophobicContact CG-CB 3.9Å; F343-A345 HydrophobicContact CE1-CB 4.08Å; F343-A345 HydrophobicContact CZ-CB 3.82Å
346	S	98.7	Very high	98.6	Very high	15 Å²	15	42 Å²	42	11%	0.105	21%	0.208	C	C	.	.			trans	-160.8	113.4	179.3	-177.5	0	0	0	0	110.6	M344 P348 Y349 L350	M344-S346 PolarHBondContact O-N 3.41Å; S346-P348 WeakPolarHBondContact OG-CD 3.3Å; S346-Y349 VanDerWaalsContact OG-CD2 3.3Å; S346-Y349 WeakPolarHBondContact OG-CD2 3.43Å; S346-Y349 PolarHBondContact OG-N 3.45Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 2.99Å; S346-L350 VanDerWaalsContact O-N 3.17Å
347	G	98.6	Very high	98.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-50.5	167.1	0	0	0	0	0	112.2	N164 V166 S167 Y349 L350 D351	N164-G347 PolarHBondContact O-N 2.96Å; V166-G347 WeakPolarHBondContact O-CA 3.34Å; S167-G347 WeakPolarHBondContact CB-O 3.07Å; G347-Y349 VanDerWaalsContact C-N 3.33Å; G347-Y349 PolarHBondContact O-N 2.92Å; G347-L350 CarbonylContact O-C 3.59Å; G347-L350 WeakPolarHBondContact O-CA 3.33Å; G347-L350 WeakPolarHBondContact O-CB 3.31Å; G347-L350 PolarHBondContact O-N 3.34Å; G347-D351 PolarHBondContact O-N 3.45Å
348	P	98.6	Very high	98.6	Very high	72 Å²	72	42.9 Å²	42.9	47%	0.468	22%	0.215	S	C	.	.	H	α-helix	trans	-55.7	-41.3	179.1	-30.2	36.1	0	0	0	114.6	S346 L350 D351 D352	S346-P348 WeakPolarHBondContact OG-CD 3.3Å; P348-L350 VanDerWaalsContact C-N 3.33Å; P348-D351 WeakPolarHBondContact O-CB 3.27Å; P348-D351 PolarHBondContact O-N 3.19Å; P348-D352 PolarHBondContact O-N 3.15Å
349	Y	98.6	Very high	98.6	Very high	62 Å²	62	45.9 Å²	45.9	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-29.5	175.8	-57.6	-27	0	0	0	112.4	L186 W189 K194 S346 G347 D351 D352 I353	L186-Y349 HydrophobicContact CD2-CD2 4.3Å; L186-Y349 HydrophobicContact CD2-CG 4.49Å; W189-Y349 AromaticContact CD1-CD2 3.96Å; W189-Y349 AromaticContact CD1-CG 3.76Å; W189-Y349 AromaticContact NE1-CD1 3.79Å; W189-Y349 AromaticContact NE1-CG 3.71Å; K194-Y349 HydrophobicContact CD-CE2 4.2Å; K194-Y349 WeakPolarHBondContact CE-OH 3.17Å; K194-Y349 HydrophobicContact CG-CE2 4.36Å; K194-Y349 PolarHBondContact NZ-OH 3.37Å; K194-Y349 VanDerWaalsContact NZ-OH 3.09Å; S346-Y349 VanDerWaalsContact OG-CD2 3.3Å; S346-Y349 WeakPolarHBondContact OG-CD2 3.43Å; S346-Y349 PolarHBondContact OG-N 3.45Å; G347-Y349 VanDerWaalsContact C-N 3.33Å; G347-Y349 PolarHBondContact O-N 2.92Å; Y349-D351 VanDerWaalsContact C-N 3.3Å; Y349-D352 PolarHBondContact O-N 2.85Å; Y349-I353 WeakPolarHBondContact O-CB 3.47Å; Y349-I353 WeakPolarHBondContact O-CD1 3.31Å; Y349-I353 WeakPolarHBondContact O-CG1 3.5Å; Y349-I353 PolarHBondContact O-N 2.96Å
350	L	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-31	170.7	-73.8	173.9	0	0	0	111.9	W144 P182 L186 S346 G347 P348 I353 A354	W144-L350 HydrophobicContact CZ2-CB 4.35Å; W144-L350 HydrophobicContact CZ2-CD2 4.14Å; W144-L350 WeakPolarHBondContact CZ2-O 3.27Å; P182-L350 HydrophobicContact CB-CD1 4.32Å; P182-L350 HydrophobicContact CB-CD2 3.95Å; L186-L350 HydrophobicContact CD1-CD1 4Å; L186-L350 HydrophobicContact CD1-CD2 3.97Å; L186-L350 HydrophobicContact CD1-CG 3.82Å; L186-L350 HydrophobicContact CD2-CD2 4.36Å; L186-L350 HydrophobicContact CD2-CG 4.18Å; L186-L350 HydrophobicContact CG-CD2 3.88Å; L186-L350 HydrophobicContact CG-CG 4.06Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 2.99Å; S346-L350 VanDerWaalsContact O-N 3.17Å; G347-L350 CarbonylContact O-C 3.59Å; G347-L350 WeakPolarHBondContact O-CA 3.33Å; G347-L350 WeakPolarHBondContact O-CB 3.31Å; G347-L350 PolarHBondContact O-N 3.34Å; P348-L350 VanDerWaalsContact C-N 3.33Å; L350-I353 HydrophobicContact CD2-CD1 4.35Å; L350-I353 PolarHBondContact O-N 3.35Å; L350-A354 WeakPolarHBondContact O-CB 3.17Å; L350-A354 PolarHBondContact O-N 2.89Å
351	D	98.8	Very high	98.6	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-49.3	172.5	-61.5	-36.6	0	0	0	110.5	S167 G347 P348 Y349 I353 A354 E355	S167-D351 WeakPolarHBondContact CB-OD1 3.44Å; S167-D351 PolarHBondContact OG-N 3.19Å; S167-D351 PolarHBondContact OG-OD1 2.95Å; G347-D351 PolarHBondContact O-N 3.45Å; P348-D351 WeakPolarHBondContact O-CB 3.27Å; P348-D351 PolarHBondContact O-N 3.19Å; Y349-D351 VanDerWaalsContact C-N 3.3Å; D351-I353 VanDerWaalsContact C-N 3.26Å; D351-I353 PolarHBondContact O-N 3.05Å; D351-A354 WeakPolarHBondContact O-CB 3.48Å; D351-A354 PolarHBondContact O-N 2.95Å; D351-E355 PolarHBondContact O-N 2.89Å
352	D	98.8	Very high	98.6	Very high	68 Å²	68	48.3 Å²	48.3	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-41.8	174.7	-62.2	-29	0	0	0	111.7	W189 P348 Y349 E355 L356	W189-D352 HydrophobicContact CH2-CB 3.96Å; W189-D352 HydrophobicContact CZ2-CB 3.82Å; P348-D352 PolarHBondContact O-N 3.15Å; Y349-D352 PolarHBondContact O-N 2.85Å; D352-E355 PolarHBondContact O-N 3Å; D352-L356 PolarHBondContact O-N 3.27Å
353	I	98.8	Very high	98.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-37.1	178.2	-66.9	160.2	0	0	0	110.7	W144 A185 L186 W189 F220 Y349 L350 D351 E355 L356 V357	W144-I353 HydrophobicContact CH2-CG2 3.98Å; W144-I353 HydrophobicContact CZ2-CG2 4.31Å; A185-I353 HydrophobicContact CB-CD1 3.92Å; A185-I353 HydrophobicContact CB-CG2 4.24Å; L186-I353 HydrophobicContact CD2-CD1 4.34Å; W189-I353 HydrophobicContact CB-CD1 4.37Å; W189-I353 HydrophobicContact CD2-CD1 4.27Å; W189-I353 HydrophobicContact CD2-CG1 4.23Å; W189-I353 HydrophobicContact CE3-CD1 4.13Å; W189-I353 HydrophobicContact CE3-CG1 3.74Å; W189-I353 HydrophobicContact CG-CD1 4.41Å; W189-I353 HydrophobicContact CH2-CG1 4.47Å; W189-I353 HydrophobicContact CZ3-CG1 3.88Å; F220-I353 HydrophobicContact CE2-CG2 3.8Å; F220-I353 HydrophobicContact CZ-CD1 4.29Å; F220-I353 HydrophobicContact CZ-CG1 4.12Å; F220-I353 HydrophobicContact CZ-CG2 4.02Å; Y349-I353 WeakPolarHBondContact O-CB 3.47Å; Y349-I353 WeakPolarHBondContact O-CD1 3.31Å; Y349-I353 WeakPolarHBondContact O-CG1 3.5Å; Y349-I353 PolarHBondContact O-N 2.96Å; L350-I353 HydrophobicContact CD2-CD1 4.35Å; L350-I353 PolarHBondContact O-N 3.35Å; D351-I353 VanDerWaalsContact C-N 3.26Å; D351-I353 PolarHBondContact O-N 3.05Å; I353-E355 VanDerWaalsContact C-N 3.33Å; I353-L356 PolarHBondContact O-N 3.23Å; I353-V357 WeakPolarHBondContact O-CG2 3.35Å; I353-V357 PolarHBondContact O-N 3.08Å
354	A	98.8	Very high	98.6	Very high	9 Å²	9	50.3 Å²	50.3	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-39.6	178.2	0	0	0	0	0	111.6	W144 P170 L350 D351 L356 V357 D358	W144-A354 HydrophobicContact CZ2-CB 3.81Å; P170-A354 HydrophobicContact CB-CB 4.45Å; P170-A354 HydrophobicContact CG-CB 3.89Å; L350-A354 WeakPolarHBondContact O-CB 3.17Å; L350-A354 PolarHBondContact O-N 2.89Å; D351-A354 WeakPolarHBondContact O-CB 3.48Å; D351-A354 PolarHBondContact O-N 2.95Å; A354-L356 VanDerWaalsContact C-N 3.34Å; A354-L356 PolarHBondContact O-N 2.81Å; A354-V357 PolarHBondContact O-N 2.93Å; A354-D358 PolarHBondContact O-N 2.99Å
355	E	98.8	Very high	98.7	Very high	141 Å²	141	47.2 Å²	47.2	66%	0.659	26%	0.264	S	S	*	.	H	α-helix	trans	-60.1	-43.4	173.4	-68	-175	175.3	0	0	111.9	D351 D352 I353 V357 D358 A359	D351-E355 PolarHBondContact O-N 2.89Å; D352-E355 PolarHBondContact O-N 3Å; I353-E355 VanDerWaalsContact C-N 3.33Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 3.41Å; E355-D358 PolarHBondContact O-N 3.16Å; E355-A359 WeakPolarHBondContact O-CB 3.12Å; E355-A359 PolarHBondContact O-N 2.91Å
356	L	98.8	Very high	98.7	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-35.4	175.9	-69.6	171.5	0	0	0	112.7	W189 V224 A227 D352 I353 A354 K361 I362	W189-L356 HydrophobicContact CH2-CD1 4.05Å; W189-L356 HydrophobicContact CZ3-CD1 3.77Å; V224-L356 HydrophobicContact CG2-CD1 4.31Å; A227-L356 HydrophobicContact CB-CD2 4.5Å; D352-L356 PolarHBondContact O-N 3.27Å; I353-L356 PolarHBondContact O-N 3.23Å; A354-L356 VanDerWaalsContact C-N 3.34Å; A354-L356 PolarHBondContact O-N 2.81Å; L356-K361 HydrophobicContact CD2-CB 4.42Å; L356-K361 WeakPolarHBondContact O-CA 3.22Å; L356-K361 WeakPolarHBondContact O-CB 3.41Å; L356-K361 PolarHBondContact O-N 2.91Å; L356-I362 HydrophobicContact CB-CD1 3.73Å; L356-I362 HydrophobicContact CB-CG1 4.06Å; L356-I362 HydrophobicContact CD1-CD1 3.9Å; L356-I362 HydrophobicContact CG-CD1 4.46Å; L356-I362 PolarHBondContact O-N 2.81Å
357	V	98.8	Very high	98.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-50	175.8	171.1	0	0	0	0	110.9	P170 L173 L181 I353 A354 E355 A359 G360 I362	P170-V357 HydrophobicContact CB-CB 4Å; P170-V357 HydrophobicContact CB-CG1 3.57Å; P170-V357 HydrophobicContact CG-CB 3.93Å; P170-V357 HydrophobicContact CG-CG1 3.78Å; P170-V357 HydrophobicContact CG-CG2 4.34Å; L173-V357 HydrophobicContact CD1-CG1 3.58Å; L173-V357 HydrophobicContact CD2-CG1 4.07Å; L173-V357 HydrophobicContact CG-CG1 3.64Å; L181-V357 HydrophobicContact CD1-CG2 4.19Å; I353-V357 WeakPolarHBondContact O-CG2 3.35Å; I353-V357 PolarHBondContact O-N 3.08Å; A354-V357 PolarHBondContact O-N 2.93Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 3.41Å; V357-A359 PolarHBondContact O-N 2.78Å; V357-G360 WeakPolarHBondContact O-CA 3.47Å; V357-G360 PolarHBondContact O-N 2.9Å; V357-I362 HydrophobicContact CG2-CB 3.88Å; V357-I362 HydrophobicContact CG2-CG2 4.02Å
358	D	98.7	Very high	98.7	Very high	71 Å²	71	54.9 Å²	54.9	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-26.8	-179.9	-78.9	-16.4	0	0	0	112.1	P170 K171 S172 A354 E355 G360	P170-D358 WeakPolarHBondContact CB-OD1 3.17Å; K171-D358 PolarHBondContact N-OD1 2.9Å; K171-D358 PolarHBondContact N-OD2 3.21Å; S172-D358 WeakPolarHBondContact CB-OD1 3.49Å; S172-D358 PolarHBondContact N-OD1 3.33Å; S172-D358 PolarHBondContact OG-OD1 3.1Å; A354-D358 PolarHBondContact O-N 2.99Å; E355-D358 PolarHBondContact O-N 3.16Å; D358-G360 PolarHBondContact O-N 2.85Å
359	A	98.5	Very high	98.7	Very high	65 Å²	65	55.4 Å²	55.4	54%	0.537	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.1	168.9	0	0	0	0	0	114	E355 V357 K361	E355-A359 WeakPolarHBondContact O-CB 3.12Å; E355-A359 PolarHBondContact O-N 2.91Å; V357-A359 PolarHBondContact O-N 2.78Å; A359-K361 HydrophobicContact CB-CG 4.19Å; A359-K361 PolarHBondContact O-N 3.46Å
360	G	98.4	Very high	98.7	Very high	55 Å²	55	53.5 Å²	53.5	57%	0.567	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	12.5	179.2	0	0	0	0	0	114.7	V357 D358	V357-G360 WeakPolarHBondContact O-CA 3.47Å; V357-G360 PolarHBondContact O-N 2.9Å; D358-G360 PolarHBondContact O-N 2.85Å
361	K	98.6	Very high	98.7	Very high	122 Å²	122	56.8 Å²	56.8	53%	0.53	31%	0.305	S	S	.	.	S	Bend	trans	-81.3	-26.8	-179.5	-59.4	-63.8	-175.6	172.7	0	112.5	A227 L356 A359	A227-K361 HydrophobicContact CB-CB 3.92Å; A227-K361 HydrophobicContact CB-CG 4.42Å; L356-K361 HydrophobicContact CD2-CB 4.42Å; L356-K361 WeakPolarHBondContact O-CA 3.22Å; L356-K361 WeakPolarHBondContact O-CB 3.41Å; L356-K361 PolarHBondContact O-N 2.91Å; A359-K361 HydrophobicContact CB-CG 4.19Å; A359-K361 PolarHBondContact O-N 3.46Å
362	I	98.8	Very high	98.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	29%	0.294	C	S	.	.			trans	-125.5	129.5	178.6	-59.6	179.9	0	0	0	109.2	F220 Q223 V224 L356 V357	F220-I362 HydrophobicContact CD2-CD1 4.39Å; F220-I362 HydrophobicContact CD2-CG2 3.89Å; F220-I362 HydrophobicContact CE2-CD1 3.6Å; F220-I362 HydrophobicContact CE2-CG2 3.9Å; F220-I362 HydrophobicContact CZ-CD1 3.77Å; Q223-I362 HydrophobicContact CB-CG1 4.26Å; V224-I362 HydrophobicContact CB-CD1 4.3Å; L356-I362 HydrophobicContact CB-CD1 3.73Å; L356-I362 HydrophobicContact CB-CG1 4.06Å; L356-I362 HydrophobicContact CD1-CD1 3.9Å; L356-I362 HydrophobicContact CG-CD1 4.46Å; L356-I362 PolarHBondContact O-N 2.81Å; V357-I362 HydrophobicContact CG2-CB 3.88Å; V357-I362 HydrophobicContact CG2-CG2 4.02Å
363	R	98.6	Very high	98.7	Very high	130 Å²	130	55.6 Å²	55.6	49%	0.491	30%	0.304	S	S	.	.			trans	-115.2	143.4	175	-64	171.3	-65.4	175	-1.1	110.6	Q223 K246	Q223-R363 PolarHBondContact NE2-O 3.43Å; K246-R363 PolarHBondContact O-NH2 3.17Å
364	P	98.7	Very high	98.7	Very high	28 Å²	28	59.9 Å²	59.9	18%	0.182	32%	0.323	C	S	.	.			trans	-66.4	138.8	171.3	30.1	-35.9	0	0	0	110.3	L173 Q177 S180 L181	L173-P364 HydrophobicContact CD1-CG 4.39Å; L173-P364 HydrophobicContact CD2-CG 4.03Å; Q177-P364 HydrophobicContact CB-CB 4.3Å; Q177-P364 HydrophobicContact CB-CG 3.9Å; Q177-P364 HydrophobicContact CG-CG 3.87Å; S180-P364 WeakPolarHBondContact OG-CB 3.45Å; L181-P364 HydrophobicContact CD1-CB 4.37Å
365	V	98.8	Very high	98.7	Very high	20 Å²	20	59.4 Å²	59.4	12%	0.121	32%	0.319	C	S	.	.			trans	-115.9	91.6	176	-173.2	0	0	0	0	108.4	T219 L243 L247 G389 K390	T219-V365 HydrophobicContact CG2-CB 4.48Å; T219-V365 HydrophobicContact CG2-CG1 4.27Å; T219-V365 HydrophobicContact CG2-CG2 4.46Å; L243-V365 HydrophobicContact CD1-CG1 3.96Å; L243-V365 HydrophobicContact CD2-CG1 4.24Å; L247-V365 HydrophobicContact CD1-CG2 4.1Å; L247-V365 HydrophobicContact CD2-CG2 3.81Å; V365-G389 CarbonylContact O-C 3.6Å; V365-G389 VanDerWaalsContact O-CA 3.32Å; V365-G389 WeakPolarHBondContact O-CA 3.37Å; V365-K390 WeakPolarHBondContact O-CB 3.5Å; V365-K390 PolarHBondContact O-N 2.81Å
366	I	98.8	Very high	98.7	Very high	51 Å²	51	54 Å²	54	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.8	-179.3	-63.6	168.4	0	0	0	109.1	T176 Q177 I369 V392	T176-I366 HydrophobicContact CG2-CD1 4.37Å; Q177-I366 HydrophobicContact CG-CD1 4.17Å; I366-I369 HydrophobicContact CG2-CD1 4.27Å; I366-I369 HydrophobicContact CG2-CG1 3.69Å; I366-V392 HydrophobicContact CD1-CG2 4.08Å; I366-V392 HydrophobicContact CG1-CG2 3.97Å; I366-V392 HydrophobicContact CG2-CG2 4.18Å
367	E	98.3	Very high	98.7	Very high	77 Å²	77	55.8 Å²	55.8	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-45.7	175.6	-166.6	-178.9	146.9	0	0	111.2	K381 A387 R388 K390	E367-K381 VanDerWaalsContact CD-CE 3.46Å; E367-K381 WeakPolarHBondContact OE1-CE 3.38Å; E367-K381 IonicContact OE1-NZ 3.69Å; E367-K381 PolarHBondContact OE1-NZ 3.39Å; E367-K381 VanDerWaalsContact OE1-NZ 3.1Å; E367-K381 IonicContact OE2-NZ 2.87Å; E367-K381 PolarHBondContact OE2-NZ 2.98Å; E367-A387 WeakPolarHBondContact OE2-CA 3.37Å; E367-R388 WeakPolarHBondContact CB-O 3.11Å; E367-R388 HydrophobicContact CG-CB 4.14Å; E367-R388 PolarHBondContact OE2-N 3.27Å; E367-K390 PolarHBondContact N-O 2.92Å
368	Q	98.5	Very high	98.7	Very high	81 Å²	81	55.5 Å²	55.5	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.4	-174.7	-163.4	171.2	4.7	0	0	111.1	F370 K390 T391 V392	Q368-F370 HydrophobicContact CB-CE2 3.96Å; Q368-F370 HydrophobicContact CG-CD2 4.12Å; Q368-F370 HydrophobicContact CG-CE2 3.51Å; Q368-F370 HydrophobicContact CG-CZ 3.92Å; Q368-K390 PolarHBondContact N-O 3.18Å; Q368-T391 WeakPolarHBondContact O-CA 3.5Å; Q368-V392 PolarHBondContact O-N 3.06Å
369	I	98.8	Very high	98.7	Very high	82 Å²	82	52.1 Å²	52.1	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135	176.3	-57.5	159.8	0	0	0	107.8	T176 I366 V392	T176-I369 HydrophobicContact CG2-CD1 3.65Å; T176-I369 HydrophobicContact CG2-CG1 3.86Å; T176-I369 HydrophobicContact CG2-CG2 4.12Å; I366-I369 HydrophobicContact CG2-CD1 4.27Å; I366-I369 HydrophobicContact CG2-CG1 3.69Å; I369-V392 CarbonylContact C-O 3.16Å; I369-V392 WeakPolarHBondContact CA-O 3.29Å; I369-V392 HydrophobicContact CG1-CB 4.42Å
370	F	98.8	Very high	98.7	Very high	23 Å²	23	52.4 Å²	52.4	10%	0.101	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.5	175	-68.9	-97.4	0	0	0	110	Q368 K374 E377 A378 K381 T391 V392 I393 N394	Q368-F370 HydrophobicContact CB-CE2 3.96Å; Q368-F370 HydrophobicContact CG-CD2 4.12Å; Q368-F370 HydrophobicContact CG-CE2 3.51Å; Q368-F370 HydrophobicContact CG-CZ 3.92Å; F370-K374 HydrophobicContact CB-CB 4.27Å; F370-K374 HydrophobicContact CD1-CB 4.01Å; F370-E377 HydrophobicContact CD1-CB 4.27Å; F370-E377 HydrophobicContact CE1-CB 3.93Å; F370-A378 HydrophobicContact CB-CB 4.11Å; F370-A378 HydrophobicContact CD1-CB 4.3Å; F370-A378 HydrophobicContact CD2-CB 3.61Å; F370-A378 HydrophobicContact CE2-CB 4.03Å; F370-A378 HydrophobicContact CG-CB 3.75Å; F370-K381 HydrophobicContact CE2-CB 4.39Å; F370-K381 HydrophobicContact CZ-CB 4.13Å; F370-K381 HydrophobicContact CZ-CG 4.41Å; F370-T391 HydrophobicContact CD2-CG2 3.65Å; F370-T391 HydrophobicContact CE2-CG2 3.62Å; F370-V392 PolarHBondContact N-O 3.09Å; F370-I393 HydrophobicContact CB-CD1 3.9Å; F370-I393 CarbonylContact O-C 3.58Å; F370-I393 VanDerWaalsContact O-CA 3.31Å; F370-I393 WeakPolarHBondContact O-CA 3.29Å; F370-N394 PolarHBondContact O-N 3.23Å
371	P	98.8	Very high	98.7	Very high	69 Å²	69	50.4 Å²	50.4	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	161.3	167.5	31.8	-35.9	0	0	0	110.7	S373 K374 N394	P371-S373 PolarHBondContact O-N 2.65Å; P371-S373 VanDerWaalsContact O-N 3.14Å; P371-K374 HydrophobicContact CG-CB 3.96Å; P371-K374 HydrophobicContact CG-CG 3.66Å; P371-K374 WeakPolarHBondContact O-CA 3.49Å; P371-K374 PolarHBondContact O-N 2.82Å; P371-N394 CarbonylContact C-O 3.47Å
372	F	98.7	Very high	98.7	Very high	24 Å²	24	45.7 Å²	45.7	11%	0.105	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.9	-31.6	-179.4	-162.3	-130.8	0	0	0	114	P44 W46 F59 K374 V375 I393 N394 V395	P44-F372 HydrophobicContact CB-CE1 4.29Å; W46-F372 AromaticContact CD1-CE2 3.63Å; W46-F372 AromaticContact CD1-CZ 3.64Å; W46-F372 PolarHBondContact NE1-O 3.38Å; F59-F372 HydrophobicContact CD2-CE1 4.41Å; F59-F372 HydrophobicContact CE2-CD1 4.08Å; F59-F372 AromaticContact CE2-CE1 3.77Å; F59-F372 HydrophobicContact CE2-CE1 3.77Å; F372-K374 PolarHBondContact O-N 3.26Å; F372-K374 VanDerWaalsContact O-N 3.17Å; F372-V375 HydrophobicContact CD2-CG2 4.07Å; F372-V375 HydrophobicContact CE2-CG2 4.4Å; F372-V375 WeakPolarHBondContact O-CG2 3.22Å; F372-I393 HydrophobicContact CD2-CG2 3.97Å; F372-N394 WeakPolarHBondContact CB-O 3.16Å; F372-N394 PolarHBondContact N-O 3.11Å; F372-V395 HydrophobicContact CD2-CB 4.28Å; F372-V395 HydrophobicContact CD2-CG1 4.1Å; F372-V395 HydrophobicContact CD2-CG2 3.9Å; F372-V395 HydrophobicContact CE2-CG1 4.12Å; F372-V395 HydrophobicContact CE2-CG2 4.13Å; F372-V395 HydrophobicContact CG-CG1 4.36Å; F372-V395 HydrophobicContact CZ-CG1 4.39Å
373	S	98.6	Very high	98.6	Very high	82 Å²	82	49.9 Å²	49.9	57%	0.573	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.2	-11.3	175.8	56.2	0	0	0	0	114.1	P371	P371-S373 PolarHBondContact O-N 2.65Å; P371-S373 VanDerWaalsContact O-N 3.14Å
374	K	98.8	Very high	98.6	Very high	90 Å²	90	51.5 Å²	51.5	39%	0.391	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-117.3	25.4	-174.4	-63.1	-70.6	175.5	179.7	0	113.6	F370 P371 F372 E377 A378	F370-K374 HydrophobicContact CB-CB 4.27Å; F370-K374 HydrophobicContact CD1-CB 4.01Å; P371-K374 HydrophobicContact CG-CB 3.96Å; P371-K374 HydrophobicContact CG-CG 3.66Å; P371-K374 WeakPolarHBondContact O-CA 3.49Å; P371-K374 PolarHBondContact O-N 2.82Å; F372-K374 PolarHBondContact O-N 3.26Å; F372-K374 VanDerWaalsContact O-N 3.17Å; K374-E377 WeakPolarHBondContact CA-OE2 3.3Å; K374-E377 HydrophobicContact CD-CG 4.23Å; K374-E377 WeakPolarHBondContact CD-OE1 3.37Å; K374-E377 WeakPolarHBondContact CD-OE2 3.48Å; K374-E377 WeakPolarHBondContact CE-OE1 3.45Å; K374-E377 IonicContact NZ-OE1 3.55Å; K374-E377 PolarHBondContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact O-N 2.97Å; K374-A378 PolarHBondContact O-N 2.78Å; K374-A378 VanDerWaalsContact O-N 3.09Å
375	V	98.8	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-43.8	174.1	166.6	0	0	0	0	112.2	W46 L155 F372 E377 A378 F379 I393	W46-V375 HydrophobicContact CB-CG1 4.19Å; W46-V375 HydrophobicContact CD2-CB 3.93Å; W46-V375 HydrophobicContact CD2-CG1 4.14Å; W46-V375 HydrophobicContact CG-CB 3.9Å; W46-V375 HydrophobicContact CG-CG1 3.92Å; W46-V375 HydrophobicContact CG-CG2 4.12Å; W46-V375 HydrophobicContact CZ2-CB 4.43Å; L155-V375 HydrophobicContact CD1-CG1 4.03Å; L155-V375 HydrophobicContact CD2-CG2 4.24Å; F372-V375 HydrophobicContact CD2-CG2 4.07Å; F372-V375 HydrophobicContact CE2-CG2 4.4Å; F372-V375 WeakPolarHBondContact O-CG2 3.22Å; V375-E377 VanDerWaalsContact C-N 3.33Å; V375-E377 PolarHBondContact O-N 3.19Å; V375-A378 WeakPolarHBondContact O-CB 3.31Å; V375-A378 PolarHBondContact O-N 2.88Å; V375-F379 HydrophobicContact CG1-CD2 3.86Å; V375-F379 HydrophobicContact CG1-CE2 3.73Å; V375-F379 WeakPolarHBondContact O-CD2 3.34Å; V375-F379 PolarHBondContact O-N 2.98Å; V375-I393 HydrophobicContact CG2-CD1 4.22Å; V375-I393 HydrophobicContact CG2-CG1 4.28Å; V375-I393 HydrophobicContact CG2-CG2 3.82Å
376	P	98.8	Very high	98.1	Very high	27 Å²	27	57.1 Å²	57.1	18%	0.175	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-40.5	177.1	-26.6	36.5	0	0	0	113.5	W46 N54 L57 F379 L380	W46-P376 HydrophobicContact CE3-CG 4.15Å; W46-P376 VanDerWaalsContact CH2-CD 3.41Å; W46-P376 HydrophobicContact CH2-CG 3.3Å; W46-P376 HydrophobicContact CZ2-CG 4.05Å; W46-P376 HydrophobicContact CZ3-CG 3.36Å; N54-P376 PolarHBondContact ND2-O 2.88Å; L57-P376 HydrophobicContact CB-CG 4.5Å; L57-P376 HydrophobicContact CD1-CB 4.37Å; L57-P376 HydrophobicContact CD1-CG 4.46Å; P376-F379 PolarHBondContact O-N 2.86Å; P376-L380 WeakPolarHBondContact O-CG 3.27Å; P376-L380 PolarHBondContact O-N 3.38Å
377	E	98.8	Very high	97.8	Very high	67 Å²	67	56.3 Å²	56.3	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-37.1	177.7	-66.5	89.1	152.9	0	0	111.9	F370 K374 V375 L380 K381	F370-E377 HydrophobicContact CD1-CB 4.27Å; F370-E377 HydrophobicContact CE1-CB 3.93Å; K374-E377 WeakPolarHBondContact CA-OE2 3.3Å; K374-E377 HydrophobicContact CD-CG 4.23Å; K374-E377 WeakPolarHBondContact CD-OE1 3.37Å; K374-E377 WeakPolarHBondContact CD-OE2 3.48Å; K374-E377 WeakPolarHBondContact CE-OE1 3.45Å; K374-E377 IonicContact NZ-OE1 3.55Å; K374-E377 PolarHBondContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact O-N 2.97Å; V375-E377 VanDerWaalsContact C-N 3.33Å; V375-E377 PolarHBondContact O-N 3.19Å; E377-L380 PolarHBondContact O-N 3.39Å; E377-K381 WeakPolarHBondContact O-CB 3.45Å; E377-K381 PolarHBondContact O-N 2.71Å
378	A	98.8	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-40.1	173.7	0	0	0	0	0	112.1	V83 F370 K374 V375 K381 V382 T391 I393	V83-A378 HydrophobicContact CG2-CB 4Å; F370-A378 HydrophobicContact CB-CB 4.11Å; F370-A378 HydrophobicContact CD1-CB 4.3Å; F370-A378 HydrophobicContact CD2-CB 3.61Å; F370-A378 HydrophobicContact CE2-CB 4.03Å; F370-A378 HydrophobicContact CG-CB 3.75Å; K374-A378 PolarHBondContact O-N 2.78Å; K374-A378 VanDerWaalsContact O-N 3.09Å; V375-A378 WeakPolarHBondContact O-CB 3.31Å; V375-A378 PolarHBondContact O-N 2.88Å; A378-K381 PolarHBondContact O-N 3.5Å; A378-V382 PolarHBondContact O-N 3.26Å; A378-T391 HydrophobicContact CB-CG2 4.01Å; A378-I393 HydrophobicContact CB-CD1 3.34Å
379	F	98.8	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-48.1	172.7	-89.6	-116.5	0	0	0	111.4	N54 L57 V83 D87 V88 R91 L119 L155 V375 P376 K381 V382 E383	N54-F379 WeakPolarHBondContact OD1-CB 3.43Å; L57-F379 HydrophobicContact CD1-CB 4.06Å; L57-F379 HydrophobicContact CD1-CD1 3.93Å; L57-F379 HydrophobicContact CD1-CD2 4.02Å; L57-F379 HydrophobicContact CD1-CE1 4.35Å; L57-F379 HydrophobicContact CD1-CE2 4.44Å; L57-F379 HydrophobicContact CD1-CG 3.73Å; L57-F379 HydrophobicContact CD2-CE1 4.38Å; L57-F379 HydrophobicContact CD2-CZ 4.32Å; V83-F379 HydrophobicContact CG1-CD2 3.98Å; V83-F379 HydrophobicContact CG1-CE2 4.08Å; V83-F379 HydrophobicContact CG1-CG 4.33Å; V83-F379 HydrophobicContact CG2-CD2 4.14Å; V83-F379 HydrophobicContact CG2-CE2 4.13Å; D87-F379 HydrophobicContact CB-CE1 3.92Å; D87-F379 HydrophobicContact CB-CZ 3.83Å; V88-F379 HydrophobicContact CG2-CD1 3.97Å; R91-F379 HydrophobicContact CB-CE1 4.44Å; L119-F379 HydrophobicContact CB-CZ 4.12Å; L119-F379 HydrophobicContact CD1-CE1 3.75Å; L119-F379 HydrophobicContact CD1-CZ 3.88Å; L155-F379 HydrophobicContact CD1-CE2 3.57Å; L155-F379 HydrophobicContact CD1-CZ 3.82Å; V375-F379 HydrophobicContact CG1-CD2 3.86Å; V375-F379 HydrophobicContact CG1-CE2 3.73Å; V375-F379 WeakPolarHBondContact O-CD2 3.34Å; V375-F379 PolarHBondContact O-N 2.98Å; P376-F379 PolarHBondContact O-N 2.86Å; F379-K381 VanDerWaalsContact C-N 3.26Å; F379-K381 PolarHBondContact O-N 3.4Å; F379-V382 PolarHBondContact O-N 3.24Å; F379-V382 VanDerWaalsContact O-N 3.14Å; F379-E383 VanDerWaalsContact O-CB 3.3Å; F379-E383 WeakPolarHBondContact O-CB 3.26Å; F379-E383 PolarHBondContact O-N 3.18Å
380	L	98.7	Very high	97.7	Very high	71 Å²	71	47.7 Å²	47.7	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-37.7	176.3	-69.9	172.5	0	0	0	112	N54 P376 E377 E383 R384	N54-L380 HydrophobicContact CB-CD2 3.88Å; N54-L380 HydrophobicContact CB-CG 4.41Å; N54-L380 WeakPolarHBondContact ND2-CG 3.15Å; P376-L380 WeakPolarHBondContact O-CG 3.27Å; P376-L380 PolarHBondContact O-N 3.38Å; E377-L380 PolarHBondContact O-N 3.39Å; L380-E383 PolarHBondContact O-N 3.4Å; L380-R384 WeakPolarHBondContact O-CG 3.5Å; L380-R384 PolarHBondContact O-N 2.85Å; L380-R384 PolarHBondContact O-NH1 2.97Å
381	K	98.4	Very high	97.7	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-42.5	176.2	-177	-93	171.8	-160.4	0	111.8	E367 F370 E377 A378 F379 T391	E367-K381 VanDerWaalsContact CD-CE 3.46Å; E367-K381 WeakPolarHBondContact OE1-CE 3.38Å; E367-K381 IonicContact OE1-NZ 3.69Å; E367-K381 PolarHBondContact OE1-NZ 3.39Å; E367-K381 VanDerWaalsContact OE1-NZ 3.1Å; E367-K381 IonicContact OE2-NZ 2.87Å; E367-K381 PolarHBondContact OE2-NZ 2.98Å; F370-K381 HydrophobicContact CE2-CB 4.39Å; F370-K381 HydrophobicContact CZ-CB 4.13Å; F370-K381 HydrophobicContact CZ-CG 4.41Å; E377-K381 WeakPolarHBondContact O-CB 3.45Å; E377-K381 PolarHBondContact O-N 2.71Å; A378-K381 PolarHBondContact O-N 3.5Å; F379-K381 VanDerWaalsContact C-N 3.26Å; F379-K381 PolarHBondContact O-N 3.4Å; K381-T391 HydrophobicContact CD-CG2 4.19Å; K381-T391 WeakPolarHBondContact CD-OG1 3.39Å; K381-T391 PolarHBondContact NZ-OG1 3.05Å
382	V	98.3	Very high	97.7	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-70.2	-39.3	176.5	173.4	0	0	0	0	111.3	V83 P85 V88 A378 F379 R384 G385 T391	V83-V382 HydrophobicContact CB-CG2 3.91Å; V83-V382 HydrophobicContact CG1-CB 4.05Å; V83-V382 HydrophobicContact CG1-CG1 4.36Å; V83-V382 HydrophobicContact CG1-CG2 3.71Å; P85-V382 HydrophobicContact CG-CG1 4.49Å; V88-V382 HydrophobicContact CG2-CB 4.24Å; V88-V382 HydrophobicContact CG2-CG1 3.99Å; A378-V382 PolarHBondContact O-N 3.26Å; F379-V382 PolarHBondContact O-N 3.24Å; F379-V382 VanDerWaalsContact O-N 3.14Å; V382-R384 VanDerWaalsContact C-N 3.3Å; V382-R384 PolarHBondContact O-N 3.19Å; V382-G385 PolarHBondContact O-N 2.97Å; V382-T391 HydrophobicContact CG2-CG2 4.39Å; V382-T391 WeakPolarHBondContact CG2-OG1 3.2Å
383	E	98	Very high	97.7	Very high	90 Å²	90	42.4 Å²	42.4	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-31.5	179	-171.3	163.6	-156.3	0	0	112.9	V88 R91 F379 L380 G385	V88-E383 HydrophobicContact CG1-CB 3.91Å; V88-E383 HydrophobicContact CG1-CG 3.86Å; V88-E383 HydrophobicContact CG2-CB 4.49Å; R91-E383 IonicContact CZ-OE1 3.25Å; R91-E383 IonicContact CZ-OE2 3.02Å; R91-E383 IonicContact NH1-OE1 2.78Å; R91-E383 IonicContact NH1-OE2 2.78Å; R91-E383 PolarHBondContact NH1-OE2 3.47Å; R91-E383 VanDerWaalsContact NH2-CD 3.35Å; R91-E383 IonicContact NH2-OE1 3.17Å; R91-E383 PolarHBondContact NH2-OE1 3.25Å; R91-E383 IonicContact NH2-OE2 3.77Å; R91-E383 PolarHBondContact NH2-OE2 3.32Å; F379-E383 VanDerWaalsContact O-CB 3.3Å; F379-E383 WeakPolarHBondContact O-CB 3.26Å; F379-E383 PolarHBondContact O-N 3.18Å; L380-E383 PolarHBondContact O-N 3.4Å; E383-G385 PolarHBondContact O-N 3.01Å
384	R	97.1	Very high	97.7	Very high	165 Å²	165	41 Å²	41	62%	0.623	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.6	172.1	-74.6	-170.8	-58.8	-90.9	6.5	114.3	L380 V382	L380-R384 WeakPolarHBondContact O-CG 3.5Å; L380-R384 PolarHBondContact O-N 2.85Å; L380-R384 PolarHBondContact O-NH1 2.97Å; V382-R384 VanDerWaalsContact C-N 3.3Å; V382-R384 PolarHBondContact O-N 3.19Å
385	G	94	Very high	97.6	Very high	36 Å²	36	37.7 Å²	37.7	37%	0.371	19%	0.192	S	C	.	.			trans	74.6	-151.5	179.5	0	0	0	0	0	113.8	V382 E383 A387	V382-G385 PolarHBondContact O-N 2.97Å; E383-G385 PolarHBondContact O-N 3.01Å; G385-A387 VanDerWaalsContact C-N 3.26Å; G385-A387 PolarHBondContact O-N 3.28Å
386	H	93.4	Very high	97.1	Very high	129 Å²	129	43.5 Å²	43.5	60%	0.597	23%	0.228	S	C	*	.			trans	54.7	31.4	179.5	-58.2	-67.1	0	0	0	116.1	R388	H386-R388 PolarHBondContact O-N 2.82Å; H386-R388 PolarHBondContact O-NH1 3.39Å
387	A	93.7	Very high	97	Very high	35 Å²	35	44.4 Å²	44.4	29%	0.289	23%	0.23	S	C	.	.			trans	-54.2	139.5	-179.1	0	0	0	0	0	113.5	E367 G385	E367-A387 WeakPolarHBondContact OE2-CA 3.37Å; G385-A387 VanDerWaalsContact C-N 3.26Å; G385-A387 PolarHBondContact O-N 3.28Å
388	R	96.9	Very high	96.9	Very high	43 Å²	43	43.2 Å²	43.2	16%	0.162	23%	0.226	C	C	.	.	S	Bend	trans	-122.1	70.6	170.6	-61.2	-69.2	173.4	-86.6	0.8	107.9	S214 D239 L243 E367 H386	S214-R388 WeakPolarHBondContact O-CA 3.21Å; D239-R388 IonicContact OD1-CZ 2.68Å; D239-R388 IonicContact OD1-NH2 3.77Å; D239-R388 PolarHBondContact OD1-NH2 3.22Å; D239-R388 IonicContact OD2-CZ 2.96Å; D239-R388 IonicContact OD2-NE 2.74Å; D239-R388 PolarHBondContact OD2-NE 3.21Å; D239-R388 IonicContact OD2-NH2 3.16Å; D239-R388 PolarHBondContact OD2-NH2 2.76Å; L243-R388 HydrophobicContact CD2-CB 4.23Å; E367-R388 WeakPolarHBondContact CB-O 3.11Å; E367-R388 HydrophobicContact CG-CB 4.14Å; E367-R388 PolarHBondContact OE2-N 3.27Å; H386-R388 PolarHBondContact O-N 2.82Å; H386-R388 PolarHBondContact O-NH1 3.39Å
389	G	96.6	Very high	96.8	Very high	4 Å²	4	45.6 Å²	45.6	4%	0.041	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	89.7	-128.2	-168.7	0	0	0	0	0	113	S214 G216 V365	S214-G389 PolarHBondContact O-N 2.78Å; G216-G389 PolarHBondContact N-O 3.26Å; V365-G389 CarbonylContact O-C 3.6Å; V365-G389 VanDerWaalsContact O-CA 3.32Å; V365-G389 WeakPolarHBondContact O-CA 3.37Å
390	K	98.6	Very high	96.7	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.6	-163	-67.3	-70.1	-66.2	158.2	0	114.5	S82 V83 N84 S180 V184 V365 E367 Q368	S82-K390 VanDerWaalsContact OG-CE 3.31Å; S82-K390 WeakPolarHBondContact OG-CE 3.3Å; S82-K390 PolarHBondContact OG-NZ 3.17Å; V83-K390 PolarHBondContact O-NZ 3.06Å; N84-K390 PolarHBondContact OD1-NZ 3.17Å; S180-K390 WeakPolarHBondContact O-CE 3.48Å; S180-K390 WeakPolarHBondContact O-CG 3.45Å; V184-K390 HydrophobicContact CG1-CD 3.92Å; V184-K390 HydrophobicContact CG2-CD 4.12Å; V365-K390 WeakPolarHBondContact O-CB 3.5Å; V365-K390 PolarHBondContact O-N 2.81Å; E367-K390 PolarHBondContact N-O 2.92Å; Q368-K390 PolarHBondContact N-O 3.18Å
391	T	98.8	Very high	96.6	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124	169.7	-52.7	0	0	0	0	109.4	S82 V83 Q368 F370 A378 K381 V382	S82-T391 WeakPolarHBondContact CA-O 3.31Å; S82-T391 WeakPolarHBondContact CB-O 3.41Å; V83-T391 PolarHBondContact N-O 3.08Å; Q368-T391 WeakPolarHBondContact O-CA 3.5Å; F370-T391 HydrophobicContact CD2-CG2 3.65Å; F370-T391 HydrophobicContact CE2-CG2 3.62Å; A378-T391 HydrophobicContact CB-CG2 4.01Å; K381-T391 HydrophobicContact CD-CG2 4.19Å; K381-T391 WeakPolarHBondContact CD-OG1 3.39Å; K381-T391 PolarHBondContact NZ-OG1 3.05Å; V382-T391 HydrophobicContact CG2-CG2 4.39Å; V382-T391 WeakPolarHBondContact CG2-OG1 3.2Å
392	V	98.9	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	-175.6	179.1	0	0	0	0	110.4	A80 A81 T176 I366 Q368 I369 F370	A80-V392 HydrophobicContact CB-CG1 4.3Å; A81-V392 CarbonylContact O-C 3.44Å; A81-V392 WeakPolarHBondContact O-CA 3.13Å; A81-V392 VanDerWaalsContact O-CG1 3.3Å; A81-V392 WeakPolarHBondContact O-CG1 3.08Å; T176-V392 HydrophobicContact CG2-CB 4.38Å; T176-V392 HydrophobicContact CG2-CG1 3.71Å; T176-V392 WeakPolarHBondContact O-CG1 3.24Å; I366-V392 HydrophobicContact CD1-CG2 4.08Å; I366-V392 HydrophobicContact CG1-CG2 3.97Å; I366-V392 HydrophobicContact CG2-CG2 4.18Å; Q368-V392 PolarHBondContact O-N 3.06Å; I369-V392 CarbonylContact C-O 3.16Å; I369-V392 WeakPolarHBondContact CA-O 3.29Å; I369-V392 HydrophobicContact CG1-CB 4.42Å; F370-V392 PolarHBondContact N-O 3.09Å
393	I	98.9	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123	172	-49.8	-57.9	0	0	0	108.5	A80 A81 V83 L155 F370 F372 V375 A378 V395	A80-I393 CarbonylContact C-O 3.59Å; A80-I393 VanDerWaalsContact CA-O 3.23Å; A80-I393 WeakPolarHBondContact CA-O 3.12Å; A80-I393 WeakPolarHBondContact CB-O 3.38Å; A81-I393 PolarHBondContact N-O 2.74Å; A81-I393 PolarHBondContact O-N 3.34Å; V83-I393 HydrophobicContact CG2-CD1 3.88Å; V83-I393 HydrophobicContact CG2-CG1 3.92Å; L155-I393 HydrophobicContact CD2-CB 4.4Å; L155-I393 HydrophobicContact CD2-CG1 3.93Å; F370-I393 HydrophobicContact CB-CD1 3.9Å; F370-I393 CarbonylContact O-C 3.58Å; F370-I393 VanDerWaalsContact O-CA 3.31Å; F370-I393 WeakPolarHBondContact O-CA 3.29Å; F372-I393 HydrophobicContact CD2-CG2 3.97Å; V375-I393 HydrophobicContact CG2-CD1 4.22Å; V375-I393 HydrophobicContact CG2-CG1 4.28Å; V375-I393 HydrophobicContact CG2-CG2 3.82Å; A378-I393 HydrophobicContact CB-CD1 3.34Å; I393-V395 HydrophobicContact CG2-CG2 4.33Å
394	N	98.7	Very high	96.2	Very high	53 Å²	53	48 Å²	48	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.6	164.6	-74.5	-9.4	0	0	0	108.4	T176 F370 P371 F372	T176-N394 WeakPolarHBondContact CG2-OD1 3.41Å; T176-N394 PolarHBondContact OG1-OD1 2.81Å; F370-N394 PolarHBondContact O-N 3.23Å; P371-N394 CarbonylContact C-O 3.47Å; F372-N394 WeakPolarHBondContact CB-O 3.16Å; F372-N394 PolarHBondContact N-O 3.11Å
395	V	97.3	Very high	96.1	Very high	20 Å²	20	38.3 Å²	38.3	12%	0.121	22%	0.224	C	C	.	.			trans	-89.5	-39.3	-176.6	179	0	0	0	0	111	V78 H79 A81 F372 I393	V78-V395 HydrophobicContact CB-CB 4.48Å; V78-V395 HydrophobicContact CB-CG1 4.32Å; V78-V395 HydrophobicContact CG1-CB 4.06Å; V78-V395 HydrophobicContact CG1-CG1 4.35Å; V78-V395 HydrophobicContact CG1-CG2 3.67Å; H79-V395 PolarHBondContact O-N 2.89Å; A81-V395 HydrophobicContact CB-CG2 4.42Å; F372-V395 HydrophobicContact CD2-CB 4.28Å; F372-V395 HydrophobicContact CD2-CG1 4.1Å; F372-V395 HydrophobicContact CD2-CG2 3.9Å; F372-V395 HydrophobicContact CE2-CG1 4.12Å; F372-V395 HydrophobicContact CE2-CG2 4.13Å; F372-V395 HydrophobicContact CG-CG1 4.36Å; F372-V395 HydrophobicContact CZ-CG1 4.39Å; I393-V395 HydrophobicContact CG2-CG2 4.33Å
396	V	87.3	Confident	96.3	Very high	123 Å²	123	38.5 Å²	38.5	75%	0.745	21%	0.211	S	C	*	.			trans	-111.7	0	176.5	-179.4	0	0	0	0	110.4	V78 H79	V78-V396 VanDerWaalsContact O-CG2 3.29Å; V78-V396 WeakPolarHBondContact O-CG2 3.32Å; H79-V396 PolarHBondContact O-N 3.12Å

Retrieved 396 of 396 residues in 2152 ms (Link to these results)

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