A0A3Q0KT05_SCHMA Loading...

Carbon catabolite repressor protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KT05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 636 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.2	Very low	30.6	Very low	240 Å²	240	171.7 Å²	171.7	100%	1.182	86%	0.861	S	S	*	*				0	102.3	0	-87.7	178.4	166.8	0	0	108
2	I	34.4	Very low	31.9	Very low	175 Å²	175	166 Å²	166	90%	0.897	83%	0.829	S	S	*	*			trans	163.4	116.5	155	-81.9	156.3	0	0	0	103.9
3	Q	30.9	Very low	33.9	Very low	168 Å²	168	161.6 Å²	161.6	79%	0.785	81%	0.81	S	S	*	*			trans	-67.3	137	-164.1	-73.9	160.7	-31.6	0	0	113.1
4	Q	27.4	Very low	35.4	Very low	197 Å²	197	153.4 Å²	153.4	92%	0.921	78%	0.775	S	S	*	*			trans	-76.3	120.6	153	-76.3	177.7	-17.6	0	0	107.6
5	H	34.4	Very low	37.1	Very low	164 Å²	164	145.3 Å²	145.3	76%	0.759	73%	0.734	S	S	*	*			trans	-107	123.6	164.6	-115.5	-78.6	0	0	0	108.5
6	E	27.6	Very low	37.9	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	73%	0.725	S	S	*	*			trans	-58.9	131.9	173.3	-64.5	170.6	140.1	0	0	111.3
7	L	31.8	Very low	38.3	Very low	177 Å²	177	143.5 Å²	143.5	93%	0.927	72%	0.724	S	S	*	*			trans	-127.4	106.6	161.6	-93	158.3	0	0	0	107.9
8	G	26.5	Very low	38.2	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	73%	0.726	S	S	*	*			trans	-74.9	146	174.8	0	0	0	0	0	113.2
9	S	27.3	Very low	38.7	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	72%	0.717	S	S	*	*			trans	60.9	94.1	138.8	-167	0	0	0	0	120.1
10	K	31.8	Very low	39.3	Very low	141 Å²	141	135.7 Å²	135.7	61%	0.613	69%	0.691	S	S	*	*				-175.9	105.3	127.2	-99.2	179.7	178.8	-166.8	0	108.1	H12 D136	K10-H12 PolarHBondContact O-N 3.09Å; K10-D136 IonicContact NZ-OD1 3.83Å; K10-D136 PolarHBondContact NZ-OD1 3.32Å
11	R	33.2	Very low	39.6	Very low	246 Å²	246	136.9 Å²	136.9	93%	0.928	69%	0.693	S	S	*	*			trans	-72.2	97	172.8	-85	-176.7	174.3	174.6	-1.6	108.4	N13	R11-N13 PolarHBondContact O-N 2.62Å
12	H	46.1	Very low	40.7	Very low	103 Å²	103	129.2 Å²	129.2	48%	0.477	66%	0.663	S	S	.	*			trans	-73	113.8	168.1	-70.2	-49.8	0	0	0	109.2	K10 C14 D136	K10-H12 PolarHBondContact O-N 3.09Å; H12-C14 PolarHBondContact O-N 2.89Å; H12-D136 IonicContact CE1-OD2 3.73Å; H12-D136 PolarHBondContact CE1-OD2 2.97Å
13	N	57.6	Low	41.8	Very low	109 Å²	109	130 Å²	130	58%	0.583	66%	0.655	S	S	*	*			trans	-72.4	88	175.4	-74.6	-21	0	0	0	109.7	R11 N133	R11-N13 PolarHBondContact O-N 2.62Å; N13-N133 PolarHBondContact O-ND2 3.14Å; N13-N133 VanDerWaalsContact O-ND2 3.1Å
14	C	55.8	Low	43.1	Very low	46 Å²	46	128.2 Å²	128.2	31%	0.311	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-93.9	163.5	170.1	-63.9	0	0	0	0	110.9	H12 N16	H12-C14 PolarHBondContact O-N 2.89Å; C14-N16 PolarHBondContact O-N 3.27Å
15	L	60.9	Low	45	Very low	32 Å²	32	121.1 Å²	121.1	17%	0.168	62%	0.618	C	S	.	*	P	Polyproline II helix	trans	-62.2	117.6	162.7	-70.9	167.1	0	0	0	108.2	E17 T62 V64 N85 D87 I110	L15-E17 PolarHBondContact O-N 3.28Å; L15-T62 HydrophobicContact CD1-CG2 4.4Å; L15-V64 HydrophobicContact CD1-CG2 4.15Å; L15-N85 HydrophobicContact CD1-CB 3.95Å; L15-N85 HydrophobicContact CD2-CB 4.41Å; L15-D87 HydrophobicContact CD1-CB 3.85Å; L15-D87 HydrophobicContact CG-CB 4.47Å; L15-I110 HydrophobicContact CG-CD1 3.86Å
16	N	49.8	Very low	46.9	Very low	111 Å²	111	115.7 Å²	115.7	59%	0.594	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-63.7	131.8	-177.7	-79.6	-13.5	0	0	0	110.9	C14 L18 T19	C14-N16 PolarHBondContact O-N 3.27Å; N16-L18 PolarHBondContact O-N 3.38Å; N16-T19 PolarHBondContact O-N 2.65Å; N16-T19 PolarHBondContact O-OG1 3.01Å
17	E	43.8	Very low	49.2	Very low	150 Å²	150	112.6 Å²	112.6	70%	0.701	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-55.7	-26.3	175.2	-69.8	-177.3	172.2	0	0	112.9	L15 T19 M20	L15-E17 PolarHBondContact O-N 3.28Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 3.27Å; E17-M20 WeakPolarHBondContact O-CA 3.42Å; E17-M20 WeakPolarHBondContact O-CB 3.38Å; E17-M20 PolarHBondContact O-N 3.06Å
18	L	37.7	Very low	51.6	Low	144 Å²	144	109.2 Å²	109.2	75%	0.754	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-66.5	-23.4	175.6	-73.9	160.1	0	0	0	113.9	N16 M20	N16-L18 PolarHBondContact O-N 3.38Å; L18-M20 VanDerWaalsContact C-N 3.26Å
19	T	47.2	Very low	53.9	Low	90 Å²	90	107.9 Å²	107.9	55%	0.552	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-83.7	-4.1	172.2	60.2	0	0	0	0	112.8	N16 E17	N16-T19 PolarHBondContact O-N 2.65Å; N16-T19 PolarHBondContact O-OG1 3.01Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 3.27Å
20	M	50	Low	56.2	Low	40 Å²	40	107.5 Å²	107.5	20%	0.197	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-105.6	24	-175.6	-65.1	-150.7	66.9	0	0	114.2	E17 L18 S22 R40 N42 V64	E17-M20 WeakPolarHBondContact O-CA 3.42Å; E17-M20 WeakPolarHBondContact O-CB 3.38Å; E17-M20 PolarHBondContact O-N 3.06Å; L18-M20 VanDerWaalsContact C-N 3.26Å; M20-S22 PolarHBondContact O-N 3.24Å; M20-S22 VanDerWaalsContact O-N 3.09Å; M20-R40 HydrophobicContact CE-CB 4.23Å; M20-N42 HydrophobicContact CE-CB 4.23Å; M20-V64 HydrophobicContact CE-CG2 4.11Å; M20-V64 HydrophobicContact SD-CG2 3.79Å
21	Q	45.8	Very low	58.7	Low	161 Å²	161	108.5 Å²	108.5	75%	0.752	54%	0.536	S	S	*	.			trans	-69.1	109.7	171.1	-70.7	-172.7	-11.1	0	0	110.1
22	S	54	Low	61	Low	79 Å²	79	103.4 Å²	103.4	55%	0.552	53%	0.527	S	S	*	.			trans	-104.8	132	165.1	55.4	0	0	0	0	109.1	M20	M20-S22 PolarHBondContact O-N 3.24Å; M20-S22 VanDerWaalsContact O-N 3.09Å
23	R	57.4	Low	62.5	Low	190 Å²	190	101.3 Å²	101.3	72%	0.717	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-90.3	128.8	171.5	170.8	173.1	168.5	158.4	-2.8	108.9	M25	R23-M25 PolarHBondContact O-N 3.03Å
24	L	60.2	Low	63.1	Low	132 Å²	132	101.7 Å²	101.7	69%	0.691	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-61.9	132.7	166.4	-77.3	160.8	0	0	0	108.9	T26 W38	L24-T26 PolarHBondContact O-N 3.39Å; L24-W38 HydrophobicContact CD2-CH2 3.77Å; L24-W38 HydrophobicContact CD2-CZ2 4.22Å
25	M	65.9	Low	63.4	Low	47 Å²	47	107.8 Å²	107.8	23%	0.232	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-57.8	134.1	173	-172	178	-67.6	0	0	109.4	R23 E29 N30 K34 K35 S36	R23-M25 PolarHBondContact O-N 3.03Å; M25-E29 WeakPolarHBondContact CA-OE2 3.37Å; M25-E29 HydrophobicContact CG-CB 3.33Å; M25-E29 HydrophobicContact CG-CG 4.4Å; M25-E29 HydrophobicContact SD-CB 4.08Å; M25-N30 HydrophobicContact CG-CB 4.48Å; M25-N30 HydrophobicContact SD-CB 3.94Å; M25-K34 HydrophobicContact CE-CB 4.13Å; M25-K34 HydrophobicContact CE-CG 4.12Å; M25-K34 VanDerWaalsContact CE-O 3.28Å; M25-K34 WeakPolarHBondContact CE-O 3.46Å; M25-K34 HydrophobicContact SD-CB 4.29Å; M25-K35 WeakPolarHBondContact CE-O 3.38Å; M25-S36 VanDerWaalsContact CE-CA 3.42Å
26	T	74.4	Confident	63.5	Low	51 Å²	51	108.9 Å²	108.9	31%	0.313	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-74.6	157.5	175.5	61.1	0	0	0	0	110.7	L24 D28 E29 N30	L24-T26 PolarHBondContact O-N 3.39Å; T26-D28 PolarHBondContact O-N 2.88Å; T26-D28 VanDerWaalsContact O-N 3.14Å; T26-E29 PolarHBondContact N-OE2 3.33Å; T26-E29 PolarHBondContact O-N 3.29Å; T26-E29 WeakPolarHBondContact OG1-CG 3.39Å; T26-E29 PolarHBondContact OG1-N 3.26Å; T26-E29 PolarHBondContact OG1-OE2 2.96Å; T26-N30 PolarHBondContact O-N 3.16Å; T26-N30 VanDerWaalsContact O-N 3.08Å
27	D	77.1	Confident	64.2	Low	125 Å²	125	108.3 Å²	108.3	67%	0.668	56%	0.559	S	S	*	*	H	α-helix	trans	-55.2	-33.3	177	-69.7	-34.1	0	0	0	112.4	K31	D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 VanDerWaalsContact O-CG 3.27Å; D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.45Å
28	D	81.2	Confident	65.6	Low	106 Å²	106	106.7 Å²	106.7	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-70.2	-38.3	176.3	-65.7	-30.4	0	0	0	113	T26 N30 K31 N32	T26-D28 PolarHBondContact O-N 2.88Å; T26-D28 VanDerWaalsContact O-N 3.14Å; D28-N30 VanDerWaalsContact C-N 3.34Å; D28-K31 PolarHBondContact O-N 2.88Å; D28-N32 WeakPolarHBondContact O-CB 3.09Å; D28-N32 VanDerWaalsContact O-CG 3.31Å; D28-N32 PolarHBondContact O-N 3.34Å; D28-N32 VanDerWaalsContact O-N 3.08Å; D28-N32 PolarHBondContact O-ND2 3.35Å
29	E	75.7	Confident	67.8	Low	43 Å²	43	104.3 Å²	104.3	20%	0.201	53%	0.53	C	S	.	.	H	α-helix	trans	-66	-39.3	175.6	-75.5	178.2	127.3	0	0	111.3	M25 T26 N32 K34	M25-E29 WeakPolarHBondContact CA-OE2 3.37Å; M25-E29 HydrophobicContact CG-CB 3.33Å; M25-E29 HydrophobicContact CG-CG 4.4Å; M25-E29 HydrophobicContact SD-CB 4.08Å; T26-E29 PolarHBondContact N-OE2 3.33Å; T26-E29 PolarHBondContact O-N 3.29Å; T26-E29 WeakPolarHBondContact OG1-CG 3.39Å; T26-E29 PolarHBondContact OG1-N 3.26Å; T26-E29 PolarHBondContact OG1-OE2 2.96Å; E29-N32 PolarHBondContact O-N 2.83Å; E29-K34 HydrophobicContact CB-CB 4.4Å; E29-K34 HydrophobicContact CB-CD 4.06Å; E29-K34 HydrophobicContact CG-CD 4.08Å; E29-K34 WeakPolarHBondContact O-CB 3.45Å; E29-K34 PolarHBondContact O-N 2.92Å; E29-K34 IonicContact OE1-NZ 3.19Å; E29-K34 PolarHBondContact OE1-NZ 2.96Å
30	N	75.3	Confident	69.7	Low	112 Å²	112	105.3 Å²	105.3	60%	0.599	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-43.2	175.9	-170.1	26.8	0	0	0	111.4	M25 T26 D28 N32 G33	M25-N30 HydrophobicContact CG-CB 4.48Å; M25-N30 HydrophobicContact SD-CB 3.94Å; T26-N30 PolarHBondContact O-N 3.16Å; T26-N30 VanDerWaalsContact O-N 3.08Å; D28-N30 VanDerWaalsContact C-N 3.34Å; N30-N32 VanDerWaalsContact C-N 3.25Å; N30-N32 PolarHBondContact O-N 3.14Å; N30-G33 PolarHBondContact O-N 3.41Å; N30-G33 VanDerWaalsContact O-N 3.16Å
31	K	83.4	Confident	71.6	Confident	161 Å²	161	105.2 Å²	105.2	70%	0.7	52%	0.524	S	S	*	.	H	α-helix	trans	-62.4	-30.3	175.5	-76.3	172.1	-174.9	171	0	113.3	D27 D28 G33	D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 VanDerWaalsContact O-CG 3.27Å; D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.45Å; D28-K31 PolarHBondContact O-N 2.88Å; K31-G33 PolarHBondContact O-N 2.97Å
32	N	81.6	Confident	73.6	Confident	139 Å²	139	101 Å²	101	74%	0.743	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	10.5	177.9	-70.9	-21.2	0	0	0	114	D28 E29 N30 K34	D28-N32 WeakPolarHBondContact O-CB 3.09Å; D28-N32 VanDerWaalsContact O-CG 3.31Å; D28-N32 PolarHBondContact O-N 3.34Å; D28-N32 VanDerWaalsContact O-N 3.08Å; D28-N32 PolarHBondContact O-ND2 3.35Å; E29-N32 PolarHBondContact O-N 2.83Å; N30-N32 VanDerWaalsContact C-N 3.25Å; N30-N32 PolarHBondContact O-N 3.14Å; N32-K34 VanDerWaalsContact C-N 3.29Å; N32-K34 PolarHBondContact O-N 3.03Å
33	G	78.1	Confident	75.3	Confident	60 Å²	60	99.7 Å²	99.7	62%	0.619	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	16.5	175.6	0	0	0	0	0	114.6	N30 K31 K35	N30-G33 PolarHBondContact O-N 3.41Å; N30-G33 VanDerWaalsContact O-N 3.16Å; K31-G33 PolarHBondContact O-N 2.97Å; G33-K35 PolarHBondContact O-N 2.75Å
34	K	69	Low	76.5	Confident	116 Å²	116	94.9 Å²	94.9	50%	0.504	49%	0.485	S	S	.	.			trans	-65.4	124.9	174	-165.3	174	-179.6	176.3	0	108.5	M25 E29 N32	M25-K34 HydrophobicContact CE-CB 4.13Å; M25-K34 HydrophobicContact CE-CG 4.12Å; M25-K34 VanDerWaalsContact CE-O 3.28Å; M25-K34 WeakPolarHBondContact CE-O 3.46Å; M25-K34 HydrophobicContact SD-CB 4.29Å; E29-K34 HydrophobicContact CB-CB 4.4Å; E29-K34 HydrophobicContact CB-CD 4.06Å; E29-K34 HydrophobicContact CG-CD 4.08Å; E29-K34 WeakPolarHBondContact O-CB 3.45Å; E29-K34 PolarHBondContact O-N 2.92Å; E29-K34 IonicContact OE1-NZ 3.19Å; E29-K34 PolarHBondContact OE1-NZ 2.96Å; N32-K34 VanDerWaalsContact C-N 3.29Å; N32-K34 PolarHBondContact O-N 3.03Å
35	K	63.9	Low	77.5	Confident	174 Å²	174	90.1 Å²	90.1	76%	0.757	47%	0.467	S	S	*	.			trans	-74.6	139.8	174.4	-70.6	-173.5	178.7	-179.3	0	109.8	M25 G33 D37	M25-K35 WeakPolarHBondContact CE-O 3.38Å; G33-K35 PolarHBondContact O-N 2.75Å; K35-D37 PolarHBondContact O-N 2.77Å
36	S	62.8	Low	78.6	Confident	55 Å²	55	92.8 Å²	92.8	39%	0.385	49%	0.489	S	S	.	.			trans	-86.5	108.8	178.6	-168.1	0	0	0	0	108.9	M25 W38	M25-S36 VanDerWaalsContact CE-CA 3.42Å; S36-W38 PolarHBondContact O-N 3.25Å; S36-W38 VanDerWaalsContact OG-CD1 3.31Å; S36-W38 PolarHBondContact OG-NE1 2.92Å
37	D	64.1	Low	79.5	Confident	100 Å²	100	92.8 Å²	92.8	54%	0.535	49%	0.488	S	S	.	.			trans	-96.4	86.4	-179.5	-57.5	-32.6	0	0	0	110.1	K35 F39	K35-D37 PolarHBondContact O-N 2.77Å; D37-F39 HydrophobicContact CB-CD1 4.42Å; D37-F39 HydrophobicContact CB-CD2 3.84Å; D37-F39 HydrophobicContact CB-CE1 3.84Å; D37-F39 HydrophobicContact CB-CE2 3.17Å; D37-F39 HydrophobicContact CB-CG 4.44Å; D37-F39 HydrophobicContact CB-CZ 3.19Å; D37-F39 WeakPolarHBondContact O-CD2 3.48Å; D37-F39 PolarHBondContact O-N 3.17Å
38	W	72.7	Confident	80.3	Confident	115 Å²	115	93.8 Å²	93.8	44%	0.436	49%	0.487	S	S	.	.			trans	-77.4	75.7	173.6	-62.6	94.7	0	0	0	110.2	L24 S36 R40 Y59	L24-W38 HydrophobicContact CD2-CH2 3.77Å; L24-W38 HydrophobicContact CD2-CZ2 4.22Å; S36-W38 PolarHBondContact O-N 3.25Å; S36-W38 VanDerWaalsContact OG-CD1 3.31Å; S36-W38 PolarHBondContact OG-NE1 2.92Å; W38-R40 PolarHBondContact O-N 3.5Å; W38-R40 VanDerWaalsContact O-N 3.14Å; W38-Y59 WeakPolarHBondContact O-CE2 3.07Å
39	F	83.6	Confident	80.7	Confident	95 Å²	95	94.6 Å²	94.6	42%	0.417	49%	0.491	S	S	.	.			trans	-69.6	-8.2	178.7	-56.1	-71.8	0	0	0	113.7	D37 Y59 T61 T62	D37-F39 HydrophobicContact CB-CD1 4.42Å; D37-F39 HydrophobicContact CB-CD2 3.84Å; D37-F39 HydrophobicContact CB-CE1 3.84Å; D37-F39 HydrophobicContact CB-CE2 3.17Å; D37-F39 HydrophobicContact CB-CG 4.44Å; D37-F39 HydrophobicContact CB-CZ 3.19Å; D37-F39 WeakPolarHBondContact O-CD2 3.48Å; D37-F39 PolarHBondContact O-N 3.17Å; F39-Y59 WeakPolarHBondContact CD1-O 3.47Å; F39-T61 HydrophobicContact CB-CG2 4.43Å; F39-T61 HydrophobicContact CD1-CG2 4.4Å; F39-T61 PolarHBondContact O-N 3.43Å; F39-T61 PolarHBondContact O-OG1 3.26Å; F39-T62 PolarHBondContact O-N 3.31Å
40	R	87.6	Confident	81.4	Confident	110 Å²	110	93.2 Å²	93.2	42%	0.415	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.3	-175.7	-47.8	-166.1	-178.8	103.8	-0.6	110.5	M20 W38 T62	M20-R40 HydrophobicContact CE-CB 4.23Å; W38-R40 PolarHBondContact O-N 3.5Å; W38-R40 VanDerWaalsContact O-N 3.14Å; R40-T62 CarbonylContact C-O 3.56Å; R40-T62 VanDerWaalsContact CA-O 3.28Å; R40-T62 WeakPolarHBondContact CA-O 3.1Å; R40-T62 HydrophobicContact CG-CG2 4.49Å
41	L	89.1	Confident	82.1	Confident	39 Å²	39	90.8 Å²	90.8	20%	0.204	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.1	174.3	-179.8	61.5	0	0	0	109.3	L43 L54 I60 T62 L63 V64	L41-L43 HydrophobicContact CD1-CD2 4.04Å; L41-L43 HydrophobicContact CD1-CG 4.36Å; L41-L43 HydrophobicContact CD2-CD1 4.35Å; L41-L43 HydrophobicContact CD2-CG 4.45Å; L41-L43 HydrophobicContact CG-CD2 4.39Å; L41-L43 HydrophobicContact CG-CG 4.17Å; L41-L54 HydrophobicContact CD2-CD1 4.37Å; L41-I60 HydrophobicContact CB-CD1 3.98Å; L41-I60 HydrophobicContact CD2-CD1 4.03Å; L41-T62 PolarHBondContact N-O 2.64Å; L41-L63 HydrophobicContact CB-CD1 3.98Å; L41-L63 HydrophobicContact CD2-CD1 3.9Å; L41-L63 HydrophobicContact CG-CD1 4.03Å; L41-V64 PolarHBondContact O-N 2.63Å
42	N	89.3	Confident	82.5	Confident	73 Å²	73	84.2 Å²	84.2	39%	0.39	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	174.4	-170.5	2.4	0	0	0	109.7	M20 T44 V64	M20-N42 HydrophobicContact CE-CB 4.23Å; N42-T44 WeakPolarHBondContact OD1-CG2 3.41Å; N42-V64 CarbonylContact C-O 3.58Å; N42-V64 VanDerWaalsContact CA-O 3.29Å; N42-V64 WeakPolarHBondContact CA-O 3.45Å; N42-V64 HydrophobicContact CB-CB 4.28Å; N42-V64 WeakPolarHBondContact OD1-CG1 3.4Å; N42-V64 PolarHBondContact OD1-O 2.72Å
43	L	88.5	Confident	83	Confident	50 Å²	50	81.9 Å²	81.9	26%	0.262	45%	0.445	S	S	.	.			trans	-119.9	108.8	175.6	-56.5	175.7	0	0	0	108.5	L41 F50 L54 V64 I65 N68	L41-L43 HydrophobicContact CD1-CD2 4.04Å; L41-L43 HydrophobicContact CD1-CG 4.36Å; L41-L43 HydrophobicContact CD2-CD1 4.35Å; L41-L43 HydrophobicContact CD2-CG 4.45Å; L41-L43 HydrophobicContact CG-CD2 4.39Å; L41-L43 HydrophobicContact CG-CG 4.17Å; L43-F50 HydrophobicContact CD1-CD2 3.83Å; L43-F50 HydrophobicContact CD1-CE2 3.61Å; L43-L54 HydrophobicContact CD1-CD1 3.9Å; L43-V64 PolarHBondContact N-O 3Å; L43-I65 HydrophobicContact CB-CG2 4.22Å; L43-I65 HydrophobicContact CD1-CG2 4.26Å; L43-I65 WeakPolarHBondContact O-CA 3.28Å; L43-N68 PolarHBondContact O-ND2 3.13Å
44	T	82.5	Confident	83.5	Confident	90 Å²	90	81.6 Å²	81.6	55%	0.552	43%	0.429	S	S	*	.			trans	-120.1	138.6	175.8	55.4	0	0	0	0	110.2	N42	N42-T44 WeakPolarHBondContact OD1-CG2 3.41Å
45	G	80.9	Confident	84.6	Confident	31 Å²	31	76 Å²	76	32%	0.32	41%	0.405	S	S	.	.	S	Bend	trans	151.8	-164.3	177.5	0	0	0	0	0	112	V47 N68	G45-V47 PolarHBondContact O-N 3.36Å; G45-V47 VanDerWaalsContact O-N 3.09Å; G45-N68 PolarHBondContact N-OD1 2.79Å; G45-N68 VanDerWaalsContact N-OD1 3.12Å; G45-N68 WeakPolarHBondContact O-CA 3.45Å; G45-N68 PolarHBondContact O-OD1 3.18Å
46	P	90.6	Very high	85.9	Confident	104 Å²	104	74.5 Å²	74.5	68%	0.675	40%	0.4	S	S	*	.	S	Bend	trans	-83.8	36	175.7	34.8	-35.2	0	0	0	112.2	K48	P46-K48 PolarHBondContact O-N 3.2Å
47	V	92.6	Very high	87.2	Confident	50 Å²	50	74.3 Å²	74.3	30%	0.303	40%	0.395	S	S	.	.			trans	-62.9	125.3	-173.9	-178.2	0	0	0	0	109.7	G45 N49 N68 N69 L70	G45-V47 PolarHBondContact O-N 3.36Å; G45-V47 VanDerWaalsContact O-N 3.09Å; V47-N49 WeakPolarHBondContact CG1-O 3.22Å; V47-N68 HydrophobicContact CB-CB 4.18Å; V47-N68 WeakPolarHBondContact CB-OD1 3.48Å; V47-N68 WeakPolarHBondContact CG2-OD1 3.22Å; V47-N68 PolarHBondContact N-OD1 3Å; V47-N69 CarbonylContact O-C 3.3Å; V47-N69 VanDerWaalsContact O-C 3.3Å; V47-N69 WeakPolarHBondContact O-CA 3.26Å; V47-N69 PolarHBondContact O-N 2.9Å; V47-L70 HydrophobicContact CG1-CD2 4.1Å; V47-L70 PolarHBondContact O-N 3.42Å
48	K	93.1	Very high	88.4	Confident	147 Å²	147	72.6 Å²	72.6	64%	0.639	39%	0.388	S	S	*	.			trans	-97.2	-23.1	-179.9	-63.5	-175.8	-179.8	-178.3	0	113.4	P46 N69	P46-K48 PolarHBondContact O-N 3.2Å; K48-N69 HydrophobicContact CG-CB 4.12Å
49	N	90.2	Very high	89.2	Confident	122 Å²	122	72 Å²	72	65%	0.652	39%	0.386	S	S	*	.			trans	-135.7	131.4	-178.8	-66.6	-61.2	0	0	0	110.1	V47	V47-N49 WeakPolarHBondContact CG1-O 3.22Å
50	F	90.5	Very high	89.5	Confident	15 Å²	15	67.6 Å²	67.6	7%	0.066	37%	0.367	C	S	.	.			trans	-92.5	121.1	168.1	-175.3	-102.7	0	0	0	108.7	L43 G52 L54 L63 I65 L70 P74 L77	L43-F50 HydrophobicContact CD1-CD2 3.83Å; L43-F50 HydrophobicContact CD1-CE2 3.61Å; F50-G52 PolarHBondContact O-N 3.47Å; F50-L54 HydrophobicContact CD2-CD1 4.29Å; F50-L54 HydrophobicContact CE1-CB 4.48Å; F50-L54 HydrophobicContact CE2-CD1 3.81Å; F50-L54 HydrophobicContact CZ-CB 4.04Å; F50-L54 HydrophobicContact CZ-CD1 4.16Å; F50-L63 HydrophobicContact CE1-CD2 4.3Å; F50-L63 HydrophobicContact CE2-CD1 4.06Å; F50-L63 HydrophobicContact CE2-CD2 4.23Å; F50-L63 HydrophobicContact CZ-CD1 4.11Å; F50-L63 HydrophobicContact CZ-CD2 3.7Å; F50-I65 HydrophobicContact CD2-CG2 4.02Å; F50-I65 HydrophobicContact CE2-CG2 3.9Å; F50-L70 HydrophobicContact CB-CD1 4.37Å; F50-L70 HydrophobicContact CB-CD2 4.05Å; F50-P74 HydrophobicContact CD1-CG 3.65Å; F50-P74 HydrophobicContact CE1-CG 4.39Å; F50-L77 HydrophobicContact CE1-CD1 4.25Å
51	S	90.9	Very high	89.8	Confident	61 Å²	61	64.3 Å²	64.3	43%	0.427	36%	0.359	S	S	.	.			trans	-72.3	128	-174.7	-179.7	0	0	0	0	111.6	T53 L54	S51-T53 PolarHBondContact O-N 3.48Å; S51-T53 PolarHBondContact OG-N 3.35Å; S51-T53 PolarHBondContact OG-OG1 3.34Å; S51-L54 WeakPolarHBondContact O-CB 3.47Å; S51-L54 PolarHBondContact O-N 2.94Å; S51-L54 VanDerWaalsContact O-N 3.09Å
52	G	90.4	Very high	90	Very high	23 Å²	23	62.9 Å²	62.9	24%	0.237	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26	174.1	0	0	0	0	0	113.3	F50 L54 C55	F50-G52 PolarHBondContact O-N 3.47Å; G52-L54 VanDerWaalsContact C-N 3.25Å; G52-L54 PolarHBondContact O-N 3.39Å; G52-C55 WeakPolarHBondContact O-CB 3.33Å; G52-C55 PolarHBondContact O-N 3.05Å
53	T	91.8	Very high	90.3	Very high	89 Å²	89	59.4 Å²	59.4	55%	0.546	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.5	-30.8	176.3	-46	0	0	0	0	112.6	S51 C55 Q56	S51-T53 PolarHBondContact O-N 3.48Å; S51-T53 PolarHBondContact OG-N 3.35Å; S51-T53 PolarHBondContact OG-OG1 3.34Å; T53-C55 PolarHBondContact O-N 3.38Å; T53-Q56 VanDerWaalsContact O-CB 3.31Å; T53-Q56 WeakPolarHBondContact O-CB 3.4Å; T53-Q56 WeakPolarHBondContact O-CG 3.44Å; T53-Q56 PolarHBondContact O-N 3.14Å; T53-Q56 VanDerWaalsContact O-N 3.12Å
54	L	90.2	Very high	90.6	Very high	54 Å²	54	57.1 Å²	57.1	28%	0.283	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.7	174.7	-66.2	173.7	0	0	0	112.1	L41 L43 F50 S51 G52 Q56 L57	L41-L54 HydrophobicContact CD2-CD1 4.37Å; L43-L54 HydrophobicContact CD1-CD1 3.9Å; F50-L54 HydrophobicContact CD2-CD1 4.29Å; F50-L54 HydrophobicContact CE1-CB 4.48Å; F50-L54 HydrophobicContact CE2-CD1 3.81Å; F50-L54 HydrophobicContact CZ-CB 4.04Å; F50-L54 HydrophobicContact CZ-CD1 4.16Å; S51-L54 WeakPolarHBondContact O-CB 3.47Å; S51-L54 PolarHBondContact O-N 2.94Å; S51-L54 VanDerWaalsContact O-N 3.09Å; G52-L54 VanDerWaalsContact C-N 3.25Å; G52-L54 PolarHBondContact O-N 3.39Å; L54-Q56 PolarHBondContact O-N 2.98Å; L54-L57 HydrophobicContact CD2-CD1 4.39Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 WeakPolarHBondContact O-CG 3.13Å; L54-L57 PolarHBondContact O-N 3.31Å
55	C	90.8	Very high	91.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-77.3	-1.5	177.5	-48.3	0	0	0	0	113	G52 T53 E76 N79 L80	G52-C55 WeakPolarHBondContact O-CB 3.33Å; G52-C55 PolarHBondContact O-N 3.05Å; T53-C55 PolarHBondContact O-N 3.38Å; C55-E76 HydrophobicContact CB-CB 3.85Å; C55-E76 WeakPolarHBondContact CB-O 3.05Å; C55-E76 VanDerWaalsContact SG-C 3.59Å; C55-N79 HydrophobicContact CB-CB 4.47Å; C55-N79 WeakPolarHBondContact O-CB 3.19Å; C55-L80 HydrophobicContact CB-CD2 4.48Å; C55-L80 HydrophobicContact CB-CG 4.4Å
56	Q	90.7	Very high	91.7	Very high	141 Å²	141	52.8 Å²	52.8	66%	0.659	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-77.2	-14	168.1	-62.7	176.3	-8.6	0	0	112.1	T53 L54 T58	T53-Q56 VanDerWaalsContact O-CB 3.31Å; T53-Q56 WeakPolarHBondContact O-CB 3.4Å; T53-Q56 WeakPolarHBondContact O-CG 3.44Å; T53-Q56 PolarHBondContact O-N 3.14Å; T53-Q56 VanDerWaalsContact O-N 3.12Å; L54-Q56 PolarHBondContact O-N 2.98Å; Q56-T58 PolarHBondContact O-N 3.11Å
57	L	90.5	Very high	91.9	Very high	52 Å²	52	52.2 Å²	52.2	27%	0.272	28%	0.278	S	S	.	.			trans	-80.9	60.7	177.1	-52.1	-177.4	0	0	0	110.1	L54 Y59 I60 L80	L54-L57 HydrophobicContact CD2-CD1 4.39Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 WeakPolarHBondContact O-CG 3.13Å; L54-L57 PolarHBondContact O-N 3.31Å; L57-Y59 HydrophobicContact CB-CE1 3.94Å; L57-Y59 HydrophobicContact CB-CE2 4.44Å; L57-Y59 HydrophobicContact CD2-CE1 3.89Å; L57-Y59 WeakPolarHBondContact CD2-OH 3.24Å; L57-Y59 HydrophobicContact CG-CE1 4.48Å; L57-Y59 PolarHBondContact O-N 3.49Å; L57-I60 HydrophobicContact CB-CD1 3.54Å; L57-I60 HydrophobicContact CB-CG1 3.87Å; L57-I60 HydrophobicContact CD1-CD1 3.89Å; L57-I60 HydrophobicContact CG-CD1 4.34Å; L57-I60 WeakPolarHBondContact O-CB 3.49Å; L57-I60 WeakPolarHBondContact O-CG1 3.27Å; L57-I60 PolarHBondContact O-N 3.25Å; L57-L80 VanDerWaalsContact O-CD2 3.27Å; L57-L80 WeakPolarHBondContact O-CD2 3.39Å
58	T	90.3	Very high	92.1	Very high	64 Å²	64	50.2 Å²	50.2	39%	0.393	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.3	-171.9	61.2	0	0	0	0	113.9	Q56 I60 N79 N82	Q56-T58 PolarHBondContact O-N 3.11Å; T58-I60 VanDerWaalsContact C-N 3.33Å; T58-N79 WeakPolarHBondContact CG2-O 3.31Å; T58-N82 WeakPolarHBondContact O-CB 3.33Å; T58-N82 PolarHBondContact O-ND2 3.25Å
59	Y	88.6	Confident	92.3	Very high	101 Å²	101	45.2 Å²	45.2	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11	173.9	59.3	-99.2	0	0	0	114.2	W38 F39 L57 T61	W38-Y59 WeakPolarHBondContact O-CE2 3.07Å; F39-Y59 WeakPolarHBondContact CD1-O 3.47Å; L57-Y59 HydrophobicContact CB-CE1 3.94Å; L57-Y59 HydrophobicContact CB-CE2 4.44Å; L57-Y59 HydrophobicContact CD2-CE1 3.89Å; L57-Y59 WeakPolarHBondContact CD2-OH 3.24Å; L57-Y59 HydrophobicContact CG-CE1 4.48Å; L57-Y59 PolarHBondContact O-N 3.49Å; Y59-T61 PolarHBondContact O-N 3.12Å
60	I	91.2	Very high	92.6	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	22%	0.215	C	C	.	.			trans	-65.3	129.4	179.1	-67.6	174.4	0	0	0	110	L41 L57 T58 T62 L63 N82 L83	L41-I60 HydrophobicContact CB-CD1 3.98Å; L41-I60 HydrophobicContact CD2-CD1 4.03Å; L57-I60 HydrophobicContact CB-CD1 3.54Å; L57-I60 HydrophobicContact CB-CG1 3.87Å; L57-I60 HydrophobicContact CD1-CD1 3.89Å; L57-I60 HydrophobicContact CG-CD1 4.34Å; L57-I60 WeakPolarHBondContact O-CB 3.49Å; L57-I60 WeakPolarHBondContact O-CG1 3.27Å; L57-I60 PolarHBondContact O-N 3.25Å; T58-I60 VanDerWaalsContact C-N 3.33Å; I60-T62 WeakPolarHBondContact CG2-O 3.33Å; I60-L63 HydrophobicContact CG2-CB 4.46Å; I60-N82 CarbonylContact O-C 3.52Å; I60-L83 HydrophobicContact CG2-CD1 3.82Å
61	T	93	Very high	92.9	Very high	41 Å²	41	44.2 Å²	44.2	25%	0.252	24%	0.237	S	C	.	.			trans	-108.2	-18.8	176	65.9	0	0	0	0	112.8	F39 Y59 N82 V84 N85	F39-T61 HydrophobicContact CB-CG2 4.43Å; F39-T61 HydrophobicContact CD1-CG2 4.4Å; F39-T61 PolarHBondContact O-N 3.43Å; F39-T61 PolarHBondContact O-OG1 3.26Å; Y59-T61 PolarHBondContact O-N 3.12Å; T61-N82 WeakPolarHBondContact CA-O 3.34Å; T61-V84 WeakPolarHBondContact O-CA 3.5Å; T61-V84 PolarHBondContact O-N 3.24Å; T61-N85 PolarHBondContact O-N 3.49Å
62	T	93.7	Very high	93.2	Very high	9 Å²	9	50 Å²	50	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.1	177.7	-57.3	0	0	0	0	110.5	L15 F39 R40 L41 I60 V64 N85	L15-T62 HydrophobicContact CD1-CG2 4.4Å; F39-T62 PolarHBondContact O-N 3.31Å; R40-T62 CarbonylContact C-O 3.56Å; R40-T62 VanDerWaalsContact CA-O 3.28Å; R40-T62 WeakPolarHBondContact CA-O 3.1Å; R40-T62 HydrophobicContact CG-CG2 4.49Å; L41-T62 PolarHBondContact N-O 2.64Å; I60-T62 WeakPolarHBondContact CG2-O 3.33Å; T62-V64 HydrophobicContact CG2-CG2 4.18Å; T62-N85 CarbonylContact C-O 3.5Å; T62-N85 WeakPolarHBondContact CA-O 3.23Å; T62-N85 HydrophobicContact CG2-CB 4.03Å; T62-N85 PolarHBondContact OG1-ND2 3.19Å
63	L	94.8	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.9	176.6	178.6	60.3	0	0	0	109.4	L41 F50 I60 I65 L77 L80 L83 N85 L86 D87	L41-L63 HydrophobicContact CB-CD1 3.98Å; L41-L63 HydrophobicContact CD2-CD1 3.9Å; L41-L63 HydrophobicContact CG-CD1 4.03Å; F50-L63 HydrophobicContact CE1-CD2 4.3Å; F50-L63 HydrophobicContact CE2-CD1 4.06Å; F50-L63 HydrophobicContact CE2-CD2 4.23Å; F50-L63 HydrophobicContact CZ-CD1 4.11Å; F50-L63 HydrophobicContact CZ-CD2 3.7Å; I60-L63 HydrophobicContact CG2-CB 4.46Å; L63-I65 HydrophobicContact CD1-CG2 3.72Å; L63-I65 HydrophobicContact CD2-CG2 4.49Å; L63-I65 HydrophobicContact CG-CG2 3.97Å; L63-L77 HydrophobicContact CD2-CD1 3.76Å; L63-L80 HydrophobicContact CD2-CD1 4.09Å; L63-L83 HydrophobicContact CB-CD1 3.7Å; L63-L83 HydrophobicContact CB-CD2 4.29Å; L63-N85 PolarHBondContact N-O 2.78Å; L63-L86 HydrophobicContact CB-CD1 4.05Å; L63-L86 HydrophobicContact CD2-CD1 3.92Å; L63-L86 HydrophobicContact CG-CD1 3.96Å; L63-L86 WeakPolarHBondContact O-CA 3.26Å; L63-D87 PolarHBondContact O-N 2.85Å
64	V	94.3	Very high	93.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.4	175.5	-178.2	0	0	0	0	108.2	L15 M20 L41 N42 L43 T62 K66 D87	L15-V64 HydrophobicContact CD1-CG2 4.15Å; M20-V64 HydrophobicContact CE-CG2 4.11Å; M20-V64 HydrophobicContact SD-CG2 3.79Å; L41-V64 PolarHBondContact O-N 2.63Å; N42-V64 CarbonylContact C-O 3.58Å; N42-V64 VanDerWaalsContact CA-O 3.29Å; N42-V64 WeakPolarHBondContact CA-O 3.45Å; N42-V64 HydrophobicContact CB-CB 4.28Å; N42-V64 WeakPolarHBondContact OD1-CG1 3.4Å; N42-V64 PolarHBondContact OD1-O 2.72Å; L43-V64 PolarHBondContact N-O 3Å; T62-V64 HydrophobicContact CG2-CG2 4.18Å; V64-K66 HydrophobicContact CG1-CB 4.37Å; V64-K66 HydrophobicContact CG1-CD 4.02Å; V64-K66 HydrophobicContact CG1-CG 3.82Å; V64-D87 HydrophobicContact CG1-CB 4.37Å; V64-D87 HydrophobicContact CG2-CB 4.41Å
65	I	94.7	Very high	93.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.			trans	-127.4	28.2	178.2	59	-177.5	0	0	0	110.4	L43 F50 L63 N68 L70 L73 L86 D87 A88 N91	L43-I65 HydrophobicContact CB-CG2 4.22Å; L43-I65 HydrophobicContact CD1-CG2 4.26Å; L43-I65 WeakPolarHBondContact O-CA 3.28Å; F50-I65 HydrophobicContact CD2-CG2 4.02Å; F50-I65 HydrophobicContact CE2-CG2 3.9Å; L63-I65 HydrophobicContact CD1-CG2 3.72Å; L63-I65 HydrophobicContact CD2-CG2 4.49Å; L63-I65 HydrophobicContact CG-CG2 3.97Å; I65-N68 VanDerWaalsContact C-ND2 3.25Å; I65-N68 PolarHBondContact O-ND2 3.44Å; I65-L70 HydrophobicContact CB-CD1 4.18Å; I65-L70 HydrophobicContact CD1-CD1 3.78Å; I65-L70 HydrophobicContact CG1-CD1 4.19Å; I65-L73 HydrophobicContact CD1-CD2 3.52Å; I65-L86 HydrophobicContact CD1-CD1 4.26Å; I65-L86 HydrophobicContact CG1-CD1 4.44Å; I65-D87 CarbonylContact C-O 3.46Å; I65-D87 WeakPolarHBondContact CG1-O 3.44Å; I65-D87 PolarHBondContact N-O 3.05Å; I65-A88 HydrophobicContact CD1-CB 3.85Å; I65-A88 HydrophobicContact CG1-CB 3.64Å; I65-N91 PolarHBondContact O-ND2 3.04Å
66	K	93.5	Very high	94.2	Very high	28 Å²	28	50.6 Å²	50.6	12%	0.122	25%	0.25	C	S	.	.			trans	-67.3	155.8	179.6	74.4	-178.3	-178.2	-179.1	0	112.4	V64 N68 D87 S89	V64-K66 HydrophobicContact CG1-CB 4.37Å; V64-K66 HydrophobicContact CG1-CD 4.02Å; V64-K66 HydrophobicContact CG1-CG 3.82Å; K66-N68 PolarHBondContact O-ND2 2.55Å; K66-N68 VanDerWaalsContact O-ND2 3.13Å; K66-D87 PolarHBondContact N-O 2.97Å; K66-S89 CarbonylContact C-O 3.51Å; K66-S89 WeakPolarHBondContact CA-O 3.46Å; K66-S89 WeakPolarHBondContact CB-OG 3.33Å
67	N	95	Very high	94.4	Very high	92 Å²	92	43.9 Å²	43.9	49%	0.492	22%	0.219	S	C	.	.	S	Bend	trans	57.4	51.3	177.6	-60.7	-36.9	0	0	0	112.8	S89 C90	N67-S89 PolarHBondContact N-O 2.82Å; N67-C90 VanDerWaalsContact CA-O 3.29Å; N67-C90 WeakPolarHBondContact CA-O 3.43Å; N67-C90 PolarHBondContact N-O 3.13Å; N67-C90 WeakPolarHBondContact OD1-CB 3.47Å; N67-C90 PolarHBondContact OD1-SG 3.32Å; N67-C90 VanDerWaalsContact OD1-SG 3.4Å
68	N	95.7	Very high	94.6	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-123.9	-174	174	-70.5	-79.1	0	0	0	111	L43 G45 V47 I65 K66 L70 C90 N91	L43-N68 PolarHBondContact O-ND2 3.13Å; G45-N68 PolarHBondContact N-OD1 2.79Å; G45-N68 VanDerWaalsContact N-OD1 3.12Å; G45-N68 WeakPolarHBondContact O-CA 3.45Å; G45-N68 PolarHBondContact O-OD1 3.18Å; V47-N68 HydrophobicContact CB-CB 4.18Å; V47-N68 WeakPolarHBondContact CB-OD1 3.48Å; V47-N68 WeakPolarHBondContact CG2-OD1 3.22Å; V47-N68 PolarHBondContact N-OD1 3Å; I65-N68 VanDerWaalsContact C-ND2 3.25Å; I65-N68 PolarHBondContact O-ND2 3.44Å; K66-N68 PolarHBondContact O-ND2 2.55Å; K66-N68 VanDerWaalsContact O-ND2 3.13Å; N68-L70 HydrophobicContact CB-CG 4.09Å; N68-C90 PolarHBondContact N-O 3.09Å; N68-N91 WeakPolarHBondContact CA-OD1 3.47Å; N68-N91 WeakPolarHBondContact CB-OD1 3.43Å; N68-N91 PolarHBondContact O-OD1 2.92Å
69	N	96.6	Very high	94.8	Very high	41 Å²	41	42.5 Å²	42.5	22%	0.219	21%	0.21	C	C	.	.			trans	-111.4	34.3	176.4	-67.4	-55.1	0	0	0	111.2	V47 K48 E71 R92	V47-N69 CarbonylContact O-C 3.3Å; V47-N69 VanDerWaalsContact O-C 3.3Å; V47-N69 WeakPolarHBondContact O-CA 3.26Å; V47-N69 PolarHBondContact O-N 2.9Å; K48-N69 HydrophobicContact CG-CB 4.12Å; N69-E71 PolarHBondContact O-N 2.85Å; N69-R92 PolarHBondContact OD1-NE 3.39Å; N69-R92 PolarHBondContact OD1-NH2 2.8Å
70	L	96.9	Very high	95.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.191	C	C	.	.			trans	-71.7	123.2	-179	-59.2	173.9	0	0	0	110	V47 F50 I65 N68 L73 N91 R92 L93	V47-L70 HydrophobicContact CG1-CD2 4.1Å; V47-L70 PolarHBondContact O-N 3.42Å; F50-L70 HydrophobicContact CB-CD1 4.37Å; F50-L70 HydrophobicContact CB-CD2 4.05Å; I65-L70 HydrophobicContact CB-CD1 4.18Å; I65-L70 HydrophobicContact CD1-CD1 3.78Å; I65-L70 HydrophobicContact CG1-CD1 4.19Å; N68-L70 HydrophobicContact CB-CG 4.09Å; L70-L73 HydrophobicContact CD1-CD2 4.11Å; L70-N91 HydrophobicContact CB-CB 4.38Å; L70-N91 VanDerWaalsContact CB-OD1 3.28Å; L70-N91 WeakPolarHBondContact CB-OD1 3.23Å; L70-N91 WeakPolarHBondContact CG-OD1 3.44Å; L70-N91 PolarHBondContact N-OD1 3.04Å; L70-R92 CarbonylContact O-C 3.19Å; L70-R92 VanDerWaalsContact O-CA 3.31Å; L70-R92 WeakPolarHBondContact O-CA 3.32Å; L70-R92 PolarHBondContact O-N 2.65Å; L70-L93 HydrophobicContact CB-CD2 4.05Å; L70-L93 PolarHBondContact O-N 3.08Å
71	E	97	Very high	95.1	Very high	115 Å²	115	40.9 Å²	40.9	54%	0.537	21%	0.21	S	C	.	.	S	Bend	trans	-90.6	-21.5	174.6	-67.6	175.8	-170.6	0	0	112.3	N69 R92	N69-E71 PolarHBondContact O-N 2.85Å; E71-R92 WeakPolarHBondContact CA-O 3.49Å; E71-R92 HydrophobicContact CG-CB 4.09Å
72	R	96.6	Very high	95	Very high	182 Å²	182	42.4 Å²	42.4	69%	0.687	22%	0.217	S	C	*	.			trans	-151	157.1	178	62.9	-178	-178.4	169.7	2	111.2
73	L	96.5	Very high	95.1	Very high	9 Å²	9	42 Å²	42	5%	0.047	21%	0.214	C	C	.	.			trans	-100.3	142.6	164.7	-57.7	175.8	0	0	0	109.2	I65 L70 L77 L93 L96 P97	I65-L73 HydrophobicContact CD1-CD2 3.52Å; L70-L73 HydrophobicContact CD1-CD2 4.11Å; L73-L77 HydrophobicContact CB-CD2 4.11Å; L73-L77 HydrophobicContact CD1-CD2 3.74Å; L73-L77 HydrophobicContact CG-CD2 4.45Å; L73-L93 HydrophobicContact CD1-CD1 4.1Å; L73-L93 HydrophobicContact CD2-CD1 4.41Å; L73-L93 HydrophobicContact CD2-CD2 4.14Å; L73-L93 HydrophobicContact CG-CD1 4.11Å; L73-L93 HydrophobicContact CG-CD2 3.92Å; L73-L96 HydrophobicContact CD1-CD2 4.17Å; L73-P97 HydrophobicContact CB-CG 4.22Å
74	P	95.6	Very high	95.1	Very high	23 Å²	23	43.8 Å²	43.8	15%	0.149	23%	0.225	C	C	.	.			trans	-67.8	151.4	177.4	29.3	-34.7	0	0	0	111.4	F50 E76 L77	F50-P74 HydrophobicContact CD1-CG 3.65Å; F50-P74 HydrophobicContact CE1-CG 4.39Å; P74-E76 VanDerWaalsContact CB-OE2 3.29Å; P74-E76 WeakPolarHBondContact CB-OE2 2.88Å; P74-E76 PolarHBondContact O-N 3.19Å; P74-L77 WeakPolarHBondContact O-CB 3.46Å; P74-L77 PolarHBondContact O-N 3.03Å; P74-L77 VanDerWaalsContact O-N 3.12Å
75	A	95.7	Very high	95.2	Very high	53 Å²	53	45.5 Å²	45.5	44%	0.438	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-64.8	-29	177.8	0	0	0	0	0	111.7	L77 G78 T99	A75-L77 PolarHBondContact O-N 3.47Å; A75-G78 PolarHBondContact O-N 3.38Å; A75-T99 WeakPolarHBondContact CA-OG1 3.16Å; A75-T99 HydrophobicContact CB-CG2 4.26Å; A75-T99 VanDerWaalsContact O-CB 3.25Å; A75-T99 WeakPolarHBondContact O-CB 3.16Å; A75-T99 PolarHBondContact O-OG1 2.98Å
76	E	96.6	Very high	95.3	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.1	-17.4	175.3	-63.6	80.7	175	0	0	112.6	C55 P74 G78 N79	C55-E76 HydrophobicContact CB-CB 3.85Å; C55-E76 WeakPolarHBondContact CB-O 3.05Å; C55-E76 VanDerWaalsContact SG-C 3.59Å; P74-E76 VanDerWaalsContact CB-OE2 3.29Å; P74-E76 WeakPolarHBondContact CB-OE2 2.88Å; P74-E76 PolarHBondContact O-N 3.19Å; E76-G78 PolarHBondContact O-N 2.97Å; E76-G78 VanDerWaalsContact O-N 3.11Å; E76-N79 WeakPolarHBondContact O-CB 3.14Å; E76-N79 VanDerWaalsContact O-CG 3.31Å; E76-N79 PolarHBondContact O-N 3.04Å; E76-N79 PolarHBondContact O-ND2 3.44Å
77	L	96.1	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-51.8	-35.1	174.3	-175.9	70	0	0	0	112.1	F50 L63 L73 P74 A75 N79 L80 L86 I100 L103	F50-L77 HydrophobicContact CE1-CD1 4.25Å; L63-L77 HydrophobicContact CD2-CD1 3.76Å; L73-L77 HydrophobicContact CB-CD2 4.11Å; L73-L77 HydrophobicContact CD1-CD2 3.74Å; L73-L77 HydrophobicContact CG-CD2 4.45Å; P74-L77 WeakPolarHBondContact O-CB 3.46Å; P74-L77 PolarHBondContact O-N 3.03Å; P74-L77 VanDerWaalsContact O-N 3.12Å; A75-L77 PolarHBondContact O-N 3.47Å; L77-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact O-N 3.11Å; L77-L80 HydrophobicContact CD1-CD1 3.95Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.01Å; L77-L80 VanDerWaalsContact O-N 3.09Å; L77-L86 HydrophobicContact CD2-CD2 3.99Å; L77-I100 HydrophobicContact CD2-CD1 4.07Å; L77-L103 HydrophobicContact CG-CD1 4.46Å
78	G	94.5	Very high	95.5	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-62.1	-13.7	176.8	0	0	0	0	0	115	A75 E76 L80 T99	A75-G78 PolarHBondContact O-N 3.38Å; E76-G78 PolarHBondContact O-N 2.97Å; E76-G78 VanDerWaalsContact O-N 3.11Å; G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 2.92Å; G78-T99 WeakPolarHBondContact CA-O 3.23Å
79	N	94.5	Very high	95.6	Very high	85 Å²	85	39.4 Å²	39.4	46%	0.455	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-73.1	-18.1	174.7	-63.7	-17	0	0	0	112.6	C55 T58 E76 L77 V81	C55-N79 HydrophobicContact CB-CB 4.47Å; C55-N79 WeakPolarHBondContact O-CB 3.19Å; T58-N79 WeakPolarHBondContact CG2-O 3.31Å; E76-N79 WeakPolarHBondContact O-CB 3.14Å; E76-N79 VanDerWaalsContact O-CG 3.31Å; E76-N79 PolarHBondContact O-N 3.04Å; E76-N79 PolarHBondContact O-ND2 3.44Å; L77-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact O-N 3.11Å; N79-V81 PolarHBondContact O-N 2.95Å
80	L	94.4	Very high	95.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.206	C	C	.	.			trans	-76.7	54.5	176.4	-59.4	-176.2	0	0	0	111	C55 L57 L63 L77 G78 N82 L83 L103	C55-L80 HydrophobicContact CB-CD2 4.48Å; C55-L80 HydrophobicContact CB-CG 4.4Å; L57-L80 VanDerWaalsContact O-CD2 3.27Å; L57-L80 WeakPolarHBondContact O-CD2 3.39Å; L63-L80 HydrophobicContact CD2-CD1 4.09Å; L77-L80 HydrophobicContact CD1-CD1 3.95Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.01Å; L77-L80 VanDerWaalsContact O-N 3.09Å; G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 2.92Å; L80-N82 PolarHBondContact O-N 3.3Å; L80-L83 HydrophobicContact CB-CB 4.06Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.16Å; L80-L103 HydrophobicContact CB-CD2 4.29Å; L80-L103 VanDerWaalsContact O-CD2 3.23Å; L80-L103 WeakPolarHBondContact O-CD2 3.32Å
81	V	91.4	Very high	95.6	Very high	68 Å²	68	39.8 Å²	39.8	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.9	-170.6	-64	0	0	0	0	114.5	N79	N79-V81 PolarHBondContact O-N 2.95Å
82	N	91	Very high	95.6	Very high	74 Å²	74	40 Å²	40	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.9	175	-59.9	-56.3	0	0	0	113.6	T58 I60 T61 L80 V84	T58-N82 WeakPolarHBondContact O-CB 3.33Å; T58-N82 PolarHBondContact O-ND2 3.25Å; I60-N82 CarbonylContact O-C 3.52Å; T61-N82 WeakPolarHBondContact CA-O 3.34Å; L80-N82 PolarHBondContact O-N 3.3Å; N82-V84 PolarHBondContact O-N 3.41Å
83	L	95.3	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.			trans	-69.5	117.8	-177.5	-164.5	72.3	0	0	0	110.3	I60 L63 L80 L86 L103 E105 L106	I60-L83 HydrophobicContact CG2-CD1 3.82Å; L63-L83 HydrophobicContact CB-CD1 3.7Å; L63-L83 HydrophobicContact CB-CD2 4.29Å; L80-L83 HydrophobicContact CB-CB 4.06Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.16Å; L83-L86 HydrophobicContact CD2-CB 3.92Å; L83-L86 HydrophobicContact CD2-CD1 4.46Å; L83-L86 HydrophobicContact CD2-CD2 4.38Å; L83-L86 HydrophobicContact CD2-CG 4.49Å; L83-L103 HydrophobicContact CB-CD2 4.45Å; L83-L103 HydrophobicContact CD2-CD1 3.94Å; L83-E105 CarbonylContact O-C 3.57Å; L83-L106 HydrophobicContact CB-CD1 4.4Å; L83-L106 HydrophobicContact CD2-CD1 4.08Å; L83-L106 HydrophobicContact CG-CD1 4.02Å; L83-L106 VanDerWaalsContact O-CA 3.31Å; L83-L106 WeakPolarHBondContact O-CA 3.29Å; L83-L106 WeakPolarHBondContact O-CD1 3.22Å; L83-L106 PolarHBondContact O-N 3.48Å
84	V	95.8	Very high	95.6	Very high	37 Å²	37	35.9 Å²	35.9	22%	0.224	19%	0.192	C	C	.	.			trans	-97.8	-35.4	179.2	-179.3	0	0	0	0	110.9	T61 N82 R107 A108	T61-V84 WeakPolarHBondContact O-CA 3.5Å; T61-V84 PolarHBondContact O-N 3.24Å; N82-V84 PolarHBondContact O-N 3.41Å; V84-R107 HydrophobicContact CG1-CB 3.97Å; V84-R107 HydrophobicContact CG1-CG 3.9Å; V84-R107 PolarHBondContact O-N 3Å; V84-A108 PolarHBondContact O-N 2.86Å; V84-A108 VanDerWaalsContact O-N 3.09Å
85	N	95.8	Very high	95.7	Very high	40 Å²	40	38 Å²	38	21%	0.214	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.3	-176	-55.1	-53.9	0	0	0	111.1	L15 T61 T62 L63 A108	L15-N85 HydrophobicContact CD1-CB 3.95Å; L15-N85 HydrophobicContact CD2-CB 4.41Å; T61-N85 PolarHBondContact O-N 3.49Å; T62-N85 CarbonylContact C-O 3.5Å; T62-N85 WeakPolarHBondContact CA-O 3.23Å; T62-N85 HydrophobicContact CG2-CB 4.03Å; T62-N85 PolarHBondContact OG1-ND2 3.19Å; L63-N85 PolarHBondContact N-O 2.78Å; N85-A108 HydrophobicContact CB-CB 4.46Å; N85-A108 WeakPolarHBondContact OD1-CB 3.19Å
86	L	96.9	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.9	172.8	176.8	54.5	0	0	0	110	L63 I65 L77 L83 I100 L106 A108 L109 I110	L63-L86 HydrophobicContact CB-CD1 4.05Å; L63-L86 HydrophobicContact CD2-CD1 3.92Å; L63-L86 HydrophobicContact CG-CD1 3.96Å; L63-L86 WeakPolarHBondContact O-CA 3.26Å; I65-L86 HydrophobicContact CD1-CD1 4.26Å; I65-L86 HydrophobicContact CG1-CD1 4.44Å; L77-L86 HydrophobicContact CD2-CD2 3.99Å; L83-L86 HydrophobicContact CD2-CB 3.92Å; L83-L86 HydrophobicContact CD2-CD1 4.46Å; L83-L86 HydrophobicContact CD2-CD2 4.38Å; L83-L86 HydrophobicContact CD2-CG 4.49Å; L86-I100 HydrophobicContact CD2-CD1 4.07Å; L86-L106 HydrophobicContact CB-CD1 3.96Å; L86-A108 PolarHBondContact N-O 3.05Å; L86-L109 HydrophobicContact CB-CD1 4.08Å; L86-L109 HydrophobicContact CD2-CD1 3.76Å; L86-L109 HydrophobicContact CG-CD1 3.95Å; L86-L109 WeakPolarHBondContact O-CA 3.38Å; L86-I110 PolarHBondContact O-N 3.12Å
87	D	96.7	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107	169.8	-173.3	-8.8	0	0	0	110.2	L15 L63 V64 I65 K66 S89 I110	L15-D87 HydrophobicContact CD1-CB 3.85Å; L15-D87 HydrophobicContact CG-CB 4.47Å; L63-D87 PolarHBondContact O-N 2.85Å; V64-D87 HydrophobicContact CG1-CB 4.37Å; V64-D87 HydrophobicContact CG2-CB 4.41Å; I65-D87 CarbonylContact C-O 3.46Å; I65-D87 WeakPolarHBondContact CG1-O 3.44Å; I65-D87 PolarHBondContact N-O 3.05Å; K66-D87 PolarHBondContact N-O 2.97Å; D87-S89 VanDerWaalsContact OD1-CB 3.31Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 3.16Å; D87-S89 PolarHBondContact OD1-OG 3.23Å; D87-I110 HydrophobicContact CB-CB 4.22Å; D87-I110 HydrophobicContact CB-CD1 4.39Å
88	A	96.6	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.			trans	-118.9	28.1	174.7	0	0	0	0	0	111.8	I65 N91 L93 I110 L111 N114	I65-A88 HydrophobicContact CD1-CB 3.85Å; I65-A88 HydrophobicContact CG1-CB 3.64Å; A88-N91 PolarHBondContact O-ND2 2.86Å; A88-L93 HydrophobicContact CB-CD1 3.96Å; A88-I110 CarbonylContact C-O 3.57Å; A88-I110 PolarHBondContact N-O 3.05Å; A88-L111 HydrophobicContact CB-CD2 3.98Å; A88-N114 PolarHBondContact O-ND2 3.2Å
89	S	96.2	Very high	95.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.203	C	C	.	.			trans	-62.7	158.2	176.3	56	0	0	0	0	113.4	K66 N67 D87 N91 I110 N112	K66-S89 CarbonylContact C-O 3.51Å; K66-S89 WeakPolarHBondContact CA-O 3.46Å; K66-S89 WeakPolarHBondContact CB-OG 3.33Å; N67-S89 PolarHBondContact N-O 2.82Å; D87-S89 VanDerWaalsContact OD1-CB 3.31Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 3.16Å; D87-S89 PolarHBondContact OD1-OG 3.23Å; S89-N91 PolarHBondContact O-ND2 3.1Å; S89-I110 PolarHBondContact N-O 3.26Å; S89-N112 CarbonylContact C-O 3.6Å; S89-N112 WeakPolarHBondContact CA-O 3.44Å; S89-N112 WeakPolarHBondContact CB-O 3.35Å
90	C	96.5	Very high	95.9	Very high	42 Å²	42	32.7 Å²	32.7	28%	0.284	18%	0.181	S	C	.	.	S	Bend	trans	55.7	56.3	177.6	-51.3	0	0	0	0	111.7	N67 N68 N112 D113	N67-C90 VanDerWaalsContact CA-O 3.29Å; N67-C90 WeakPolarHBondContact CA-O 3.43Å; N67-C90 PolarHBondContact N-O 3.13Å; N67-C90 WeakPolarHBondContact OD1-CB 3.47Å; N67-C90 PolarHBondContact OD1-SG 3.32Å; N67-C90 VanDerWaalsContact OD1-SG 3.4Å; N68-C90 PolarHBondContact N-O 3.09Å; C90-N112 PolarHBondContact N-O 3.1Å; C90-D113 VanDerWaalsContact CA-O 3.22Å; C90-D113 WeakPolarHBondContact CA-O 3.42Å; C90-D113 PolarHBondContact N-O 3.01Å
91	N	97.2	Very high	96	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.048	18%	0.181	C	C	.	.	S	Bend	trans	-129.8	-163.2	176.3	-86.8	-75.6	0	0	0	109.4	I65 N68 L70 A88 S89 L93 D113 N114	I65-N91 PolarHBondContact O-ND2 3.04Å; N68-N91 WeakPolarHBondContact CA-OD1 3.47Å; N68-N91 WeakPolarHBondContact CB-OD1 3.43Å; N68-N91 PolarHBondContact O-OD1 2.92Å; L70-N91 HydrophobicContact CB-CB 4.38Å; L70-N91 VanDerWaalsContact CB-OD1 3.28Å; L70-N91 WeakPolarHBondContact CB-OD1 3.23Å; L70-N91 WeakPolarHBondContact CG-OD1 3.44Å; L70-N91 PolarHBondContact N-OD1 3.04Å; A88-N91 PolarHBondContact O-ND2 2.86Å; S89-N91 PolarHBondContact O-ND2 3.1Å; N91-L93 HydrophobicContact CB-CG 4.1Å; N91-D113 PolarHBondContact N-O 3.05Å; N91-N114 VanDerWaalsContact CA-OD1 3.31Å; N91-N114 WeakPolarHBondContact CA-OD1 3.24Å; N91-N114 WeakPolarHBondContact CB-OD1 3.43Å; N91-N114 PolarHBondContact N-OD1 3.15Å; N91-N114 PolarHBondContact O-OD1 3.1Å
92	R	97.4	Very high	96.1	Very high	119 Å²	119	30.4 Å²	30.4	45%	0.449	17%	0.167	S	C	.	.			trans	-121.4	29	177	-55.4	179.1	-169.2	-175.4	-0.7	111.3	N69 L70 E71 H94 N114	N69-R92 PolarHBondContact OD1-NE 3.39Å; N69-R92 PolarHBondContact OD1-NH2 2.8Å; L70-R92 CarbonylContact O-C 3.19Å; L70-R92 VanDerWaalsContact O-CA 3.31Å; L70-R92 WeakPolarHBondContact O-CA 3.32Å; L70-R92 PolarHBondContact O-N 2.65Å; E71-R92 WeakPolarHBondContact CA-O 3.49Å; E71-R92 HydrophobicContact CG-CB 4.09Å; R92-H94 PolarHBondContact O-CD2 3.44Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-NE2 3.49Å; R92-N114 PolarHBondContact N-OD1 2.86Å
93	L	97.9	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.			trans	-65.3	122.9	-175.9	-59.7	176.2	0	0	0	109.8	L70 L73 A88 N91 L111 N114 K115 I116	L70-L93 HydrophobicContact CB-CD2 4.05Å; L70-L93 PolarHBondContact O-N 3.08Å; L73-L93 HydrophobicContact CD1-CD1 4.1Å; L73-L93 HydrophobicContact CD2-CD1 4.41Å; L73-L93 HydrophobicContact CD2-CD2 4.14Å; L73-L93 HydrophobicContact CG-CD1 4.11Å; L73-L93 HydrophobicContact CG-CD2 3.92Å; A88-L93 HydrophobicContact CB-CD1 3.96Å; N91-L93 HydrophobicContact CB-CG 4.1Å; L93-L111 HydrophobicContact CD1-CD2 4.22Å; L93-N114 HydrophobicContact CB-CB 4.29Å; L93-N114 VanDerWaalsContact CB-OD1 3.29Å; L93-N114 WeakPolarHBondContact CB-OD1 3.34Å; L93-N114 WeakPolarHBondContact CG-OD1 3.24Å; L93-N114 PolarHBondContact N-OD1 3.42Å; L93-K115 CarbonylContact O-C 3.06Å; L93-K115 VanDerWaalsContact O-CA 3.26Å; L93-K115 WeakPolarHBondContact O-CA 3.35Å; L93-K115 PolarHBondContact O-N 3.47Å; L93-I116 HydrophobicContact CB-CG1 4.34Å; L93-I116 WeakPolarHBondContact O-CG1 3.43Å; L93-I116 PolarHBondContact O-N 3.37Å
94	H	96.5	Very high	96.2	Very high	104 Å²	104	27.8 Å²	27.8	48%	0.481	15%	0.154	S	C	.	.	S	Bend	trans	-93.7	-23.5	176.2	-64.9	-76.3	0	0	0	113.1	R92 K115	R92-H94 PolarHBondContact O-CD2 3.44Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-NE2 3.49Å; H94-K115 WeakPolarHBondContact CA-O 3.23Å; H94-K115 WeakPolarHBondContact CE1-CB 3.31Å; H94-K115 WeakPolarHBondContact ND1-CB 3.06Å
95	S	96.3	Very high	96	Very high	69 Å²	69	28.9 Å²	28.9	48%	0.483	16%	0.156	S	C	.	.			trans	-154.6	167.4	177.4	61.4	0	0	0	0	110.2
96	L	97.5	Very high	96	Very high	9 Å²	9	27 Å²	27	5%	0.047	15%	0.146	C	C	.	.			trans	-104.5	147.3	169.2	-59	173.4	0	0	0	109.3	L73 I100 L109 L111 I116 L119 P120 I123	L73-L96 HydrophobicContact CD1-CD2 4.17Å; L96-I100 HydrophobicContact CB-CG2 4.37Å; L96-I100 HydrophobicContact CD1-CG1 4.5Å; L96-L109 HydrophobicContact CD1-CD2 4.45Å; L96-L111 HydrophobicContact CD1-CD1 3.61Å; L96-L111 HydrophobicContact CD2-CD1 3.89Å; L96-L111 HydrophobicContact CD2-CD2 4.05Å; L96-L111 HydrophobicContact CG-CD1 4.19Å; L96-I116 HydrophobicContact CD2-CD1 4.44Å; L96-L119 HydrophobicContact CD1-CD2 4.1Å; L96-P120 HydrophobicContact CB-CG 3.99Å; L96-I123 HydrophobicContact CD1-CD1 4.33Å
97	P	96.9	Very high	95.9	Very high	21 Å²	21	32.1 Å²	32.1	14%	0.136	17%	0.165	C	C	.	.			trans	-64.4	147	171.3	29.2	-35	0	0	0	110.3	L73 T99 I100	L73-P97 HydrophobicContact CB-CG 4.22Å; P97-T99 PolarHBondContact O-N 2.99Å; P97-I100 VanDerWaalsContact O-CB 3.26Å; P97-I100 WeakPolarHBondContact O-CB 3.06Å; P97-I100 WeakPolarHBondContact O-CG2 3.38Å; P97-I100 PolarHBondContact O-N 3.36Å
98	S	95.4	Very high	95.9	Very high	60 Å²	60	32.2 Å²	32.2	42%	0.42	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-58.6	-32	177.1	49.8	0	0	0	0	112.8	I100 G101 E122	S98-I100 PolarHBondContact O-N 3.35Å; S98-G101 PolarHBondContact O-N 2.96Å; S98-G101 VanDerWaalsContact O-N 3.15Å; S98-E122 VanDerWaalsContact CB-CD 3.45Å; S98-E122 VanDerWaalsContact CB-OE1 3.28Å; S98-E122 WeakPolarHBondContact CB-OE1 3.26Å; S98-E122 WeakPolarHBondContact O-CB 3.18Å; S98-E122 WeakPolarHBondContact O-CG 3.41Å
99	T	95.8	Very high	95.9	Very high	32 Å²	32	32.2 Å²	32.2	20%	0.196	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.2	-7	175	56.7	0	0	0	0	113.9	A75 G78 P97 G101 D102	A75-T99 WeakPolarHBondContact CA-OG1 3.16Å; A75-T99 HydrophobicContact CB-CG2 4.26Å; A75-T99 VanDerWaalsContact O-CB 3.25Å; A75-T99 WeakPolarHBondContact O-CB 3.16Å; A75-T99 PolarHBondContact O-OG1 2.98Å; G78-T99 WeakPolarHBondContact CA-O 3.23Å; P97-T99 PolarHBondContact O-N 2.99Å; T99-G101 PolarHBondContact O-N 3.21Å; T99-D102 WeakPolarHBondContact O-CB 3.27Å; T99-D102 PolarHBondContact O-N 3.35Å
100	I	97	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.7	168.5	-163.4	71.2	0	0	0	111.2	L77 L86 L96 P97 S98 D102 L103 P120 I123 L126	L77-I100 HydrophobicContact CD2-CD1 4.07Å; L86-I100 HydrophobicContact CD2-CD1 4.07Å; L96-I100 HydrophobicContact CB-CG2 4.37Å; L96-I100 HydrophobicContact CD1-CG1 4.5Å; P97-I100 VanDerWaalsContact O-CB 3.26Å; P97-I100 WeakPolarHBondContact O-CB 3.06Å; P97-I100 WeakPolarHBondContact O-CG2 3.38Å; P97-I100 PolarHBondContact O-N 3.36Å; S98-I100 PolarHBondContact O-N 3.35Å; I100-D102 PolarHBondContact O-N 3.08Å; I100-L103 HydrophobicContact CD1-CD1 3.84Å; I100-L103 WeakPolarHBondContact O-CB 3.4Å; I100-L103 PolarHBondContact O-N 3.31Å; I100-P120 HydrophobicContact CG2-CG 3.69Å; I100-I123 HydrophobicContact CG2-CD1 4.3Å; I100-L126 HydrophobicContact CG1-CD1 4.42Å; I100-L126 WeakPolarHBondContact O-CD2 3.36Å
101	G	95.1	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-70.9	-6.6	178.6	0	0	0	0	0	114.9	S98 T99 L103 E122 R125	S98-G101 PolarHBondContact O-N 2.96Å; S98-G101 VanDerWaalsContact O-N 3.15Å; T99-G101 PolarHBondContact O-N 3.21Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-E122 WeakPolarHBondContact CA-O 3.48Å; G101-R125 WeakPolarHBondContact O-CB 3.35Å
102	D	94.4	Very high	95.9	Very high	20 Å²	20	30.3 Å²	30.3	11%	0.107	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-81.9	-13.6	173.6	-62.6	-39.3	0	0	0	112.6	T99 I100 T104 R125 K537	T99-D102 WeakPolarHBondContact O-CB 3.27Å; T99-D102 PolarHBondContact O-N 3.35Å; I100-D102 PolarHBondContact O-N 3.08Å; D102-T104 PolarHBondContact O-N 2.9Å; D102-R125 IonicContact OD1-CZ 3.6Å; D102-R125 IonicContact OD1-NH1 3.18Å; D102-R125 PolarHBondContact OD1-NH1 2.59Å; D102-R125 IonicContact OD1-NH2 2.76Å; D102-K537 WeakPolarHBondContact OD1-CD 3.26Å; D102-K537 IonicContact OD1-NZ 2.66Å; D102-K537 PolarHBondContact OD1-NZ 3.44Å; D102-K537 IonicContact OD2-NZ 2.8Å; D102-K537 PolarHBondContact OD2-NZ 3.21Å
103	L	95.4	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.			trans	-80.3	57.8	178.5	-54.4	-175.6	0	0	0	111.4	L77 L80 L83 I100 G101 E105 L106 L126	L77-L103 HydrophobicContact CG-CD1 4.46Å; L80-L103 HydrophobicContact CB-CD2 4.29Å; L80-L103 VanDerWaalsContact O-CD2 3.23Å; L80-L103 WeakPolarHBondContact O-CD2 3.32Å; L83-L103 HydrophobicContact CB-CD2 4.45Å; L83-L103 HydrophobicContact CD2-CD1 3.94Å; I100-L103 HydrophobicContact CD1-CD1 3.84Å; I100-L103 WeakPolarHBondContact O-CB 3.4Å; I100-L103 PolarHBondContact O-N 3.31Å; G101-L103 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 3.11Å; L103-L106 HydrophobicContact CB-CB 4.12Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 3.4Å; L103-L126 HydrophobicContact CB-CD2 4.2Å; L103-L126 WeakPolarHBondContact O-CD2 3.29Å
104	T	92.4	Very high	96	Very high	20 Å²	20	28.1 Å²	28.1	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.2	-169.4	57.3	0	0	0	0	114.7	D102 N128 L539	D102-T104 PolarHBondContact O-N 2.9Å; T104-N128 PolarHBondContact O-ND2 2.95Å; T104-L539 HydrophobicContact CG2-CD1 3.97Å; T104-L539 HydrophobicContact CG2-CD2 4.19Å
105	E	91.7	Very high	96	Very high	60 Å²	60	27.3 Å²	27.3	28%	0.28	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.7	173.3	-63.5	-53.6	129.5	0	0	114.2	L83 L103 R107 Y503	L83-E105 CarbonylContact O-C 3.57Å; L103-E105 PolarHBondContact O-N 3.11Å; E105-R107 PolarHBondContact O-N 3.41Å; E105-Y503 PolarHBondContact OE1-OH 3.02Å
106	L	95.7	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.			trans	-66.2	121	-175.1	-161	74.7	0	0	0	111.1	L83 L86 L103 L109 L126 N128 L129	L83-L106 HydrophobicContact CB-CD1 4.4Å; L83-L106 HydrophobicContact CD2-CD1 4.08Å; L83-L106 HydrophobicContact CG-CD1 4.02Å; L83-L106 VanDerWaalsContact O-CA 3.31Å; L83-L106 WeakPolarHBondContact O-CA 3.29Å; L83-L106 WeakPolarHBondContact O-CD1 3.22Å; L83-L106 PolarHBondContact O-N 3.48Å; L86-L106 HydrophobicContact CB-CD1 3.96Å; L103-L106 HydrophobicContact CB-CB 4.12Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 3.4Å; L106-L109 HydrophobicContact CD2-CB 3.9Å; L106-L109 HydrophobicContact CD2-CD1 4.23Å; L106-L109 HydrophobicContact CD2-CD2 4.3Å; L106-L109 HydrophobicContact CD2-CG 4.37Å; L106-L126 HydrophobicContact CB-CD2 4.33Å; L106-L126 HydrophobicContact CD2-CD1 4.01Å; L106-N128 CarbonylContact O-C 3.56Å; L106-N128 VanDerWaalsContact O-C 3.28Å; L106-L129 HydrophobicContact CD2-CD1 4.2Å; L106-L129 HydrophobicContact CG-CD1 4.23Å; L106-L129 WeakPolarHBondContact O-CA 3.35Å; L106-L129 PolarHBondContact O-N 2.85Å
107	R	95.1	Very high	96.1	Very high	107 Å²	107	27.2 Å²	27.2	40%	0.404	14%	0.142	S	C	.	.			trans	-105.9	-30.3	178.6	-63.6	-179.6	-173.3	-157.5	-1.9	112.6	V84 E105 N128 R130 H131	V84-R107 HydrophobicContact CG1-CB 3.97Å; V84-R107 HydrophobicContact CG1-CG 3.9Å; V84-R107 PolarHBondContact O-N 3Å; E105-R107 PolarHBondContact O-N 3.41Å; R107-N128 WeakPolarHBondContact CA-O 3.11Å; R107-N128 HydrophobicContact CG-CB 4.2Å; R107-R130 PolarHBondContact O-N 3.31Å; R107-H131 PolarHBondContact O-N 3.16Å
108	A	96.2	Very high	96.1	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.025	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.6	178.1	0	0	0	0	0	111.6	V84 N85 L86 H131	V84-A108 PolarHBondContact O-N 2.86Å; V84-A108 VanDerWaalsContact O-N 3.09Å; N85-A108 HydrophobicContact CB-CB 4.46Å; N85-A108 WeakPolarHBondContact OD1-CB 3.19Å; L86-A108 PolarHBondContact N-O 3.05Å; A108-H131 CarbonylContact C-O 3.55Å; A108-H131 VanDerWaalsContact CA-O 3.3Å; A108-H131 WeakPolarHBondContact CA-O 3.1Å; A108-H131 HydrophobicContact CB-CB 3.99Å
109	L	97.3	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.8	174.2	179.8	55.5	0	0	0	108.7	L86 L96 L106 L111 I123 L126 L129 H131 F132 N133	L86-L109 HydrophobicContact CB-CD1 4.08Å; L86-L109 HydrophobicContact CD2-CD1 3.76Å; L86-L109 HydrophobicContact CG-CD1 3.95Å; L86-L109 WeakPolarHBondContact O-CA 3.38Å; L96-L109 HydrophobicContact CD1-CD2 4.45Å; L106-L109 HydrophobicContact CD2-CB 3.9Å; L106-L109 HydrophobicContact CD2-CD1 4.23Å; L106-L109 HydrophobicContact CD2-CD2 4.3Å; L106-L109 HydrophobicContact CD2-CG 4.37Å; L109-L111 HydrophobicContact CD1-CD1 4.1Å; L109-L111 HydrophobicContact CD1-CD2 3.98Å; L109-L111 HydrophobicContact CD1-CG 3.92Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 3.9Å; L109-L111 HydrophobicContact CG-CG 3.98Å; L109-I123 HydrophobicContact CD2-CD1 3.86Å; L109-L126 HydrophobicContact CD2-CD1 4.36Å; L109-L129 HydrophobicContact CB-CD1 3.67Å; L109-L129 HydrophobicContact CB-CD2 4.4Å; L109-H131 PolarHBondContact N-O 3.17Å; L109-F132 HydrophobicContact CB-CD2 4.01Å; L109-F132 HydrophobicContact CB-CE2 4.39Å; L109-F132 HydrophobicContact CD2-CD2 4.07Å; L109-F132 HydrophobicContact CD2-CE2 3.64Å; L109-F132 HydrophobicContact CD2-CZ 4.23Å; L109-F132 HydrophobicContact CG-CD2 4.02Å; L109-F132 HydrophobicContact CG-CE2 3.9Å; L109-F132 WeakPolarHBondContact O-CA 3.21Å; L109-F132 WeakPolarHBondContact O-CD2 3.28Å; L109-N133 PolarHBondContact O-N 2.82Å
110	I	97.1	Very high	96.2	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.036	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.9	-177.1	-50.7	179	0	0	0	108.9	L15 L86 D87 A88 S89 N112 N133	L15-I110 HydrophobicContact CG-CD1 3.86Å; L86-I110 PolarHBondContact O-N 3.12Å; D87-I110 HydrophobicContact CB-CB 4.22Å; D87-I110 HydrophobicContact CB-CD1 4.39Å; A88-I110 CarbonylContact C-O 3.57Å; A88-I110 PolarHBondContact N-O 3.05Å; S89-I110 PolarHBondContact N-O 3.26Å; I110-N112 WeakPolarHBondContact CG2-ND2 3.34Å; I110-N133 HydrophobicContact CB-CB 4.48Å; I110-N133 HydrophobicContact CG2-CB 4.04Å
111	L	97.4	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.			trans	-129.4	17.7	-174.7	-60.7	174.7	0	0	0	112.3	A88 L93 L96 L109 N114 I116 F132 N133 L134 N137	A88-L111 HydrophobicContact CB-CD2 3.98Å; L93-L111 HydrophobicContact CD1-CD2 4.22Å; L96-L111 HydrophobicContact CD1-CD1 3.61Å; L96-L111 HydrophobicContact CD2-CD1 3.89Å; L96-L111 HydrophobicContact CD2-CD2 4.05Å; L96-L111 HydrophobicContact CG-CD1 4.19Å; L109-L111 HydrophobicContact CD1-CD1 4.1Å; L109-L111 HydrophobicContact CD1-CD2 3.98Å; L109-L111 HydrophobicContact CD1-CG 3.92Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 3.9Å; L109-L111 HydrophobicContact CG-CG 3.98Å; L111-N114 PolarHBondContact O-ND2 3.35Å; L111-I116 HydrophobicContact CB-CD1 3.95Å; L111-I116 HydrophobicContact CD1-CD1 3.72Å; L111-I116 HydrophobicContact CD2-CD1 4.5Å; L111-I116 HydrophobicContact CG-CD1 4.28Å; L111-F132 HydrophobicContact CD1-CE2 3.97Å; L111-N133 CarbonylContact C-O 3.55Å; L111-N133 WeakPolarHBondContact CA-O 3.44Å; L111-N133 PolarHBondContact N-O 3.01Å; L111-L134 HydrophobicContact CB-CD2 4.14Å; L111-L134 HydrophobicContact CD1-CD2 3.96Å; L111-N137 PolarHBondContact O-ND2 3.46Å
112	N	96.5	Very high	96.2	Very high	5 Å²	5	30 Å²	30	3%	0.027	15%	0.151	C	C	.	.			trans	-53	148.9	178.9	-59.6	-52.5	0	0	0	111.5	S89 C90 I110 N114 N133 N135	S89-N112 CarbonylContact C-O 3.6Å; S89-N112 WeakPolarHBondContact CA-O 3.44Å; S89-N112 WeakPolarHBondContact CB-O 3.35Å; C90-N112 PolarHBondContact N-O 3.1Å; I110-N112 WeakPolarHBondContact CG2-ND2 3.34Å; N112-N114 PolarHBondContact O-ND2 3.03Å; N112-N133 PolarHBondContact N-O 3.45Å; N112-N133 WeakPolarHBondContact OD1-CB 3.49Å; N112-N135 CarbonylContact C-O 3.54Å; N112-N135 WeakPolarHBondContact CA-O 3.39Å; N112-N135 VanDerWaalsContact OD1-CB 3.29Å; N112-N135 WeakPolarHBondContact OD1-CB 3.21Å; N112-N135 PolarHBondContact OD1-N 2.82Å; N112-N135 PolarHBondContact OD1-ND2 3.09Å; N112-N135 VanDerWaalsContact OD1-ND2 3.14Å
113	D	97.4	Very high	96.3	Very high	73 Å²	73	29 Å²	29	39%	0.39	15%	0.146	S	C	.	.	S	Bend	trans	52.7	65.2	176	-162.2	8	0	0	0	112.7	C90 N91 N135 D136	C90-D113 VanDerWaalsContact CA-O 3.22Å; C90-D113 WeakPolarHBondContact CA-O 3.42Å; C90-D113 PolarHBondContact N-O 3.01Å; N91-D113 PolarHBondContact N-O 3.05Å; D113-N135 PolarHBondContact N-O 2.84Å; D113-D136 HydrophobicContact CB-CB 4.37Å
114	N	98.1	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-129.8	-156.2	174.8	-89.6	-74.9	0	0	0	108.9	A88 N91 R92 L93 L111 N112 I116 N137	A88-N114 PolarHBondContact O-ND2 3.2Å; N91-N114 VanDerWaalsContact CA-OD1 3.31Å; N91-N114 WeakPolarHBondContact CA-OD1 3.24Å; N91-N114 WeakPolarHBondContact CB-OD1 3.43Å; N91-N114 PolarHBondContact N-OD1 3.15Å; N91-N114 PolarHBondContact O-OD1 3.1Å; R92-N114 PolarHBondContact N-OD1 2.86Å; L93-N114 HydrophobicContact CB-CB 4.29Å; L93-N114 VanDerWaalsContact CB-OD1 3.29Å; L93-N114 WeakPolarHBondContact CB-OD1 3.34Å; L93-N114 WeakPolarHBondContact CG-OD1 3.24Å; L93-N114 PolarHBondContact N-OD1 3.42Å; L111-N114 PolarHBondContact O-ND2 3.35Å; N112-N114 PolarHBondContact O-ND2 3.03Å; N114-I116 HydrophobicContact CB-CD1 4.39Å; N114-I116 HydrophobicContact CB-CG1 4.16Å; N114-N137 VanDerWaalsContact CA-OD1 3.28Å; N114-N137 WeakPolarHBondContact CA-OD1 3.27Å; N114-N137 WeakPolarHBondContact CB-OD1 3.11Å; N114-N137 PolarHBondContact N-OD1 2.93Å
115	K	98.2	Very high	96.3	Very high	87 Å²	87	29.3 Å²	29.3	38%	0.378	15%	0.145	S	C	.	.			trans	-129.1	27.1	178.4	-56.5	-65.4	159.3	-122.3	0	111.6	L93 H94 V117 N137	L93-K115 CarbonylContact O-C 3.06Å; L93-K115 VanDerWaalsContact O-CA 3.26Å; L93-K115 WeakPolarHBondContact O-CA 3.35Å; L93-K115 PolarHBondContact O-N 3.47Å; H94-K115 WeakPolarHBondContact CA-O 3.23Å; H94-K115 WeakPolarHBondContact CE1-CB 3.31Å; H94-K115 WeakPolarHBondContact ND1-CB 3.06Å; K115-V117 PolarHBondContact O-N 2.89Å; K115-N137 PolarHBondContact N-OD1 2.83Å
116	I	98.1	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.			trans	-69.5	124.4	-177.2	-60.2	175.6	0	0	0	109.1	L93 L96 L111 N114 D118 L119 L134 N137 P138 L139	L93-I116 HydrophobicContact CB-CG1 4.34Å; L93-I116 WeakPolarHBondContact O-CG1 3.43Å; L93-I116 PolarHBondContact O-N 3.37Å; L96-I116 HydrophobicContact CD2-CD1 4.44Å; L111-I116 HydrophobicContact CB-CD1 3.95Å; L111-I116 HydrophobicContact CD1-CD1 3.72Å; L111-I116 HydrophobicContact CD2-CD1 4.5Å; L111-I116 HydrophobicContact CG-CD1 4.28Å; N114-I116 HydrophobicContact CB-CD1 4.39Å; N114-I116 HydrophobicContact CB-CG1 4.16Å; I116-D118 WeakPolarHBondContact CG2-O 3.42Å; I116-L119 HydrophobicContact CG2-CD2 4.1Å; I116-L134 HydrophobicContact CD1-CD2 4.5Å; I116-N137 HydrophobicContact CB-CB 4.33Å; I116-N137 WeakPolarHBondContact CB-OD1 3.1Å; I116-N137 PolarHBondContact N-OD1 3.32Å; I116-P138 CarbonylContact O-C 3.37Å; I116-P138 WeakPolarHBondContact O-CD 3.44Å; I116-L139 HydrophobicContact CG2-CD2 4.25Å; I116-L139 PolarHBondContact O-N 2.83Å
117	V	97.2	Very high	96.2	Very high	76 Å²	76	28.1 Å²	28.1	46%	0.461	14%	0.14	S	C	.	.			trans	-99.2	-36.5	175.1	-178.7	0	0	0	0	111	K115 P138 S140	K115-V117 PolarHBondContact O-N 2.89Å; V117-P138 WeakPolarHBondContact CA-O 3.36Å; V117-P138 HydrophobicContact CG2-CG 4.18Å; V117-S140 PolarHBondContact O-N 3.5Å
118	D	96.6	Very high	95.9	Very high	84 Å²	84	24.5 Å²	24.5	45%	0.449	13%	0.129	S	C	.	.			trans	-143.9	165.2	-177.9	-151.7	-15.9	0	0	0	111.2	I116 V143 Y162	I116-D118 WeakPolarHBondContact CG2-O 3.42Å; D118-V143 WeakPolarHBondContact OD1-CG2 3.5Å; D118-Y162 PolarHBondContact OD1-OH 3.42Å
119	L	97.1	Very high	95.7	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.052	13%	0.13	C	C	.	.			trans	-111.7	142.5	177.6	-58.3	172.9	0	0	0	110.5	L96 I116 I123 F132 L134 V143 M158 Y162	L96-L119 HydrophobicContact CD1-CD2 4.1Å; I116-L119 HydrophobicContact CG2-CD2 4.1Å; L119-I123 HydrophobicContact CB-CG2 4.27Å; L119-F132 HydrophobicContact CD1-CE1 3.88Å; L119-F132 HydrophobicContact CD1-CZ 3.8Å; L119-F132 HydrophobicContact CD2-CZ 4.1Å; L119-L134 HydrophobicContact CD1-CD1 3.99Å; L119-L134 HydrophobicContact CD2-CD2 4.09Å; L119-V143 HydrophobicContact CD1-CG1 4.14Å; L119-V143 HydrophobicContact CG-CG1 4.34Å; L119-M158 HydrophobicContact CD1-CE 4.43Å; L119-M158 HydrophobicContact CD1-SD 4.35Å; L119-Y162 HydrophobicContact CB-CE1 4.38Å; L119-Y162 HydrophobicContact CB-CE2 4.36Å; L119-Y162 HydrophobicContact CD1-CE2 4.01Å
120	P	96.6	Very high	95.2	Very high	22 Å²	22	30.9 Å²	30.9	14%	0.143	15%	0.153	C	C	.	.			trans	-63.5	144.6	172.1	29.1	-35	0	0	0	110.3	L96 I100 E122 I123	L96-P120 HydrophobicContact CB-CG 3.99Å; I100-P120 HydrophobicContact CG2-CG 3.69Å; P120-E122 WeakPolarHBondContact CB-OE2 3.42Å; P120-E122 PolarHBondContact O-N 2.9Å; P120-E122 VanDerWaalsContact O-N 3.09Å; P120-I123 WeakPolarHBondContact O-CB 3.35Å; P120-I123 VanDerWaalsContact O-CG2 3.25Å; P120-I123 WeakPolarHBondContact O-CG2 3.45Å; P120-I123 PolarHBondContact O-N 3.43Å
121	S	95.7	Very high	94.9	Very high	19 Å²	19	36.4 Å²	36.4	13%	0.133	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.9	-28.7	-179.5	62.1	0	0	0	0	113.6	I123 G124 N170	S121-I123 PolarHBondContact O-N 3.43Å; S121-I123 VanDerWaalsContact O-N 3.14Å; S121-G124 PolarHBondContact O-N 3.01Å; S121-G124 VanDerWaalsContact O-N 3.09Å; S121-N170 PolarHBondContact OG-ND2 3.24Å
122	E	95.7	Very high	94.8	Very high	37 Å²	37	36.4 Å²	36.4	17%	0.173	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.3	177.5	-67.4	84.2	165.7	0	0	113.1	S98 G101 P120 G124 R125 F166	S98-E122 VanDerWaalsContact CB-CD 3.45Å; S98-E122 VanDerWaalsContact CB-OE1 3.28Å; S98-E122 WeakPolarHBondContact CB-OE1 3.26Å; S98-E122 WeakPolarHBondContact O-CB 3.18Å; S98-E122 WeakPolarHBondContact O-CG 3.41Å; G101-E122 WeakPolarHBondContact CA-O 3.48Å; P120-E122 WeakPolarHBondContact CB-OE2 3.42Å; P120-E122 PolarHBondContact O-N 2.9Å; P120-E122 VanDerWaalsContact O-N 3.09Å; E122-G124 PolarHBondContact O-N 3.06Å; E122-G124 VanDerWaalsContact O-N 3.11Å; E122-R125 WeakPolarHBondContact O-CB 3.4Å; E122-R125 PolarHBondContact O-N 3.04Å; E122-F166 HydrophobicContact CG-CD2 3.95Å; E122-F166 HydrophobicContact CG-CE2 3.75Å
123	I	96.1	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.5	-28	171.3	-157.8	79.1	0	0	0	111.5	L96 I100 L109 L119 P120 S121 R125 L126 F132 I159 Y162	L96-I123 HydrophobicContact CD1-CD1 4.33Å; I100-I123 HydrophobicContact CG2-CD1 4.3Å; L109-I123 HydrophobicContact CD2-CD1 3.86Å; L119-I123 HydrophobicContact CB-CG2 4.27Å; P120-I123 WeakPolarHBondContact O-CB 3.35Å; P120-I123 VanDerWaalsContact O-CG2 3.25Å; P120-I123 WeakPolarHBondContact O-CG2 3.45Å; P120-I123 PolarHBondContact O-N 3.43Å; S121-I123 PolarHBondContact O-N 3.43Å; S121-I123 VanDerWaalsContact O-N 3.14Å; I123-R125 PolarHBondContact O-N 3.48Å; I123-R125 VanDerWaalsContact O-N 3.16Å; I123-L126 HydrophobicContact CD1-CD1 3.58Å; I123-L126 HydrophobicContact CG1-CD1 4.24Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.15Å; I123-L126 VanDerWaalsContact O-N 3.11Å; I123-F132 HydrophobicContact CD1-CZ 4.24Å; I123-F132 HydrophobicContact CG1-CE1 4.25Å; I123-F132 HydrophobicContact CG1-CZ 4.35Å; I123-I159 HydrophobicContact CG1-CD1 4.15Å; I123-I159 WeakPolarHBondContact O-CD1 3.48Å; I123-Y162 HydrophobicContact CG2-CD1 3.92Å; I123-Y162 HydrophobicContact CG2-CD2 3.47Å; I123-Y162 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y162 HydrophobicContact CG2-CE1 4.41Å; I123-Y162 HydrophobicContact CG2-CE2 4.04Å; I123-Y162 HydrophobicContact CG2-CG 3.39Å
124	G	94.7	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-61.5	-18.9	175.2	0	0	0	0	0	114.5	S121 E122 L126 I159 M163	S121-G124 PolarHBondContact O-N 3.01Å; S121-G124 VanDerWaalsContact O-N 3.09Å; E122-G124 PolarHBondContact O-N 3.06Å; E122-G124 VanDerWaalsContact O-N 3.11Å; G124-L126 VanDerWaalsContact C-N 3.31Å; G124-I159 WeakPolarHBondContact CA-O 3.5Å; G124-M163 WeakPolarHBondContact O-CB 3.41Å
125	R	93.8	Very high	94.6	Very high	25 Å²	25	37 Å²	37	9%	0.094	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-82.2	-6.9	177.6	-60.5	177	66.6	-149.4	-7.4	113.2	G101 D102 E122 I123 L127 F166 K537	G101-R125 WeakPolarHBondContact O-CB 3.35Å; D102-R125 IonicContact OD1-CZ 3.6Å; D102-R125 IonicContact OD1-NH1 3.18Å; D102-R125 PolarHBondContact OD1-NH1 2.59Å; D102-R125 IonicContact OD1-NH2 2.76Å; E122-R125 WeakPolarHBondContact O-CB 3.4Å; E122-R125 PolarHBondContact O-N 3.04Å; I123-R125 PolarHBondContact O-N 3.48Å; I123-R125 VanDerWaalsContact O-N 3.16Å; R125-L127 VanDerWaalsContact C-N 3.28Å; R125-L127 PolarHBondContact O-N 3.33Å; R125-F166 HydrophobicContact CG-CD1 4.28Å; R125-F166 HydrophobicContact CG-CE1 4.28Å; R125-K537 PolarHBondContact NH2-O 3.45Å
126	L	94.8	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-83.8	67.6	178.5	-59.3	-174.2	0	0	0	111.7	I100 L103 L106 L109 I123 G124 N128 L129	I100-L126 HydrophobicContact CG1-CD1 4.42Å; I100-L126 WeakPolarHBondContact O-CD2 3.36Å; L103-L126 HydrophobicContact CB-CD2 4.2Å; L103-L126 WeakPolarHBondContact O-CD2 3.29Å; L106-L126 HydrophobicContact CB-CD2 4.33Å; L106-L126 HydrophobicContact CD2-CD1 4.01Å; L109-L126 HydrophobicContact CD2-CD1 4.36Å; I123-L126 HydrophobicContact CD1-CD1 3.58Å; I123-L126 HydrophobicContact CG1-CD1 4.24Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.15Å; I123-L126 VanDerWaalsContact O-N 3.11Å; G124-L126 VanDerWaalsContact C-N 3.31Å; L126-N128 PolarHBondContact O-N 2.94Å; L126-L129 HydrophobicContact CB-CB 4.15Å; L126-L129 HydrophobicContact CB-CD2 4.49Å; L126-L129 HydrophobicContact CD1-CD2 4.4Å; L126-L129 VanDerWaalsContact O-CB 3.27Å; L126-L129 WeakPolarHBondContact O-CB 3.31Å; L126-L129 PolarHBondContact O-N 2.79Å
127	L	89.6	Confident	94.5	Very high	35 Å²	35	37.2 Å²	37.2	18%	0.183	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.7	-170.5	-53.6	172.6	0	0	0	113.9	R125 M163 P212 Y213 L539	R125-L127 VanDerWaalsContact C-N 3.28Å; R125-L127 PolarHBondContact O-N 3.33Å; L127-M163 HydrophobicContact CD2-SD 3.88Å; L127-P212 WeakPolarHBondContact CD2-O 3.31Å; L127-Y213 VanDerWaalsContact CD1-CA 3.43Å; L127-Y213 HydrophobicContact CD1-CG 4.49Å; L127-L539 HydrophobicContact CD1-CD1 3.74Å
128	N	89.2	Confident	94.6	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.1	-178.4	-73.9	-49.4	0	0	0	113.6	T104 L106 R107 L126 R130 Y503	T104-N128 PolarHBondContact O-ND2 2.95Å; L106-N128 CarbonylContact O-C 3.56Å; L106-N128 VanDerWaalsContact O-C 3.28Å; R107-N128 WeakPolarHBondContact CA-O 3.11Å; R107-N128 HydrophobicContact CG-CB 4.2Å; L126-N128 PolarHBondContact O-N 2.94Å; N128-R130 PolarHBondContact O-N 2.79Å; N128-Y503 PolarHBondContact ND2-OH 2.6Å; N128-Y503 VanDerWaalsContact ND2-OH 3.17Å
129	L	92.5	Very high	94.6	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.173	C	C	.	.			trans	-69.6	116.6	-174.2	-161.1	70.3	0	0	0	111.2	L106 L109 L126 F132 I159	L106-L129 HydrophobicContact CD2-CD1 4.2Å; L106-L129 HydrophobicContact CG-CD1 4.23Å; L106-L129 WeakPolarHBondContact O-CA 3.35Å; L106-L129 PolarHBondContact O-N 2.85Å; L109-L129 HydrophobicContact CB-CD1 3.67Å; L109-L129 HydrophobicContact CB-CD2 4.4Å; L126-L129 HydrophobicContact CB-CB 4.15Å; L126-L129 HydrophobicContact CB-CD2 4.49Å; L126-L129 HydrophobicContact CD1-CD2 4.4Å; L126-L129 VanDerWaalsContact O-CB 3.27Å; L126-L129 WeakPolarHBondContact O-CB 3.31Å; L126-L129 PolarHBondContact O-N 2.79Å; L129-F132 HydrophobicContact CD2-CB 3.69Å; L129-F132 HydrophobicContact CD2-CD1 3.73Å; L129-F132 HydrophobicContact CD2-CD2 4.21Å; L129-F132 HydrophobicContact CD2-CE1 4.37Å; L129-F132 HydrophobicContact CD2-CG 3.63Å; L129-F132 HydrophobicContact CG-CB 4.13Å; L129-I159 HydrophobicContact CD2-CD1 3.99Å
130	R	86.2	Confident	94.5	Very high	130 Å²	130	35.6 Å²	35.6	49%	0.491	18%	0.182	S	C	.	.			trans	-114.9	-28.1	-179.6	-63.8	178.3	-170.9	-166.6	-0.1	112.5	R107 N128	R107-R130 PolarHBondContact O-N 3.31Å; N128-R130 PolarHBondContact O-N 2.79Å
131	H	91.8	Very high	94.6	Very high	123 Å²	123	38.7 Å²	38.7	57%	0.569	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121	96.5	-179.7	-61.2	-55	0	0	0	109	R107 A108 L109	R107-H131 PolarHBondContact O-N 3.16Å; A108-H131 CarbonylContact C-O 3.55Å; A108-H131 VanDerWaalsContact CA-O 3.3Å; A108-H131 WeakPolarHBondContact CA-O 3.1Å; A108-H131 HydrophobicContact CB-CB 3.99Å; L109-H131 PolarHBondContact N-O 3.17Å
132	F	95.6	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.7	179.9	-170.9	-165.1	0	0	0	110.5	L109 L111 L119 I123 L129 L134 Y147 I155 M158	L109-F132 HydrophobicContact CB-CD2 4.01Å; L109-F132 HydrophobicContact CB-CE2 4.39Å; L109-F132 HydrophobicContact CD2-CD2 4.07Å; L109-F132 HydrophobicContact CD2-CE2 3.64Å; L109-F132 HydrophobicContact CD2-CZ 4.23Å; L109-F132 HydrophobicContact CG-CD2 4.02Å; L109-F132 HydrophobicContact CG-CE2 3.9Å; L109-F132 WeakPolarHBondContact O-CA 3.21Å; L109-F132 WeakPolarHBondContact O-CD2 3.28Å; L111-F132 HydrophobicContact CD1-CE2 3.97Å; L119-F132 HydrophobicContact CD1-CE1 3.88Å; L119-F132 HydrophobicContact CD1-CZ 3.8Å; L119-F132 HydrophobicContact CD2-CZ 4.1Å; I123-F132 HydrophobicContact CD1-CZ 4.24Å; I123-F132 HydrophobicContact CG1-CE1 4.25Å; I123-F132 HydrophobicContact CG1-CZ 4.35Å; L129-F132 HydrophobicContact CD2-CB 3.69Å; L129-F132 HydrophobicContact CD2-CD1 3.73Å; L129-F132 HydrophobicContact CD2-CD2 4.21Å; L129-F132 HydrophobicContact CD2-CE1 4.37Å; L129-F132 HydrophobicContact CD2-CG 3.63Å; L129-F132 HydrophobicContact CG-CB 4.13Å; F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD2-CG 4.17Å; F132-L134 HydrophobicContact CE1-CD1 3.86Å; F132-L134 HydrophobicContact CE1-CG 4.38Å; F132-L134 HydrophobicContact CE2-CD1 4.02Å; F132-L134 HydrophobicContact CE2-CD2 3.61Å; F132-L134 HydrophobicContact CE2-CG 3.64Å; F132-L134 HydrophobicContact CZ-CD1 3.6Å; F132-L134 HydrophobicContact CZ-CD2 3.77Å; F132-L134 HydrophobicContact CZ-CG 3.77Å; F132-Y147 VanDerWaalsContact O-CE2 3.3Å; F132-Y147 WeakPolarHBondContact O-CE2 3.43Å; F132-Y147 PolarHBondContact O-OH 3.33Å; F132-I155 HydrophobicContact CB-CD1 3.84Å; F132-I155 HydrophobicContact CB-CG1 4.07Å; F132-I155 HydrophobicContact CB-CG2 3.99Å; F132-I155 HydrophobicContact CD1-CG2 4.48Å; F132-M158 HydrophobicContact CD1-CE 3.37Å; F132-M158 HydrophobicContact CE1-CE 3.27Å; F132-M158 HydrophobicContact CZ-CE 4.46Å
133	N	95.8	Very high	94.5	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.102	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.3	-172.8	-78.5	-16.1	0	0	0	111	N13 L109 I110 L111 N112 Y147	N13-N133 PolarHBondContact O-ND2 3.14Å; N13-N133 VanDerWaalsContact O-ND2 3.1Å; L109-N133 PolarHBondContact O-N 2.82Å; I110-N133 HydrophobicContact CB-CB 4.48Å; I110-N133 HydrophobicContact CG2-CB 4.04Å; L111-N133 CarbonylContact C-O 3.55Å; L111-N133 WeakPolarHBondContact CA-O 3.44Å; L111-N133 PolarHBondContact N-O 3.01Å; N112-N133 PolarHBondContact N-O 3.45Å; N112-N133 WeakPolarHBondContact OD1-CB 3.49Å; N133-Y147 WeakPolarHBondContact CA-OH 3.45Å
134	L	96.5	Very high	94.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.24	C	C	.	.			trans	-118.9	11.2	-178.9	-69.2	169.3	0	0	0	113.1	L111 I116 L119 F132 N137 L139 Y147 M158	L111-L134 HydrophobicContact CB-CD2 4.14Å; L111-L134 HydrophobicContact CD1-CD2 3.96Å; I116-L134 HydrophobicContact CD1-CD2 4.5Å; L119-L134 HydrophobicContact CD1-CD1 3.99Å; L119-L134 HydrophobicContact CD2-CD2 4.09Å; F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD2-CG 4.17Å; F132-L134 HydrophobicContact CE1-CD1 3.86Å; F132-L134 HydrophobicContact CE1-CG 4.38Å; F132-L134 HydrophobicContact CE2-CD1 4.02Å; F132-L134 HydrophobicContact CE2-CD2 3.61Å; F132-L134 HydrophobicContact CE2-CG 3.64Å; F132-L134 HydrophobicContact CZ-CD1 3.6Å; F132-L134 HydrophobicContact CZ-CD2 3.77Å; F132-L134 HydrophobicContact CZ-CG 3.77Å; L134-N137 WeakPolarHBondContact O-CB 3.26Å; L134-N137 PolarHBondContact O-ND2 3.07Å; L134-L139 HydrophobicContact CB-CD1 4.06Å; L134-L139 HydrophobicContact CD1-CD1 4.45Å; L134-Y147 HydrophobicContact CB-CD1 4.45Å; L134-Y147 HydrophobicContact CB-CE1 4.15Å; L134-Y147 HydrophobicContact CB-CE2 4.22Å; L134-Y147 HydrophobicContact CD1-CD2 3.85Å; L134-Y147 HydrophobicContact CD1-CE2 4.12Å; L134-Y147 HydrophobicContact CD1-CG 4.25Å; L134-Y147 HydrophobicContact CG-CE2 4.32Å; L134-Y147 PolarHBondContact N-OH 3.22Å; L134-M158 HydrophobicContact CD1-CE 4.4Å
135	N	95.7	Very high	94.6	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	152.4	-173.5	-57.9	-64.4	0	0	0	111.9	N112 D113 N137	N112-N135 CarbonylContact C-O 3.54Å; N112-N135 WeakPolarHBondContact CA-O 3.39Å; N112-N135 VanDerWaalsContact OD1-CB 3.29Å; N112-N135 WeakPolarHBondContact OD1-CB 3.21Å; N112-N135 PolarHBondContact OD1-N 2.82Å; N112-N135 PolarHBondContact OD1-ND2 3.09Å; N112-N135 VanDerWaalsContact OD1-ND2 3.14Å; D113-N135 PolarHBondContact N-O 2.84Å; N135-N137 PolarHBondContact O-N 2.69Å; N135-N137 PolarHBondContact O-ND2 3.07Å
136	D	96.4	Very high	94.7	Very high	71 Å²	71	48.2 Å²	48.2	38%	0.38	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	34	178.2	-49.2	-65.1	0	0	0	113.1	K10 H12 D113	K10-D136 IonicContact NZ-OD1 3.83Å; K10-D136 PolarHBondContact NZ-OD1 3.32Å; H12-D136 IonicContact CE1-OD2 3.73Å; H12-D136 PolarHBondContact CE1-OD2 2.97Å; D113-D136 HydrophobicContact CB-CB 4.37Å
137	N	97.9	Very high	94.7	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.112	27%	0.272	C	S	.	.	S	Bend	trans	-109.5	148.6	167	-79.4	-84.6	0	0	0	111.2	L111 N114 K115 I116 L134 N135 L139	L111-N137 PolarHBondContact O-ND2 3.46Å; N114-N137 VanDerWaalsContact CA-OD1 3.28Å; N114-N137 WeakPolarHBondContact CA-OD1 3.27Å; N114-N137 WeakPolarHBondContact CB-OD1 3.11Å; N114-N137 PolarHBondContact N-OD1 2.93Å; K115-N137 PolarHBondContact N-OD1 2.83Å; I116-N137 HydrophobicContact CB-CB 4.33Å; I116-N137 WeakPolarHBondContact CB-OD1 3.1Å; I116-N137 PolarHBondContact N-OD1 3.32Å; L134-N137 WeakPolarHBondContact O-CB 3.26Å; L134-N137 PolarHBondContact O-ND2 3.07Å; N135-N137 PolarHBondContact O-N 2.69Å; N135-N137 PolarHBondContact O-ND2 3.07Å; N137-L139 HydrophobicContact CB-CD2 3.91Å; N137-L139 HydrophobicContact CB-CG 3.95Å; N137-L139 PolarHBondContact O-N 2.76Å
138	P	97.4	Very high	95	Very high	68 Å²	68	49.1 Å²	49.1	44%	0.442	29%	0.285	S	S	.	.			trans	-77.6	53.1	174.8	36.1	-37.5	0	0	0	111.9	I116 V117	I116-P138 CarbonylContact O-C 3.37Å; I116-P138 WeakPolarHBondContact O-CD 3.44Å; V117-P138 WeakPolarHBondContact CA-O 3.36Å; V117-P138 HydrophobicContact CG2-CG 4.18Å
139	L	96.9	Very high	95.1	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.173	31%	0.307	C	S	.	.			trans	-57.3	143.8	-177.8	-59.2	174.8	0	0	0	111	I116 L134 N137 V143	I116-L139 HydrophobicContact CG2-CD2 4.25Å; I116-L139 PolarHBondContact O-N 2.83Å; L134-L139 HydrophobicContact CB-CD1 4.06Å; L134-L139 HydrophobicContact CD1-CD1 4.45Å; N137-L139 HydrophobicContact CB-CD2 3.91Å; N137-L139 HydrophobicContact CB-CG 3.95Å; N137-L139 PolarHBondContact O-N 2.76Å; L139-V143 HydrophobicContact CB-CB 4.41Å; L139-V143 HydrophobicContact CB-CG1 4.47Å; L139-V143 HydrophobicContact CD1-CG1 4.33Å; L139-V143 HydrophobicContact CD2-CG1 4.05Å
140	S	96.6	Very high	95	Very high	34 Å²	34	53.8 Å²	53.8	24%	0.238	31%	0.314	C	S	.	.			trans	-60.1	157.6	170	80.1	0	0	0	0	110.8	V117 E142 V143 S144	V117-S140 PolarHBondContact O-N 3.5Å; S140-E142 PolarHBondContact O-N 3.05Å; S140-V143 PolarHBondContact O-N 3.03Å; S140-V143 WeakPolarHBondContact OG-CG2 3.38Å; S140-V143 PolarHBondContact OG-N 3.19Å; S140-S144 WeakPolarHBondContact O-CB 3.38Å; S140-S144 PolarHBondContact O-N 2.81Å
141	A	96.8	Very high	95.3	Very high	88 Å²	88	49.2 Å²	49.2	73%	0.727	30%	0.302	S	S	*	.	H	α-helix	trans	-58.2	-34.8	-179.5	0	0	0	0	0	112.6	S145	A141-S145 VanDerWaalsContact O-CB 3.23Å; A141-S145 WeakPolarHBondContact O-CB 3.47Å; A141-S145 PolarHBondContact O-N 2.98Å
142	E	95.5	Very high	95.2	Very high	107 Å²	107	46.7 Å²	46.7	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-51.7	177.4	-174.7	178.3	170.5	0	0	111.4	S140 S144 S145 M146 Y161	S140-E142 PolarHBondContact O-N 3.05Å; E142-S144 PolarHBondContact O-N 2.93Å; E142-S145 PolarHBondContact O-N 3.01Å; E142-M146 HydrophobicContact CG-CE 4.09Å; E142-M146 PolarHBondContact O-N 3.12Å; E142-Y161 PolarHBondContact OE1-OH 3.35Å
143	V	95.8	Very high	95.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-42.5	-179.7	-178	0	0	0	0	111.1	D118 L119 L139 S140 S145 M146 Y147 Y162	D118-V143 WeakPolarHBondContact OD1-CG2 3.5Å; L119-V143 HydrophobicContact CD1-CG1 4.14Å; L119-V143 HydrophobicContact CG-CG1 4.34Å; L139-V143 HydrophobicContact CB-CB 4.41Å; L139-V143 HydrophobicContact CB-CG1 4.47Å; L139-V143 HydrophobicContact CD1-CG1 4.33Å; L139-V143 HydrophobicContact CD2-CG1 4.05Å; S140-V143 PolarHBondContact O-N 3.03Å; S140-V143 WeakPolarHBondContact OG-CG2 3.38Å; S140-V143 PolarHBondContact OG-N 3.19Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.04Å; V143-M146 PolarHBondContact O-N 3.11Å; V143-Y147 VanDerWaalsContact O-CB 3.3Å; V143-Y147 WeakPolarHBondContact O-CB 3.5Å; V143-Y147 PolarHBondContact O-N 3.06Å; V143-Y162 VanDerWaalsContact CG2-OH 3.28Å; V143-Y162 WeakPolarHBondContact CG2-OH 3.19Å
144	S	96.3	Very high	95	Very high	62 Å²	62	51 Å²	51	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.6	-178.6	0	0	0	0	111.8	S140 E142 G148	S140-S144 WeakPolarHBondContact O-CB 3.38Å; S140-S144 PolarHBondContact O-N 2.81Å; E142-S144 PolarHBondContact O-N 2.93Å; S144-G148 PolarHBondContact O-N 2.86Å
145	S	96	Very high	94.8	Very high	88 Å²	88	51.1 Å²	51.1	62%	0.615	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-42.3	176.7	-177.7	0	0	0	0	112.7	A141 E142 V143	A141-S145 VanDerWaalsContact O-CB 3.23Å; A141-S145 WeakPolarHBondContact O-CB 3.47Å; A141-S145 PolarHBondContact O-N 2.98Å; E142-S145 PolarHBondContact O-N 3.01Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.04Å
146	M	95.3	Very high	94.7	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-44.2	177.2	-71.7	-169.5	-70	0	0	112.6	E142 V143 R157 M158 Y161 Y162	E142-M146 HydrophobicContact CG-CE 4.09Å; E142-M146 PolarHBondContact O-N 3.12Å; V143-M146 PolarHBondContact O-N 3.11Å; M146-R157 PolarHBondContact O-NH2 3.03Å; M146-M158 HydrophobicContact CB-CB 4.26Å; M146-M158 HydrophobicContact CB-CG 3.99Å; M146-M158 HydrophobicContact CB-SD 4.22Å; M146-Y161 HydrophobicContact CE-CD1 3.8Å; M146-Y161 HydrophobicContact CE-CE1 3.76Å; M146-Y161 HydrophobicContact SD-CD1 3.24Å; M146-Y161 WeakPolarHBondContact SD-CD1 3.36Å; M146-Y161 HydrophobicContact SD-CD2 4.3Å; M146-Y161 HydrophobicContact SD-CE1 3.58Å; M146-Y161 VanDerWaalsContact SD-CE1 3.58Å; M146-Y161 HydrophobicContact SD-CG 3.62Å; M146-Y162 HydrophobicContact CE-CE2 3.9Å
147	Y	95.7	Very high	94.5	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-38.4	179.6	-174.5	-112.9	0	0	0	112.2	F132 N133 L134 V143 D149 G150 N154 I155 M158	F132-Y147 VanDerWaalsContact O-CE2 3.3Å; F132-Y147 WeakPolarHBondContact O-CE2 3.43Å; F132-Y147 PolarHBondContact O-OH 3.33Å; N133-Y147 WeakPolarHBondContact CA-OH 3.45Å; L134-Y147 HydrophobicContact CB-CD1 4.45Å; L134-Y147 HydrophobicContact CB-CE1 4.15Å; L134-Y147 HydrophobicContact CB-CE2 4.22Å; L134-Y147 HydrophobicContact CD1-CD2 3.85Å; L134-Y147 HydrophobicContact CD1-CE2 4.12Å; L134-Y147 HydrophobicContact CD1-CG 4.25Å; L134-Y147 HydrophobicContact CG-CE2 4.32Å; L134-Y147 PolarHBondContact N-OH 3.22Å; V143-Y147 VanDerWaalsContact O-CB 3.3Å; V143-Y147 WeakPolarHBondContact O-CB 3.5Å; V143-Y147 PolarHBondContact O-N 3.06Å; Y147-D149 PolarHBondContact O-N 2.87Å; Y147-G150 PolarHBondContact O-N 3.07Å; Y147-N154 WeakPolarHBondContact O-CB 3.38Å; Y147-I155 HydrophobicContact CE2-CG1 4.45Å; Y147-M158 HydrophobicContact CD2-CE 3.93Å; Y147-M158 HydrophobicContact CD2-SD 4.4Å
148	G	94.4	Very high	94.4	Very high	44 Å²	44	56.2 Å²	56.2	45%	0.454	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-119.4	177.3	0	0	0	0	0	112.2	S144	S144-G148 PolarHBondContact O-N 2.86Å
149	D	91.9	Very high	94.2	Very high	119 Å²	119	53.6 Å²	53.6	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1	178.7	66.5	-9.4	0	0	0	114.4	Y147 S151 N154	Y147-D149 PolarHBondContact O-N 2.87Å; D149-S151 VanDerWaalsContact C-N 3.29Å; D149-S151 PolarHBondContact O-N 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.49Å; D149-S151 PolarHBondContact OD1-N 3.05Å; D149-S151 PolarHBondContact OD1-OG 3.15Å; D149-N154 PolarHBondContact OD1-ND2 3.22Å
150	G	90.8	Very high	94.1	Very high	17 Å²	17	54.4 Å²	54.4	18%	0.175	31%	0.312	C	S	.	.			trans	73	15.8	-175.1	0	0	0	0	0	114.8	Y147 I155	Y147-G150 PolarHBondContact O-N 3.07Å; G150-I155 WeakPolarHBondContact O-CD1 3.41Å
151	S	92.4	Very high	94	Very high	34 Å²	34	57.1 Å²	57.1	24%	0.238	32%	0.318	C	S	.	.			trans	-63.2	153.9	171.7	58.1	0	0	0	0	112.4	D149 S153 N154 I155	D149-S151 VanDerWaalsContact C-N 3.29Å; D149-S151 PolarHBondContact O-N 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.49Å; D149-S151 PolarHBondContact OD1-N 3.05Å; D149-S151 PolarHBondContact OD1-OG 3.15Å; S151-S153 PolarHBondContact O-N 3.27Å; S151-S153 PolarHBondContact OG-OG 3.36Å; S151-N154 PolarHBondContact O-N 2.95Å; S151-N154 PolarHBondContact OG-N 3.23Å; S151-N154 PolarHBondContact OG-ND2 2.79Å; S151-I155 WeakPolarHBondContact O-CG1 3.28Å; S151-I155 PolarHBondContact O-N 3.04Å
152	D	90.6	Very high	94	Very high	70 Å²	70	53.6 Å²	53.6	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-54.8	-37.2	177	177.5	78.9	0	0	0	112.1	I155 R156	D152-I155 PolarHBondContact O-N 3.35Å; D152-R156 WeakPolarHBondContact O-CB 3.31Å; D152-R156 VanDerWaalsContact O-CG 3.29Å; D152-R156 WeakPolarHBondContact O-CG 3.04Å; D152-R156 PolarHBondContact O-N 3.19Å; D152-R156 IonicContact OD1-CZ 2.7Å; D152-R156 IonicContact OD1-NE 3.68Å; D152-R156 PolarHBondContact OD1-NE 3.21Å; D152-R156 IonicContact OD1-NH2 3.58Å; D152-R156 PolarHBondContact OD1-NH2 3.45Å; D152-R156 IonicContact OD2-CZ 3.76Å; D152-R156 IonicContact OD2-NE 3.03Å; D152-R156 PolarHBondContact OD2-NE 3.17Å; D152-R156 IonicContact OD2-NH2 2.78Å; D152-R156 PolarHBondContact OD2-NH2 3Å
153	S	92.2	Very high	94	Very high	79 Å²	79	48.7 Å²	48.7	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-42.8	174.9	45.9	0	0	0	0	113.2	S151 R157	S151-S153 PolarHBondContact O-N 3.27Å; S151-S153 PolarHBondContact OG-OG 3.36Å; S153-R157 WeakPolarHBondContact O-CB 3.14Å; S153-R157 PolarHBondContact O-N 2.94Å; S153-R157 VanDerWaalsContact O-N 3.1Å
154	N	94	Very high	94	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.16	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-41.3	178.2	-78.9	-24.7	0	0	0	111.1	Y147 D149 S151 R157 M158	Y147-N154 WeakPolarHBondContact O-CB 3.38Å; D149-N154 PolarHBondContact OD1-ND2 3.22Å; S151-N154 PolarHBondContact O-N 2.95Å; S151-N154 PolarHBondContact OG-N 3.23Å; S151-N154 PolarHBondContact OG-ND2 2.79Å; N154-R157 PolarHBondContact O-N 2.8Å; N154-R157 PolarHBondContact OD1-NH2 3.49Å; N154-M158 WeakPolarHBondContact O-CB 3.48Å; N154-M158 PolarHBondContact O-N 3.05Å
155	I	93.2	Very high	93.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-50.5	174.8	-66.5	166.4	0	0	0	110.3	F132 Y147 G150 S151 D152 R157 M158 I159	F132-I155 HydrophobicContact CB-CD1 3.84Å; F132-I155 HydrophobicContact CB-CG1 4.07Å; F132-I155 HydrophobicContact CB-CG2 3.99Å; F132-I155 HydrophobicContact CD1-CG2 4.48Å; Y147-I155 HydrophobicContact CE2-CG1 4.45Å; G150-I155 WeakPolarHBondContact O-CD1 3.41Å; S151-I155 WeakPolarHBondContact O-CG1 3.28Å; S151-I155 PolarHBondContact O-N 3.04Å; D152-I155 PolarHBondContact O-N 3.35Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3.27Å; I155-M158 PolarHBondContact O-N 3.29Å; I155-I159 HydrophobicContact CG2-CG1 4.23Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 3.49Å
156	R	92.1	Very high	93.8	Very high	129 Å²	129	49.4 Å²	49.4	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-43.3	178.6	-74.5	178.8	-166.5	-72.9	-18.1	112.6	D152 R160	D152-R156 WeakPolarHBondContact O-CB 3.31Å; D152-R156 VanDerWaalsContact O-CG 3.29Å; D152-R156 WeakPolarHBondContact O-CG 3.04Å; D152-R156 PolarHBondContact O-N 3.19Å; D152-R156 IonicContact OD1-CZ 2.7Å; D152-R156 IonicContact OD1-NE 3.68Å; D152-R156 PolarHBondContact OD1-NE 3.21Å; D152-R156 IonicContact OD1-NH2 3.58Å; D152-R156 PolarHBondContact OD1-NH2 3.45Å; D152-R156 IonicContact OD2-CZ 3.76Å; D152-R156 IonicContact OD2-NE 3.03Å; D152-R156 PolarHBondContact OD2-NE 3.17Å; D152-R156 IonicContact OD2-NH2 2.78Å; D152-R156 PolarHBondContact OD2-NH2 3Å; R156-R160 WeakPolarHBondContact O-CB 3.32Å; R156-R160 PolarHBondContact O-N 3Å
157	R	92.9	Very high	93.8	Very high	141 Å²	141	49.2 Å²	49.2	53%	0.532	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-42.5	177.1	-176.8	-178.7	62.3	165.3	1.9	111.4	M146 S153 N154 I155 R160 Y161	M146-R157 PolarHBondContact O-NH2 3.03Å; S153-R157 WeakPolarHBondContact O-CB 3.14Å; S153-R157 PolarHBondContact O-N 2.94Å; S153-R157 VanDerWaalsContact O-N 3.1Å; N154-R157 PolarHBondContact O-N 2.8Å; N154-R157 PolarHBondContact OD1-NH2 3.49Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3.27Å; R157-R160 PolarHBondContact O-N 2.85Å; R157-Y161 PolarHBondContact O-N 3.28Å
158	M	94.8	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-47	177.9	-175.3	175.8	65.3	0	0	111.6	L119 F132 L134 M146 Y147 N154 I155 R160 Y161 Y162	L119-M158 HydrophobicContact CD1-CE 4.43Å; L119-M158 HydrophobicContact CD1-SD 4.35Å; F132-M158 HydrophobicContact CD1-CE 3.37Å; F132-M158 HydrophobicContact CE1-CE 3.27Å; F132-M158 HydrophobicContact CZ-CE 4.46Å; L134-M158 HydrophobicContact CD1-CE 4.4Å; M146-M158 HydrophobicContact CB-CB 4.26Å; M146-M158 HydrophobicContact CB-CG 3.99Å; M146-M158 HydrophobicContact CB-SD 4.22Å; Y147-M158 HydrophobicContact CD2-CE 3.93Å; Y147-M158 HydrophobicContact CD2-SD 4.4Å; N154-M158 WeakPolarHBondContact O-CB 3.48Å; N154-M158 PolarHBondContact O-N 3.05Å; I155-M158 PolarHBondContact O-N 3.29Å; M158-R160 VanDerWaalsContact C-N 3.3Å; M158-R160 PolarHBondContact O-N 3.2Å; M158-Y161 WeakPolarHBondContact O-CB 3.31Å; M158-Y161 PolarHBondContact O-N 3.41Å; M158-Y162 HydrophobicContact CG-CD2 3.79Å; M158-Y162 HydrophobicContact CG-CE2 3.71Å; M158-Y162 WeakPolarHBondContact O-CD2 3.49Å; M158-Y162 PolarHBondContact O-N 3.39Å; M158-Y162 HydrophobicContact SD-CE2 4.28Å
159	I	94.6	Very high	93.4	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-43.3	175.4	-66.1	-66.8	0	0	0	110.6	I123 G124 L129 I155 Y161 Y162 M163	I123-I159 HydrophobicContact CG1-CD1 4.15Å; I123-I159 WeakPolarHBondContact O-CD1 3.48Å; G124-I159 WeakPolarHBondContact CA-O 3.5Å; L129-I159 HydrophobicContact CD2-CD1 3.99Å; I155-I159 HydrophobicContact CG2-CG1 4.23Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 3.49Å; I159-Y161 PolarHBondContact O-N 3.45Å; I159-Y162 PolarHBondContact O-N 2.89Å; I159-M163 WeakPolarHBondContact O-CB 3.45Å; I159-M163 PolarHBondContact O-N 2.73Å
160	R	93.9	Very high	93.2	Very high	51 Å²	51	54.9 Å²	54.9	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-45.1	175.5	-178.4	57.4	59.8	157	-4	112.4	R156 R157 M158 M163 D164 P208 P212 C214 S216	R156-R160 WeakPolarHBondContact O-CB 3.32Å; R156-R160 PolarHBondContact O-N 3Å; R157-R160 PolarHBondContact O-N 2.85Å; M158-R160 VanDerWaalsContact C-N 3.3Å; M158-R160 PolarHBondContact O-N 3.2Å; R160-M163 PolarHBondContact O-N 2.88Å; R160-D164 PolarHBondContact O-N 3.16Å; R160-P208 PolarHBondContact NH2-O 3.07Å; R160-P212 PolarHBondContact NH2-O 2.96Å; R160-C214 PolarHBondContact NH1-O 3.25Å; R160-S216 WeakPolarHBondContact CD-OG 3.38Å
161	Y	95.2	Very high	92.9	Very high	91 Å²	91	55.4 Å²	55.4	36%	0.357	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-50.8	177.1	173.8	-95.9	0	0	0	111.7	E142 M146 R157 M158 I159 M163 D164 Y165	E142-Y161 PolarHBondContact OE1-OH 3.35Å; M146-Y161 HydrophobicContact CE-CD1 3.8Å; M146-Y161 HydrophobicContact CE-CE1 3.76Å; M146-Y161 HydrophobicContact SD-CD1 3.24Å; M146-Y161 WeakPolarHBondContact SD-CD1 3.36Å; M146-Y161 HydrophobicContact SD-CD2 4.3Å; M146-Y161 HydrophobicContact SD-CE1 3.58Å; M146-Y161 VanDerWaalsContact SD-CE1 3.58Å; M146-Y161 HydrophobicContact SD-CG 3.62Å; R157-Y161 PolarHBondContact O-N 3.28Å; M158-Y161 WeakPolarHBondContact O-CB 3.31Å; M158-Y161 PolarHBondContact O-N 3.41Å; I159-Y161 PolarHBondContact O-N 3.45Å; Y161-M163 VanDerWaalsContact C-N 3.27Å; Y161-M163 PolarHBondContact O-N 3.46Å; Y161-D164 PolarHBondContact O-N 3.13Å; Y161-Y165 WeakPolarHBondContact O-CB 3.4Å; Y161-Y165 PolarHBondContact O-N 2.98Å
162	Y	96.5	Very high	92.5	Very high	14 Å²	14	60.6 Å²	60.6	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-33.8	178.8	-82.8	-69.5	0	0	0	112.5	D118 L119 I123 V143 M146 M158 I159 F166	D118-Y162 PolarHBondContact OD1-OH 3.42Å; L119-Y162 HydrophobicContact CB-CE1 4.38Å; L119-Y162 HydrophobicContact CB-CE2 4.36Å; L119-Y162 HydrophobicContact CD1-CE2 4.01Å; I123-Y162 HydrophobicContact CG2-CD1 3.92Å; I123-Y162 HydrophobicContact CG2-CD2 3.47Å; I123-Y162 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y162 HydrophobicContact CG2-CE1 4.41Å; I123-Y162 HydrophobicContact CG2-CE2 4.04Å; I123-Y162 HydrophobicContact CG2-CG 3.39Å; V143-Y162 VanDerWaalsContact CG2-OH 3.28Å; V143-Y162 WeakPolarHBondContact CG2-OH 3.19Å; M146-Y162 HydrophobicContact CE-CE2 3.9Å; M158-Y162 HydrophobicContact CG-CD2 3.79Å; M158-Y162 HydrophobicContact CG-CE2 3.71Å; M158-Y162 WeakPolarHBondContact O-CD2 3.49Å; M158-Y162 PolarHBondContact O-N 3.39Å; M158-Y162 HydrophobicContact SD-CE2 4.28Å; I159-Y162 PolarHBondContact O-N 2.89Å; Y162-F166 WeakPolarHBondContact O-CB 3.42Å; Y162-F166 PolarHBondContact O-N 3.07Å
163	M	95	Very high	92.4	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-49.8	174.5	-174.9	175.9	57.8	0	0	111.2	G124 L127 I159 R160 Y161 Y165 F166 Y167 P212 Y213 C214	G124-M163 WeakPolarHBondContact O-CB 3.41Å; L127-M163 HydrophobicContact CD2-SD 3.88Å; I159-M163 WeakPolarHBondContact O-CB 3.45Å; I159-M163 PolarHBondContact O-N 2.73Å; R160-M163 PolarHBondContact O-N 2.88Å; Y161-M163 VanDerWaalsContact C-N 3.27Å; Y161-M163 PolarHBondContact O-N 3.46Å; M163-Y165 VanDerWaalsContact C-N 3.27Å; M163-Y165 PolarHBondContact O-N 3.22Å; M163-F166 PolarHBondContact O-N 2.8Å; M163-Y167 HydrophobicContact CG-CD2 3.69Å; M163-Y167 HydrophobicContact CG-CE2 3.78Å; M163-Y167 WeakPolarHBondContact O-CD2 3.36Å; M163-Y167 PolarHBondContact O-N 2.83Å; M163-Y167 HydrophobicContact SD-CE2 4.37Å; M163-P212 WeakPolarHBondContact CE-O 3.47Å; M163-P212 VanDerWaalsContact SD-O 3.36Å; M163-Y213 VanDerWaalsContact SD-C 3.59Å; M163-C214 WeakPolarHBondContact CE-O 3.37Å
164	D	95.6	Very high	92.4	Very high	38 Å²	38	59.3 Å²	59.3	20%	0.203	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-42.7	177.8	-78.6	9.8	0	0	0	111.1	R160 Y161 L168 P215 S216 W217	R160-D164 PolarHBondContact O-N 3.16Å; Y161-D164 PolarHBondContact O-N 3.13Å; D164-L168 VanDerWaalsContact O-CB 3.25Å; D164-L168 WeakPolarHBondContact O-CB 3.21Å; D164-L168 PolarHBondContact O-N 3.03Å; D164-P215 WeakPolarHBondContact OD1-CA 2.93Å; D164-P215 VanDerWaalsContact OD1-CB 3.28Å; D164-P215 WeakPolarHBondContact OD1-CB 3.37Å; D164-S216 PolarHBondContact OD1-N 2.89Å; D164-S216 WeakPolarHBondContact OD2-CB 3.47Å; D164-W217 PolarHBondContact O-NE1 2.73Å
165	Y	95.1	Very high	92.3	Very high	105 Å²	105	59 Å²	59	41%	0.412	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-50.2	175.3	-172.9	-84.6	0	0	0	111.9	Y161 M163 Y167 L168 Y169	Y161-Y165 WeakPolarHBondContact O-CB 3.4Å; Y161-Y165 PolarHBondContact O-N 2.98Å; M163-Y165 VanDerWaalsContact C-N 3.27Å; M163-Y165 PolarHBondContact O-N 3.22Å; Y165-Y167 VanDerWaalsContact C-N 3.34Å; Y165-Y167 PolarHBondContact O-N 3.08Å; Y165-L168 PolarHBondContact O-N 3.43Å; Y165-Y169 AromaticContact CD1-CD2 3.91Å; Y165-Y169 HydrophobicContact CD1-CD2 3.91Å; Y165-Y169 AromaticContact CD2-CD2 3.68Å; Y165-Y169 HydrophobicContact CD2-CD2 3.68Å; Y165-Y169 AromaticContact CD2-CE2 3.51Å; Y165-Y169 HydrophobicContact CD2-CE2 3.51Å; Y165-Y169 AromaticContact CE1-CD2 3.8Å; Y165-Y169 HydrophobicContact CE1-CD2 3.8Å; Y165-Y169 HydrophobicContact CE1-CE2 4.46Å; Y165-Y169 AromaticContact CE2-CD2 3.56Å; Y165-Y169 HydrophobicContact CE2-CD2 3.56Å; Y165-Y169 AromaticContact CE2-CE2 3.35Å; Y165-Y169 HydrophobicContact CE2-CE2 3.35Å; Y165-Y169 AromaticContact CG-CD2 3.85Å; Y165-Y169 HydrophobicContact CG-CD2 3.85Å; Y165-Y169 HydrophobicContact CG-CE2 4.13Å; Y165-Y169 AromaticContact CZ-CD2 3.61Å; Y165-Y169 AromaticContact CZ-CE2 3.87Å; Y165-Y169 VanDerWaalsContact O-CD2 3.25Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.29Å; Y165-Y169 PolarHBondContact O-N 3.08Å; Y165-Y169 VanDerWaalsContact O-N 3.09Å
166	F	94.6	Very high	92.3	Very high	23 Å²	23	61.8 Å²	61.8	10%	0.101	29%	0.291	C	S	.	.	H	α-helix	trans	-55.3	-49.6	179.6	169.9	-95.7	0	0	0	111.3	E122 R125 Y162 M163 L168 Y169 N170 V171	E122-F166 HydrophobicContact CG-CD2 3.95Å; E122-F166 HydrophobicContact CG-CE2 3.75Å; R125-F166 HydrophobicContact CG-CD1 4.28Å; R125-F166 HydrophobicContact CG-CE1 4.28Å; Y162-F166 WeakPolarHBondContact O-CB 3.42Å; Y162-F166 PolarHBondContact O-N 3.07Å; M163-F166 PolarHBondContact O-N 2.8Å; F166-L168 VanDerWaalsContact C-N 3.33Å; F166-L168 PolarHBondContact O-N 3.47Å; F166-Y169 PolarHBondContact O-N 2.94Å; F166-N170 HydrophobicContact CD2-CB 4.04Å; F166-N170 VanDerWaalsContact CD2-ND2 3.28Å; F166-N170 WeakPolarHBondContact CD2-ND2 3.45Å; F166-N170 HydrophobicContact CE2-CB 3.86Å; F166-N170 HydrophobicContact CZ-CB 4.37Å; F166-N170 VanDerWaalsContact O-CB 3.27Å; F166-N170 WeakPolarHBondContact O-CB 3.23Å; F166-N170 PolarHBondContact O-N 3.41Å; F166-N170 PolarHBondContact O-ND2 2.79Å; F166-V171 HydrophobicContact CE1-CG2 3.9Å; F166-V171 HydrophobicContact CZ-CG2 4.37Å
167	Y	93.5	Very high	92.4	Very high	19 Å²	19	61.4 Å²	61.4	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-69.4	-31.4	-179.1	-84.4	-76.5	0	0	0	113.1	M163 Y165 V171 P215 H543 V544	M163-Y167 HydrophobicContact CG-CD2 3.69Å; M163-Y167 HydrophobicContact CG-CE2 3.78Å; M163-Y167 WeakPolarHBondContact O-CD2 3.36Å; M163-Y167 PolarHBondContact O-N 2.83Å; M163-Y167 HydrophobicContact SD-CE2 4.37Å; Y165-Y167 VanDerWaalsContact C-N 3.34Å; Y165-Y167 PolarHBondContact O-N 3.08Å; Y167-V171 HydrophobicContact CD1-CB 4.03Å; Y167-V171 HydrophobicContact CD1-CG1 4.27Å; Y167-V171 HydrophobicContact CD1-CG2 3.55Å; Y167-V171 HydrophobicContact CE1-CG2 3.92Å; Y167-V171 HydrophobicContact CG-CG2 4.37Å; Y167-P215 HydrophobicContact CD1-CG 4.38Å; Y167-P215 HydrophobicContact CD2-CB 4.14Å; Y167-P215 HydrophobicContact CD2-CG 3.87Å; Y167-P215 HydrophobicContact CG-CB 4.3Å; Y167-P215 HydrophobicContact CG-CG 3.72Å; Y167-H543 AromaticContact CE1-CD2 3.82Å; Y167-H543 AromaticContact CE1-NE2 3.39Å; Y167-H543 WeakPolarHBondContact CE1-NE2 3.26Å; Y167-V544 HydrophobicContact CD1-CG2 3.54Å; Y167-V544 HydrophobicContact CE1-CG2 4.35Å; Y167-V544 HydrophobicContact CG-CG2 4.07Å
168	L	92.3	Very high	92.4	Very high	90 Å²	90	56.1 Å²	56.1	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-69.6	-36.4	178.7	-174.5	62.5	0	0	0	112.1	D164 Y165 F166 W217	D164-L168 VanDerWaalsContact O-CB 3.25Å; D164-L168 WeakPolarHBondContact O-CB 3.21Å; D164-L168 PolarHBondContact O-N 3.03Å; Y165-L168 PolarHBondContact O-N 3.43Å; F166-L168 VanDerWaalsContact C-N 3.33Å; F166-L168 PolarHBondContact O-N 3.47Å; L168-W217 HydrophobicContact CB-CZ2 4.41Å
169	Y	91.3	Very high	92.4	Very high	125 Å²	125	63.1 Å²	63.1	49%	0.49	32%	0.318	S	S	.	.	H	α-helix	trans	-110.4	-17.4	-170.2	-64.9	-69.3	0	0	0	115.7	Y165 F166 H172	Y165-Y169 AromaticContact CD1-CD2 3.91Å; Y165-Y169 HydrophobicContact CD1-CD2 3.91Å; Y165-Y169 AromaticContact CD2-CD2 3.68Å; Y165-Y169 HydrophobicContact CD2-CD2 3.68Å; Y165-Y169 AromaticContact CD2-CE2 3.51Å; Y165-Y169 HydrophobicContact CD2-CE2 3.51Å; Y165-Y169 AromaticContact CE1-CD2 3.8Å; Y165-Y169 HydrophobicContact CE1-CD2 3.8Å; Y165-Y169 HydrophobicContact CE1-CE2 4.46Å; Y165-Y169 AromaticContact CE2-CD2 3.56Å; Y165-Y169 HydrophobicContact CE2-CD2 3.56Å; Y165-Y169 AromaticContact CE2-CE2 3.35Å; Y165-Y169 HydrophobicContact CE2-CE2 3.35Å; Y165-Y169 AromaticContact CG-CD2 3.85Å; Y165-Y169 HydrophobicContact CG-CD2 3.85Å; Y165-Y169 HydrophobicContact CG-CE2 4.13Å; Y165-Y169 AromaticContact CZ-CD2 3.61Å; Y165-Y169 AromaticContact CZ-CE2 3.87Å; Y165-Y169 VanDerWaalsContact O-CD2 3.25Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.29Å; Y165-Y169 PolarHBondContact O-N 3.08Å; Y165-Y169 VanDerWaalsContact O-N 3.09Å; F166-Y169 PolarHBondContact O-N 2.94Å; Y169-H172 PolarHBondContact O-CE1 3.18Å; Y169-H172 PolarHBondContact O-NE2 3.47Å; Y169-H172 VanDerWaalsContact O-NE2 3.08Å
170	N	87.1	Confident	92.4	Very high	78 Å²	78	67.3 Å²	67.3	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-117	-9.8	-175	-57.9	-54.5	0	0	0	114.2	S121 F166	S121-N170 PolarHBondContact OG-ND2 3.24Å; F166-N170 HydrophobicContact CD2-CB 4.04Å; F166-N170 VanDerWaalsContact CD2-ND2 3.28Å; F166-N170 WeakPolarHBondContact CD2-ND2 3.45Å; F166-N170 HydrophobicContact CE2-CB 3.86Å; F166-N170 HydrophobicContact CZ-CB 4.37Å; F166-N170 VanDerWaalsContact O-CB 3.27Å; F166-N170 WeakPolarHBondContact O-CB 3.23Å; F166-N170 PolarHBondContact O-N 3.41Å; F166-N170 PolarHBondContact O-ND2 2.79Å
171	V	84.9	Confident	92.4	Very high	27 Å²	27	67.4 Å²	67.4	16%	0.164	33%	0.333	C	S	.	.			trans	-107.5	102.9	-177	177.4	0	0	0	0	110.1	F166 Y167	F166-V171 HydrophobicContact CE1-CG2 3.9Å; F166-V171 HydrophobicContact CZ-CG2 4.37Å; Y167-V171 HydrophobicContact CD1-CB 4.03Å; Y167-V171 HydrophobicContact CD1-CG1 4.27Å; Y167-V171 HydrophobicContact CD1-CG2 3.55Å; Y167-V171 HydrophobicContact CE1-CG2 3.92Å; Y167-V171 HydrophobicContact CG-CG2 4.37Å
172	H	82.8	Confident	92.4	Very high	144 Å²	144	70.2 Å²	70.2	67%	0.667	34%	0.343	S	S	*	.			trans	-122.8	-18.4	-177.5	-54	-43.8	0	0	0	113.9	Y169	Y169-H172 PolarHBondContact O-CE1 3.18Å; Y169-H172 PolarHBondContact O-NE2 3.47Å; Y169-H172 VanDerWaalsContact O-NE2 3.08Å
173	S	88	Confident	92.3	Very high	44 Å²	44	73.3 Å²	73.3	31%	0.308	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-86.6	118.3	-178	58.2	0	0	0	0	110.9	W532 K536 H545	S173-W532 VanDerWaalsContact O-CZ2 3.29Å; S173-W532 WeakPolarHBondContact O-CZ2 3.38Å; S173-K536 WeakPolarHBondContact OG-CE 3.4Å; S173-H545 PolarHBondContact O-CD2 2.83Å; S173-H545 VanDerWaalsContact O-CD2 3.27Å; S173-H545 PolarHBondContact O-NE2 2.81Å
174	S	92.2	Very high	92.3	Very high	77 Å²	77	74.3 Å²	74.3	54%	0.538	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-77	159.2	165.7	59.3	0	0	0	0	111.3	W532	S174-W532 PolarHBondContact O-NE1 2.93Å
175	P	93	Very high	92.2	Very high	24 Å²	24	77.5 Å²	77.5	16%	0.156	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-62	153.1	167.5	26.8	-32.4	0	0	0	110.1	I528 W532	P175-I528 HydrophobicContact CB-CG2 3.94Å; P175-I528 HydrophobicContact CG-CG2 4.44Å; P175-W532 HydrophobicContact CB-CD2 3.71Å; P175-W532 HydrophobicContact CB-CE3 3.71Å; P175-W532 HydrophobicContact CB-CG 4.19Å; P175-W532 HydrophobicContact CB-CH2 4.32Å; P175-W532 HydrophobicContact CB-CZ2 4.35Å; P175-W532 HydrophobicContact CB-CZ3 4.01Å; P175-W532 HydrophobicContact CG-CE3 4.38Å; P175-W532 HydrophobicContact CG-CH2 4.2Å; P175-W532 HydrophobicContact CG-CZ2 4.43Å; P175-W532 HydrophobicContact CG-CZ3 4.16Å
176	P	93.6	Very high	92	Very high	61 Å²	61	75.5 Å²	75.5	40%	0.396	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-54	146.4	166.7	-24.2	33.8	0	0	0	111.2	R178 Y529	P176-R178 PolarHBondContact O-N 3.41Å; P176-Y529 HydrophobicContact CG-CD1 3.84Å; P176-Y529 HydrophobicContact CG-CG 4.18Å
177	P	93.2	Very high	91.8	Very high	121 Å²	121	76.4 Å²	76.4	79%	0.786	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-56.2	137.6	173.8	-23.8	33.6	0	0	0	111.5
178	R	94.2	Very high	91.4	Very high	30 Å²	30	84.8 Å²	84.8	11%	0.113	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-63.5	140.5	175.7	-65.2	169.2	70	-174.9	-2	110.3	P176 M496 L525 D526 I528 A552	P176-R178 PolarHBondContact O-N 3.41Å; R178-M496 PolarHBondContact NH2-SD 3.03Å; R178-L525 HydrophobicContact CB-CD1 3.74Å; R178-L525 HydrophobicContact CB-CD2 4.5Å; R178-L525 HydrophobicContact CB-CG 4.04Å; R178-L525 VanDerWaalsContact NH1-CD2 3.31Å; R178-D526 VanDerWaalsContact CZ-O 3.27Å; R178-D526 PolarHBondContact NE-O 2.89Å; R178-D526 PolarHBondContact NH2-O 3.27Å; R178-I528 HydrophobicContact CG-CG1 3.94Å; R178-A552 VanDerWaalsContact CZ-O 3.31Å; R178-A552 PolarHBondContact NH1-O 3.28Å; R178-A552 PolarHBondContact NH2-O 3.41Å
179	Q	93.7	Very high	91.1	Very high	147 Å²	147	85.2 Å²	85.2	69%	0.687	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-90.1	149	-178.6	-62.5	-171.2	2.2	0	0	111.6	D526	Q179-D526 VanDerWaalsContact O-CB 3.31Å; Q179-D526 WeakPolarHBondContact O-CB 3.19Å; Q179-D526 PolarHBondContact O-N 2.99Å
180	W	95.5	Very high	91	Very high	101 Å²	101	80.2 Å²	80.2	38%	0.383	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.2	172.1	-175	-99.3	0	0	0	110.3	T194 L525 L554 E556	W180-T194 HydrophobicContact CH2-CG2 4.31Å; W180-L525 HydrophobicContact CE3-CB 4.33Å; W180-L525 HydrophobicContact CE3-CD1 4.49Å; W180-L525 HydrophobicContact CZ3-CB 4.38Å; W180-L554 HydrophobicContact CH2-CG 4.49Å; W180-L554 HydrophobicContact CZ3-CD2 3.79Å; W180-L554 HydrophobicContact CZ3-CG 3.88Å; W180-E556 HydrophobicContact CH2-CB 3.81Å; W180-E556 HydrophobicContact CZ2-CB 3.52Å
181	R	93.8	Very high	91.3	Very high	53 Å²	53	77.7 Å²	77.7	20%	0.2	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.7	174.7	-64.2	175.7	63	-138.5	8.1	109.3	E494 G495 G523 S524 D526	R181-E494 PolarHBondContact NH1-O 2.78Å; R181-E494 IonicContact NH2-OE2 3.73Å; R181-G495 VanDerWaalsContact NH1-N 3.11Å; R181-G523 CarbonylContact O-C 3.49Å; R181-G523 WeakPolarHBondContact O-CA 3.48Å; R181-S524 WeakPolarHBondContact CA-O 3.5Å; R181-S524 WeakPolarHBondContact CB-O 3.29Å; R181-S524 PolarHBondContact N-O 3.31Å; R181-S524 PolarHBondContact O-N 2.94Å; R181-D526 VanDerWaalsContact CD-CG 3.48Å; R181-D526 WeakPolarHBondContact CD-OD1 3.42Å; R181-D526 HydrophobicContact CG-CB 3.99Å
182	R	94.8	Very high	91.8	Very high	151 Å²	151	77.9 Å²	77.9	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.6	171	-164.8	172.9	-154.9	-174.1	3.8	109.9	E185	R182-E185 IonicContact CZ-OE1 3.78Å; R182-E185 IonicContact CZ-OE2 3.08Å; R182-E185 IonicContact NE-OE1 3.93Å; R182-E185 PolarHBondContact NE-OE1 2.97Å; R182-E185 VanDerWaalsContact NE-OE1 3.15Å; R182-E185 IonicContact NE-OE2 3.63Å; R182-E185 IonicContact NH1-OE1 3.39Å; R182-E185 PolarHBondContact NH1-OE1 2.83Å; R182-E185 IonicContact NH1-OE2 3.26Å; R182-E185 IonicContact NH2-OE1 3.28Å; R182-E185 PolarHBondContact NH2-OE1 2.95Å; R182-E185 IonicContact NH2-OE2 2.74Å; R182-E185 PolarHBondContact NH2-OE2 2.87Å
183	L	94.1	Very high	92.5	Very high	78 Å²	78	71.1 Å²	71.1	41%	0.408	38%	0.376	S	S	.	.			trans	-112.9	-29.7	-175.4	-60.4	173.9	0	0	0	112.1	L521 L522	L183-L521 HydrophobicContact CD1-CD2 3.42Å; L183-L521 VanDerWaalsContact CD1-CD2 3.42Å; L183-L521 HydrophobicContact CD1-CG 3.8Å; L183-L522 PolarHBondContact N-O 3.24Å
184	A	94.8	Very high	93	Very high	24 Å²	24	70.2 Å²	70.2	20%	0.198	37%	0.369	C	S	.	.			trans	-155.2	159.3	175.8	0	0	0	0	0	112.4	L522	A184-L522 HydrophobicContact CB-CD2 4.08Å; A184-L522 PolarHBondContact N-O 3.44Å
185	E	93.7	Very high	93.3	Very high	106 Å²	106	66.6 Å²	66.6	50%	0.495	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-83.7	138.1	170.8	-66	-60.2	139.2	0	0	110.8	R182 R520	R182-E185 IonicContact CZ-OE1 3.78Å; R182-E185 IonicContact CZ-OE2 3.08Å; R182-E185 IonicContact NE-OE1 3.93Å; R182-E185 PolarHBondContact NE-OE1 2.97Å; R182-E185 VanDerWaalsContact NE-OE1 3.15Å; R182-E185 IonicContact NE-OE2 3.63Å; R182-E185 IonicContact NH1-OE1 3.39Å; R182-E185 PolarHBondContact NH1-OE1 2.83Å; R182-E185 IonicContact NH1-OE2 3.26Å; R182-E185 IonicContact NH2-OE1 3.28Å; R182-E185 PolarHBondContact NH2-OE1 2.95Å; R182-E185 IonicContact NH2-OE2 2.74Å; R182-E185 PolarHBondContact NH2-OE2 2.87Å; E185-R520 PolarHBondContact O-NH1 3.07Å; E185-R520 PolarHBondContact O-NH2 3.19Å
186	P	91.1	Very high	93.6	Very high	63 Å²	63	65.4 Å²	65.4	41%	0.409	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-55.2	141.7	171.5	-17.6	26.2	0	0	0	111.9	L522	P186-L522 HydrophobicContact CB-CD1 4.07Å; P186-L522 HydrophobicContact CG-CD1 3.9Å
187	S	90.1	Very high	93.9	Very high	41 Å²	41	62.5 Å²	62.5	29%	0.287	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-79.3	155.1	171.5	72.1	0	0	0	0	110.1	D189 G190 E558	S187-D189 PolarHBondContact O-N 2.94Å; S187-G190 PolarHBondContact O-N 2.8Å; S187-G190 WeakPolarHBondContact OG-CA 3.04Å; S187-G190 PolarHBondContact OG-N 2.83Å; S187-G190 VanDerWaalsContact OG-N 3.07Å; S187-E558 WeakPolarHBondContact CA-OE1 3.22Å; S187-E558 VanDerWaalsContact CB-OE1 3.23Å; S187-E558 WeakPolarHBondContact CB-OE1 3.31Å; S187-E558 PolarHBondContact N-OE1 3.01Å; S187-E558 VanDerWaalsContact OG-CD 3.27Å; S187-E558 PolarHBondContact OG-OE1 2.9Å
188	K	86.1	Confident	94.1	Very high	196 Å²	196	56.8 Å²	56.8	85%	0.852	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.1	-178.3	-172	-179	176.7	-174.2	0	112.9
189	D	85	Confident	94.3	Very high	98 Å²	98	55.4 Å²	55.4	52%	0.524	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	8.3	-173.9	-51.2	-43.7	0	0	0	112.3	S187 R349 P561	S187-D189 PolarHBondContact O-N 2.94Å; D189-R349 PolarHBondContact O-NH1 2.85Å; D189-R349 PolarHBondContact O-NH2 3.3Å; D189-P561 HydrophobicContact CB-CG 4.24Å
190	G	89.1	Confident	94.6	Very high	20 Å²	20	48.4 Å²	48.4	21%	0.206	24%	0.242	C	C	.	.			trans	-82	158.4	176.4	0	0	0	0	0	112.3	S187 E558	S187-G190 PolarHBondContact O-N 2.8Å; S187-G190 WeakPolarHBondContact OG-CA 3.04Å; S187-G190 PolarHBondContact OG-N 2.83Å; S187-G190 VanDerWaalsContact OG-N 3.07Å; G190-E558 WeakPolarHBondContact CA-OE1 3.5Å
191	F	93.6	Very high	94.7	Very high	26 Å²	26	43.6 Å²	43.6	11%	0.114	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	101.8	169.9	-171.6	-83.7	0	0	0	109.4	F193 F296 T339 E558 L559	F191-F193 AromaticContact CD1-CD1 3.98Å; F191-F193 HydrophobicContact CD1-CD1 3.98Å; F191-F193 HydrophobicContact CE1-CB 4.25Å; F191-F193 HydrophobicContact CE1-CD1 4.31Å; F191-F296 AromaticContact CE1-CE1 3.6Å; F191-F296 HydrophobicContact CE1-CE1 3.6Å; F191-F296 HydrophobicContact CE1-CZ 4.03Å; F191-F296 HydrophobicContact CZ-CE1 4.21Å; F191-T339 HydrophobicContact CD1-CG2 3.67Å; F191-T339 HydrophobicContact CD2-CG2 4.15Å; F191-T339 HydrophobicContact CE1-CG2 3.79Å; F191-T339 HydrophobicContact CE2-CG2 4.24Å; F191-T339 HydrophobicContact CG-CG2 3.86Å; F191-T339 HydrophobicContact CZ-CG2 4.07Å; F191-E558 WeakPolarHBondContact O-CA 3.4Å; F191-L559 HydrophobicContact CB-CB 4.31Å; F191-L559 PolarHBondContact N-O 2.75Å; F191-L559 VanDerWaalsContact N-O 3.08Å; F191-L559 PolarHBondContact O-N 3.09Å
192	A	95.5	Very high	94.9	Very high	31 Å²	31	41.1 Å²	41.1	26%	0.256	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.4	-179.9	0	0	0	0	0	112	L522 L557	A192-L522 HydrophobicContact CB-CD1 3.68Å; A192-L557 CarbonylContact C-O 3.59Å; A192-L557 WeakPolarHBondContact CA-O 3.4Å
193	F	97.7	Very high	95	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.7	175.1	66.8	-81.4	0	0	0	112	F191 N238 I239 F296 F351 I426 F519 E556 L557 L559	F191-F193 AromaticContact CD1-CD1 3.98Å; F191-F193 HydrophobicContact CD1-CD1 3.98Å; F191-F193 HydrophobicContact CE1-CB 4.25Å; F191-F193 HydrophobicContact CE1-CD1 4.31Å; F193-N238 VanDerWaalsContact CA-OD1 3.31Å; F193-N238 WeakPolarHBondContact CA-OD1 3.47Å; F193-N238 HydrophobicContact CB-CB 4.18Å; F193-N238 WeakPolarHBondContact CB-OD1 3.25Å; F193-I239 HydrophobicContact CD2-CD1 4.15Å; F193-I239 HydrophobicContact CD2-CG1 4.49Å; F193-I239 HydrophobicContact CE2-CD1 3.94Å; F193-F296 HydrophobicContact CB-CZ 3.82Å; F193-F296 HydrophobicContact CD2-CZ 4Å; F193-F296 HydrophobicContact CG-CE1 4.47Å; F193-F296 AromaticContact CG-CZ 3.88Å; F193-F296 HydrophobicContact CG-CZ 3.88Å; F193-F351 HydrophobicContact CE2-CE2 4.1Å; F193-F351 HydrophobicContact CE2-CZ 4.44Å; F193-F351 HydrophobicContact CZ-CD2 4.34Å; F193-F351 AromaticContact CZ-CE2 3.77Å; F193-F351 HydrophobicContact CZ-CE2 3.77Å; F193-F351 HydrophobicContact CZ-CZ 4.18Å; F193-I426 HydrophobicContact CE2-CD1 3.92Å; F193-I426 HydrophobicContact CZ-CD1 3.6Å; F193-F519 HydrophobicContact CE1-CD1 4.45Å; F193-F519 AromaticContact CE1-CE1 3.89Å; F193-F519 HydrophobicContact CE1-CE1 3.89Å; F193-F519 AromaticContact CZ-CE1 3.85Å; F193-F519 HydrophobicContact CZ-CE1 3.85Å; F193-E556 WeakPolarHBondContact O-CA 3.1Å; F193-L557 HydrophobicContact CE1-CB 4.4Å; F193-L557 HydrophobicContact CZ-CB 4.34Å; F193-L557 PolarHBondContact N-O 2.92Å; F193-L557 PolarHBondContact O-N 3.2Å; F193-L559 HydrophobicContact CE1-CB 4.38Å
194	T	98.6	Very high	95	Very high	25 Å²	25	34.5 Å²	34.5	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.9	176.7	50.3	0	0	0	0	112.5	W180 A237 N238 I239 V555 E556	W180-T194 HydrophobicContact CH2-CG2 4.31Å; T194-A237 WeakPolarHBondContact OG1-CA 3.17Å; T194-N238 PolarHBondContact N-OD1 2.79Å; T194-N238 PolarHBondContact O-N 2.98Å; T194-N238 VanDerWaalsContact O-N 3.09Å; T194-N238 PolarHBondContact OG1-N 2.95Å; T194-N238 PolarHBondContact OG1-OD1 3.37Å; T194-I239 PolarHBondContact O-N 2.91Å; T194-V555 CarbonylContact C-O 3.53Å; T194-V555 WeakPolarHBondContact CA-O 3.29Å; T194-E556 HydrophobicContact CG2-CB 4.08Å; T194-E556 HydrophobicContact CG2-CG 4.28Å
195	L	98.8	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126	174.6	-176.4	145	0	0	0	110.6	I239 V353 I426 V512 L554 V555	L195-I239 CarbonylContact C-O 3.56Å; L195-I239 VanDerWaalsContact CA-O 3.31Å; L195-I239 WeakPolarHBondContact CA-O 3.14Å; L195-I239 HydrophobicContact CD1-CB 4.2Å; L195-I239 HydrophobicContact CD1-CG2 4.01Å; L195-I239 HydrophobicContact CG-CB 4.33Å; L195-I239 HydrophobicContact CG-CG2 4.37Å; L195-V353 HydrophobicContact CD1-CG1 3.87Å; L195-V353 HydrophobicContact CD1-CG2 4.34Å; L195-I426 HydrophobicContact CD1-CD1 4.21Å; L195-I426 HydrophobicContact CD1-CG2 3.93Å; L195-V512 HydrophobicContact CD2-CG1 4.07Å; L195-V512 HydrophobicContact CD2-CG2 4.03Å; L195-L554 WeakPolarHBondContact O-CA 3.44Å; L195-V555 HydrophobicContact CB-CG2 4.17Å; L195-V555 PolarHBondContact N-O 2.86Å; L195-V555 PolarHBondContact O-N 2.87Å
196	M	98.8	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.8	172.2	179.4	179.1	-82.9	0	0	110.5	I232 Y235 A237 I239 I240 C241 A552 L553 L554	M196-I232 HydrophobicContact SD-CG1 4.02Å; M196-Y235 HydrophobicContact CE-CD2 3.64Å; M196-Y235 HydrophobicContact CE-CG 4.08Å; M196-A237 HydrophobicContact CB-CB 3.72Å; M196-I239 PolarHBondContact N-O 2.83Å; M196-I240 HydrophobicContact CB-CG1 4.41Å; M196-I240 HydrophobicContact CB-CG2 4.29Å; M196-I240 HydrophobicContact CG-CG2 4.36Å; M196-I240 HydrophobicContact SD-CG2 4.08Å; M196-C241 PolarHBondContact O-N 2.84Å; M196-A552 HydrophobicContact CE-CB 4.36Å; M196-A552 HydrophobicContact CG-CB 4.47Å; M196-L553 CarbonylContact C-O 3.59Å; M196-L553 WeakPolarHBondContact CA-O 3.4Å; M196-L554 HydrophobicContact CB-CD1 4.04Å
197	C	98.8	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.3	168.5	-178.6	0	0	0	0	109.1	C241 C428 G429 V512 L553	C197-C241 CarbonylContact C-O 3.59Å; C197-C241 WeakPolarHBondContact CA-O 3.26Å; C197-C428 HydrophobicContact CB-CB 4.17Å; C197-G429 WeakPolarHBondContact SG-CA 3.12Å; C197-G429 PolarHBondContact SG-N 3.03Å; C197-V512 HydrophobicContact CB-CG2 3.81Å; C197-L553 HydrophobicContact CB-CB 4.21Å; C197-L553 PolarHBondContact N-O 2.81Å; C197-L553 PolarHBondContact O-N 2.83Å
198	Y	98.7	Very high	95.6	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	117.7	-171.6	-169.8	-157.4	0	0	0	113.9	L200 I228 C241 L242 Q243 S548 H550 A552	Y198-L200 HydrophobicContact CD1-CD2 3.37Å; Y198-L200 HydrophobicContact CE1-CD2 3.6Å; Y198-L200 HydrophobicContact CG-CD2 3.91Å; Y198-I228 HydrophobicContact CE1-CG1 4.38Å; Y198-I228 HydrophobicContact CE1-CG2 4.23Å; Y198-C241 PolarHBondContact N-O 2.89Å; Y198-L242 WeakPolarHBondContact O-CA 3.18Å; Y198-Q243 PolarHBondContact O-N 3.36Å; Y198-Q243 VanDerWaalsContact O-N 3.1Å; Y198-Q243 PolarHBondContact O-OE1 2.91Å; Y198-S548 WeakPolarHBondContact OH-CB 3.41Å; Y198-H550 WeakPolarHBondContact CE2-O 3.34Å; Y198-A552 HydrophobicContact CD1-CB 4.09Å; Y198-A552 HydrophobicContact CD2-CB 3.83Å; Y198-A552 HydrophobicContact CE2-CB 4.27Å; Y198-A552 HydrophobicContact CG-CB 3.75Å
199	N	98.7	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.2	166.8	-176.9	-20.4	0	0	0	109.6	L201 Q243 E244 D430 S548 H550	N199-L201 PolarHBondContact OD1-N 3.04Å; N199-L201 VanDerWaalsContact OD1-N 3.12Å; N199-Q243 HydrophobicContact CB-CB 4.21Å; N199-E244 PolarHBondContact ND2-OE1 2.63Å; N199-E244 WeakPolarHBondContact OD1-CB 3.26Å; N199-E244 WeakPolarHBondContact OD1-CG 3.47Å; N199-E244 PolarHBondContact OD1-OE1 3.3Å; N199-D430 PolarHBondContact ND2-OD2 2.89Å; N199-S548 PolarHBondContact O-OG 2.82Å; N199-H550 HydrophobicContact CB-CB 4.01Å; N199-H550 PolarHBondContact ND2-NE2 2.82Å
200	L	98.5	Very high	96.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.174	C	C	.	.			trans	-87	-6.2	-169.7	-62.4	-170.7	0	0	0	115.6	Y198 R224 I228 L242 Q243 L245 F254	Y198-L200 HydrophobicContact CD1-CD2 3.37Å; Y198-L200 HydrophobicContact CE1-CD2 3.6Å; Y198-L200 HydrophobicContact CG-CD2 3.91Å; L200-R224 PolarHBondContact O-NH1 3.47Å; L200-I228 HydrophobicContact CB-CD1 4.47Å; L200-I228 HydrophobicContact CD1-CG2 4.46Å; L200-I228 HydrophobicContact CD2-CD1 4.47Å; L200-I228 HydrophobicContact CD2-CG2 3.64Å; L200-L242 HydrophobicContact CD1-CB 4.48Å; L200-L242 HydrophobicContact CD1-CD1 4.14Å; L200-L242 HydrophobicContact CD2-CD2 4.08Å; L200-L242 HydrophobicContact CG-CD2 4.45Å; L200-Q243 PolarHBondContact N-O 2.89Å; L200-Q243 VanDerWaalsContact N-O 3.1Å; L200-L245 HydrophobicContact CD1-CB 4.33Å; L200-L245 HydrophobicContact CD1-CD1 3.96Å; L200-F254 HydrophobicContact CD1-CE1 3.85Å; L200-F254 HydrophobicContact CD1-CE2 4.25Å; L200-F254 HydrophobicContact CD1-CZ 3.56Å
201	L	98.4	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.			trans	54.7	92.8	-168.4	180	55.7	0	0	0	112.4	N199 A206 Y211 R224 E244 P542 D549	N199-L201 PolarHBondContact OD1-N 3.04Å; N199-L201 VanDerWaalsContact OD1-N 3.12Å; L201-A206 HydrophobicContact CD1-CB 4.45Å; L201-A206 HydrophobicContact CD2-CB 4.14Å; L201-A206 HydrophobicContact CG-CB 4.02Å; L201-Y211 HydrophobicContact CD1-CE2 3.83Å; L201-Y211 WeakPolarHBondContact CD1-OH 3.4Å; L201-Y211 HydrophobicContact CD2-CD2 4.45Å; L201-Y211 HydrophobicContact CD2-CE1 4.41Å; L201-Y211 HydrophobicContact CD2-CE2 3.81Å; L201-Y211 HydrophobicContact CG-CE2 4.4Å; L201-R224 PolarHBondContact O-NH1 2.87Å; L201-R224 PolarHBondContact O-NH2 3.29Å; L201-E244 WeakPolarHBondContact CA-OE2 3.35Å; L201-P542 HydrophobicContact CD2-CB 4.32Å; L201-P542 HydrophobicContact CD2-CG 3.74Å; L201-D549 WeakPolarHBondContact CB-OD1 3.19Å; L201-D549 HydrophobicContact CD2-CB 4.47Å
202	S	97.6	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.			trans	-56.7	138.8	-179.8	176.2	0	0	0	0	110.6	N204 Y205 A206 E244 R246	S202-N204 PolarHBondContact O-N 3.34Å; S202-N204 PolarHBondContact OG-N 3.18Å; S202-Y205 PolarHBondContact O-N 2.88Å; S202-A206 PolarHBondContact O-N 3.13Å; S202-E244 WeakPolarHBondContact CB-O 3.26Å; S202-E244 PolarHBondContact N-OE2 3.49Å; S202-R246 WeakPolarHBondContact OG-CG 3.31Å
203	P	96.7	Very high	96.4	Very high	34 Å²	34	31.7 Å²	31.7	22%	0.221	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.5	171.7	-13.6	15.6	0	0	0	114.3	Y205 W221 H249	P203-Y205 PolarHBondContact O-N 2.84Å; P203-W221 HydrophobicContact CB-CB 4.33Å; P203-W221 HydrophobicContact CG-CB 4.02Å; P203-W221 HydrophobicContact CG-CD2 3.85Å; P203-W221 HydrophobicContact CG-CE3 3.78Å; P203-W221 HydrophobicContact CG-CG 3.95Å; P203-H249 VanDerWaalsContact CG-CE1 3.45Å; P203-H249 WeakPolarHBondContact CG-CE1 3.34Å
204	N	95.4	Very high	96.3	Very high	57 Å²	57	31.7 Å²	31.7	31%	0.305	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.8	174.5	-59.7	-13.6	0	0	0	112.4	S202 R246 K283	S202-N204 PolarHBondContact O-N 3.34Å; S202-N204 PolarHBondContact OG-N 3.18Å; N204-R246 PolarHBondContact OD1-NH1 2.96Å; N204-K283 PolarHBondContact ND2-O 3.44Å
205	Y	96.2	Very high	96.1	Very high	69 Å²	69	30.5 Å²	30.5	27%	0.271	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-21.9	-177.1	-45.3	-55	0	0	0	112.5	S202 P203 T207 Y211 E244 R272 D285	S202-Y205 PolarHBondContact O-N 2.88Å; P203-Y205 PolarHBondContact O-N 2.84Å; Y205-T207 PolarHBondContact O-N 3.4Å; Y205-Y211 WeakPolarHBondContact O-CE2 3.46Å; Y205-E244 VanDerWaalsContact CD2-OE2 3.27Å; Y205-E244 WeakPolarHBondContact CD2-OE2 3.43Å; Y205-R272 PolarHBondContact OH-NH2 3.46Å; Y205-D285 PolarHBondContact OH-OD1 2.92Å; Y205-D285 PolarHBondContact OH-OD2 2.86Å
206	A	97.3	Very high	95.9	Very high	11 Å²	11	32.6 Å²	32.6	9%	0.091	17%	0.172	C	C	.	.			trans	-68.2	60	176	0	0	0	0	0	113.7	L201 S202	L201-A206 HydrophobicContact CD1-CB 4.45Å; L201-A206 HydrophobicContact CD2-CB 4.14Å; L201-A206 HydrophobicContact CG-CB 4.02Å; S202-A206 PolarHBondContact O-N 3.13Å
207	T	95	Very high	95.8	Very high	48 Å²	48	35.9 Å²	35.9	29%	0.294	19%	0.185	S	C	.	.			trans	-101	150.9	-175.8	69.5	0	0	0	0	111.7	Y205 F209 M210 Y211	Y205-T207 PolarHBondContact O-N 3.4Å; T207-F209 PolarHBondContact O-N 2.97Å; T207-F209 VanDerWaalsContact O-N 3.09Å; T207-M210 PolarHBondContact O-N 2.97Å; T207-M210 WeakPolarHBondContact OG1-CG 3.1Å; T207-M210 PolarHBondContact OG1-N 3.09Å; T207-Y211 PolarHBondContact O-N 2.84Å
208	P	92.2	Very high	95.6	Very high	63 Å²	63	36 Å²	36	41%	0.409	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.3	171.7	-27.1	36.5	0	0	0	114.7	R160 P212 L219	R160-P208 PolarHBondContact NH2-O 3.07Å; P208-P212 VanDerWaalsContact O-CA 3.25Å; P208-P212 WeakPolarHBondContact O-CA 3.5Å; P208-L219 HydrophobicContact CG-CD1 4.25Å
209	F	91.2	Very high	95.5	Very high	182 Å²	182	36.3 Å²	36.3	80%	0.798	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-46.4	175.4	179.1	-95.3	0	0	0	111.6	T207	T207-F209 PolarHBondContact O-N 2.97Å; T207-F209 VanDerWaalsContact O-N 3.09Å
210	M	93.7	Very high	95.5	Very high	104 Å²	104	40.2 Å²	40.2	51%	0.512	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.3	176.8	-68	-62.9	-68.4	0	0	112.1	T207 P212	T207-M210 PolarHBondContact O-N 2.97Å; T207-M210 WeakPolarHBondContact OG1-CG 3.1Å; T207-M210 PolarHBondContact OG1-N 3.09Å; M210-P212 VanDerWaalsContact O-CD 3.28Å; M210-P212 WeakPolarHBondContact O-CD 3.43Å
211	Y	95.9	Very high	95.4	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.047	21%	0.213	C	C	.	.			trans	-122.7	65.9	-176.3	-54.9	-74.9	0	0	0	110.6	L201 Y205 T207 Y213 C214 L219 T502 P542 D549	L201-Y211 HydrophobicContact CD1-CE2 3.83Å; L201-Y211 WeakPolarHBondContact CD1-OH 3.4Å; L201-Y211 HydrophobicContact CD2-CD2 4.45Å; L201-Y211 HydrophobicContact CD2-CE1 4.41Å; L201-Y211 HydrophobicContact CD2-CE2 3.81Å; L201-Y211 HydrophobicContact CG-CE2 4.4Å; Y205-Y211 WeakPolarHBondContact O-CE2 3.46Å; T207-Y211 PolarHBondContact O-N 2.84Å; Y211-Y213 HydrophobicContact CD1-CE2 4.23Å; Y211-Y213 AromaticContact CD1-CZ 3.8Å; Y211-Y213 WeakPolarHBondContact CD1-OH 3.27Å; Y211-Y213 PolarHBondContact O-N 3.49Å; Y211-C214 PolarHBondContact O-N 2.88Å; Y211-C214 VanDerWaalsContact O-N 3.17Å; Y211-L219 HydrophobicContact CD2-CD2 4.18Å; Y211-L219 HydrophobicContact CG-CD2 4.24Å; Y211-T502 HydrophobicContact CE1-CG2 4.08Å; Y211-P542 HydrophobicContact CD1-CG 4.36Å; Y211-P542 HydrophobicContact CG-CG 4.28Å; Y211-D549 HydrophobicContact CE1-CB 3.89Å; Y211-D549 VanDerWaalsContact OH-CG 3.29Å; Y211-D549 PolarHBondContact OH-OD2 2.94Å
212	P	92.3	Very high	95.3	Very high	45 Å²	45	45 Å²	45	29%	0.292	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26	-174.7	26.9	-34.4	0	0	0	112.8	L127 R160 M163 P208 M210 C214	L127-P212 WeakPolarHBondContact CD2-O 3.31Å; R160-P212 PolarHBondContact NH2-O 2.96Å; M163-P212 WeakPolarHBondContact CE-O 3.47Å; M163-P212 VanDerWaalsContact SD-O 3.36Å; P208-P212 VanDerWaalsContact O-CA 3.25Å; P208-P212 WeakPolarHBondContact O-CA 3.5Å; M210-P212 VanDerWaalsContact O-CD 3.28Å; M210-P212 WeakPolarHBondContact O-CD 3.43Å; P212-C214 VanDerWaalsContact C-N 3.34Å
213	Y	93.1	Very high	95.2	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.047	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.1	178.4	47.3	-96.9	0	0	0	114.9	L127 M163 Y211 T502 Y503 C541	L127-Y213 VanDerWaalsContact CD1-CA 3.43Å; L127-Y213 HydrophobicContact CD1-CG 4.49Å; M163-Y213 VanDerWaalsContact SD-C 3.59Å; Y211-Y213 HydrophobicContact CD1-CE2 4.23Å; Y211-Y213 AromaticContact CD1-CZ 3.8Å; Y211-Y213 WeakPolarHBondContact CD1-OH 3.27Å; Y211-Y213 PolarHBondContact O-N 3.49Å; Y213-T502 VanDerWaalsContact OH-CA 3.27Å; Y213-T502 WeakPolarHBondContact OH-CA 3.12Å; Y213-T502 VanDerWaalsContact OH-CB 3.3Å; Y213-T502 WeakPolarHBondContact OH-CB 3.35Å; Y213-Y503 HydrophobicContact CD1-CG 4.44Å; Y213-Y503 PolarHBondContact OH-N 3.13Å; Y213-C541 WeakPolarHBondContact CE2-O 3.34Å; Y213-C541 PolarHBondContact OH-O 3.14Å
214	C	95.8	Very high	95.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.233	C	C	.	.	S	Bend	trans	-99.6	130.2	-177.4	-166.7	0	0	0	0	110.2	R160 M163 Y211 P212 L219 P542	R160-C214 PolarHBondContact NH1-O 3.25Å; M163-C214 WeakPolarHBondContact CE-O 3.37Å; Y211-C214 PolarHBondContact O-N 2.88Å; Y211-C214 VanDerWaalsContact O-N 3.17Å; P212-C214 VanDerWaalsContact C-N 3.34Å; C214-L219 HydrophobicContact CB-CD1 4.1Å; C214-L219 HydrophobicContact CB-CD2 3.78Å; C214-L219 HydrophobicContact CB-CG 3.73Å; C214-P542 HydrophobicContact CB-CG 4.41Å; C214-P542 WeakPolarHBondContact CB-O 3.41Å; C214-P542 PolarHBondContact SG-O 3.28Å
215	P	95.3	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.			trans	-63.6	145.5	178.3	27.6	-34.9	0	0	0	111.3	D164 Y167 W217 A218 L219 V544	D164-P215 WeakPolarHBondContact OD1-CA 2.93Å; D164-P215 VanDerWaalsContact OD1-CB 3.28Å; D164-P215 WeakPolarHBondContact OD1-CB 3.37Å; Y167-P215 HydrophobicContact CD1-CG 4.38Å; Y167-P215 HydrophobicContact CD2-CB 4.14Å; Y167-P215 HydrophobicContact CD2-CG 3.87Å; Y167-P215 HydrophobicContact CG-CB 4.3Å; Y167-P215 HydrophobicContact CG-CG 3.72Å; P215-W217 VanDerWaalsContact C-N 3.26Å; P215-W217 HydrophobicContact CB-CZ2 4.43Å; P215-W217 HydrophobicContact CG-CZ2 4.05Å; P215-W217 PolarHBondContact O-N 2.87Å; P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 3.1Å; P215-L219 PolarHBondContact O-N 3.33Å; P215-V544 HydrophobicContact CG-CG2 3.93Å
216	S	94.6	Very high	95.4	Very high	45 Å²	45	51.2 Å²	51.2	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-35	-169.6	-74.3	0	0	0	0	113.1	R160 D164 A218 L219 N220	R160-S216 WeakPolarHBondContact CD-OG 3.38Å; D164-S216 PolarHBondContact OD1-N 2.89Å; D164-S216 WeakPolarHBondContact OD2-CB 3.47Å; S216-A218 VanDerWaalsContact C-N 3.35Å; S216-L219 PolarHBondContact O-N 3.28Å; S216-N220 PolarHBondContact O-N 2.71Å
217	W	95.6	Very high	95.3	Very high	69 Å²	69	52.4 Å²	52.4	26%	0.261	26%	0.257	S	S	.	.	H	α-helix	trans	-70.1	-29.8	176.3	57.6	-98.9	0	0	0	113	D164 L168 P215 N220 Y223 V544	D164-W217 PolarHBondContact O-NE1 2.73Å; L168-W217 HydrophobicContact CB-CZ2 4.41Å; P215-W217 VanDerWaalsContact C-N 3.26Å; P215-W217 HydrophobicContact CB-CZ2 4.43Å; P215-W217 HydrophobicContact CG-CZ2 4.05Å; P215-W217 PolarHBondContact O-N 2.87Å; W217-N220 WeakPolarHBondContact O-CB 3.49Å; W217-Y223 HydrophobicContact CE3-CD2 4.03Å; W217-Y223 AromaticContact CE3-CE2 3.86Å; W217-Y223 HydrophobicContact CE3-CE2 3.86Å; W217-Y223 HydrophobicContact CE3-CG 4.48Å; W217-Y223 HydrophobicContact CZ3-CD2 4.22Å; W217-Y223 HydrophobicContact CZ3-CE1 4.24Å; W217-Y223 AromaticContact CZ3-CE2 3.57Å; W217-Y223 HydrophobicContact CZ3-CE2 3.57Å; W217-Y223 AromaticContact CZ3-CZ 3.6Å; W217-Y223 WeakPolarHBondContact O-CB 3.5Å; W217-V544 HydrophobicContact CH2-CB 4.07Å; W217-V544 HydrophobicContact CH2-CG1 3.51Å; W217-V544 HydrophobicContact CH2-CG2 3.44Å; W217-V544 VanDerWaalsContact CH2-CG2 3.44Å; W217-V544 HydrophobicContact CZ2-CG2 3.91Å; W217-V544 HydrophobicContact CZ3-CG1 3.94Å; W217-V544 HydrophobicContact CZ3-CG2 4.14Å
218	A	96.1	Very high	95.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-80.4	-26.3	176.1	0	0	0	0	0	112.4	P215 S216 N220 Y223 R224 V544	P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 3.1Å; S216-A218 VanDerWaalsContact C-N 3.35Å; A218-N220 VanDerWaalsContact C-N 3.31Å; A218-Y223 HydrophobicContact CB-CD1 4.21Å; A218-Y223 HydrophobicContact CB-CE1 4.12Å; A218-R224 WeakPolarHBondContact O-CD 3.46Å; A218-R224 WeakPolarHBondContact O-CG 3.36Å; A218-V544 HydrophobicContact CB-CG2 4.31Å
219	L	96.7	Very high	95.7	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-26.5	170.8	-76	174.3	0	0	0	113.1	P208 Y211 C214 P215 S216 W221 R224 P542	P208-L219 HydrophobicContact CG-CD1 4.25Å; Y211-L219 HydrophobicContact CD2-CD2 4.18Å; Y211-L219 HydrophobicContact CG-CD2 4.24Å; C214-L219 HydrophobicContact CB-CD1 4.1Å; C214-L219 HydrophobicContact CB-CD2 3.78Å; C214-L219 HydrophobicContact CB-CG 3.73Å; P215-L219 PolarHBondContact O-N 3.33Å; S216-L219 PolarHBondContact O-N 3.28Å; L219-W221 PolarHBondContact O-N 3.01Å; L219-R224 WeakPolarHBondContact O-CD 3.03Å; L219-R224 PolarHBondContact O-NE 3.23Å; L219-P542 HydrophobicContact CD2-CG 3.54Å
220	N	97.1	Very high	95.9	Very high	82 Å²	82	42.7 Å²	42.7	44%	0.439	21%	0.208	S	C	.	.	S	Bend	trans	-58	133.3	-177.2	-172.7	-67.1	0	0	0	111.4	S216 W217 A218 D222 Y223 R224	S216-N220 PolarHBondContact O-N 2.71Å; W217-N220 WeakPolarHBondContact O-CB 3.49Å; A218-N220 VanDerWaalsContact C-N 3.31Å; N220-D222 VanDerWaalsContact C-N 3.3Å; N220-D222 PolarHBondContact O-N 2.74Å; N220-D222 WeakPolarHBondContact OD1-CB 3.45Å; N220-D222 PolarHBondContact OD1-N 3.15Å; N220-Y223 WeakPolarHBondContact O-CB 3.4Å; N220-Y223 PolarHBondContact O-N 3.32Å; N220-R224 PolarHBondContact O-N 2.91Å
221	W	97.2	Very high	96	Very high	26 Å²	26	39.6 Å²	39.6	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-40	-178.6	174.5	-115	0	0	0	113.6	P203 L219 Y223 R224 R225 I228 H249 F254	P203-W221 HydrophobicContact CB-CB 4.33Å; P203-W221 HydrophobicContact CG-CB 4.02Å; P203-W221 HydrophobicContact CG-CD2 3.85Å; P203-W221 HydrophobicContact CG-CE3 3.78Å; P203-W221 HydrophobicContact CG-CG 3.95Å; L219-W221 PolarHBondContact O-N 3.01Å; W221-Y223 PolarHBondContact O-N 3.1Å; W221-R224 PolarHBondContact O-N 3.45Å; W221-R225 HydrophobicContact CD2-CB 3.98Å; W221-R225 HydrophobicContact CE3-CB 4.29Å; W221-R225 HydrophobicContact CH2-CB 3.99Å; W221-R225 HydrophobicContact CZ2-CB 3.61Å; W221-R225 HydrophobicContact CZ3-CB 4.31Å; W221-R225 VanDerWaalsContact O-CB 3.24Å; W221-R225 WeakPolarHBondContact O-CB 3.49Å; W221-R225 VanDerWaalsContact O-CG 3.29Å; W221-R225 WeakPolarHBondContact O-CG 3.32Å; W221-R225 PolarHBondContact O-N 2.91Å; W221-I228 HydrophobicContact CH2-CD1 4.45Å; W221-I228 HydrophobicContact CZ3-CD1 4.01Å; W221-H249 AromaticContact CD1-CE1 3.34Å; W221-H249 AromaticContact CD1-NE2 3.56Å; W221-H249 AromaticContact CD2-CE1 3.49Å; W221-H249 VanDerWaalsContact CD2-CE1 3.49Å; W221-H249 AromaticContact CD2-ND1 3.75Å; W221-H249 AromaticContact CE2-CE1 3.13Å; W221-H249 AromaticContact CE2-CG 3.82Å; W221-H249 AromaticContact CE2-ND1 3.1Å; W221-H249 AromaticContact CE2-NE2 3.86Å; W221-H249 AromaticContact CG-CE1 3.6Å; W221-H249 AromaticContact CH2-ND1 3.77Å; W221-H249 HydrophobicContact CZ2-CB 4.02Å; W221-H249 AromaticContact CZ2-CE1 3.7Å; W221-H249 AromaticContact CZ2-CG 3.68Å; W221-H249 AromaticContact CZ2-ND1 3.12Å; W221-H249 WeakPolarHBondContact CZ2-ND1 3.43Å; W221-H249 AromaticContact NE1-CD2 3.75Å; W221-H249 AromaticContact NE1-CE1 3Å; W221-H249 PolarHBondContact NE1-CE1 2.57Å; W221-H249 AromaticContact NE1-CG 3.78Å; W221-H249 AromaticContact NE1-ND1 3.36Å; W221-H249 PolarHBondContact NE1-ND1 3.14Å; W221-H249 AromaticContact NE1-NE2 3.27Å; W221-H249 PolarHBondContact NE1-NE2 3.42Å; W221-F254 AromaticContact CH2-CE2 3.77Å; W221-F254 HydrophobicContact CH2-CE2 3.77Å; W221-F254 HydrophobicContact CH2-CZ 4.09Å; W221-F254 AromaticContact CZ2-CE2 3.82Å; W221-F254 HydrophobicContact CZ2-CE2 3.82Å
222	D	96.1	Very high	96.1	Very high	76 Å²	76	39.1 Å²	39.1	41%	0.406	19%	0.19	S	C	.	.	H	α-helix	trans	-66.2	-25.8	-179.3	-66.8	-32.4	0	0	0	112.3	N220 R225 R226	N220-D222 VanDerWaalsContact C-N 3.3Å; N220-D222 PolarHBondContact O-N 2.74Å; N220-D222 WeakPolarHBondContact OD1-CB 3.45Å; N220-D222 PolarHBondContact OD1-N 3.15Å; D222-R225 IonicContact OD1-CZ 3.78Å; D222-R225 IonicContact OD1-NE 3.41Å; D222-R225 IonicContact OD1-NH1 3.39Å; D222-R225 PolarHBondContact OD1-NH1 3.42Å; D222-R225 IonicContact OD1-NH2 3.86Å; D222-R225 PolarHBondContact OD1-NH2 2.87Å; D222-R226 PolarHBondContact O-NE 2.71Å
223	Y	96.3	Very high	96.3	Very high	60 Å²	60	41.4 Å²	41.4	24%	0.235	19%	0.193	C	C	.	.	H	α-helix	trans	-75.3	-57.9	169.4	-176.2	-89.3	0	0	0	110.8	W217 A218 N220 W221 R225 R226 V544	W217-Y223 HydrophobicContact CE3-CD2 4.03Å; W217-Y223 AromaticContact CE3-CE2 3.86Å; W217-Y223 HydrophobicContact CE3-CE2 3.86Å; W217-Y223 HydrophobicContact CE3-CG 4.48Å; W217-Y223 HydrophobicContact CZ3-CD2 4.22Å; W217-Y223 HydrophobicContact CZ3-CE1 4.24Å; W217-Y223 AromaticContact CZ3-CE2 3.57Å; W217-Y223 HydrophobicContact CZ3-CE2 3.57Å; W217-Y223 AromaticContact CZ3-CZ 3.6Å; W217-Y223 WeakPolarHBondContact O-CB 3.5Å; A218-Y223 HydrophobicContact CB-CD1 4.21Å; A218-Y223 HydrophobicContact CB-CE1 4.12Å; N220-Y223 WeakPolarHBondContact O-CB 3.4Å; N220-Y223 PolarHBondContact O-N 3.32Å; W221-Y223 PolarHBondContact O-N 3.1Å; Y223-R225 PolarHBondContact O-N 2.92Å; Y223-R226 PolarHBondContact O-N 3.22Å; Y223-V544 WeakPolarHBondContact CE1-O 3.46Å; Y223-V544 WeakPolarHBondContact OH-CG1 3.22Å; Y223-V544 PolarHBondContact OH-O 3.13Å
224	R	98	Very high	96.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-42.7	-174.7	-63.4	-173.7	-53.8	102.7	-10.3	113.1	L200 L201 A218 L219 N220 W221 R226 A227 I228 P547	L200-R224 PolarHBondContact O-NH1 3.47Å; L201-R224 PolarHBondContact O-NH1 2.87Å; L201-R224 PolarHBondContact O-NH2 3.29Å; A218-R224 WeakPolarHBondContact O-CD 3.46Å; A218-R224 WeakPolarHBondContact O-CG 3.36Å; L219-R224 WeakPolarHBondContact O-CD 3.03Å; L219-R224 PolarHBondContact O-NE 3.23Å; N220-R224 PolarHBondContact O-N 2.91Å; W221-R224 PolarHBondContact O-N 3.45Å; R224-R226 PolarHBondContact O-N 3.4Å; R224-A227 PolarHBondContact O-N 3Å; R224-I228 HydrophobicContact CB-CD1 4.38Å; R224-I228 WeakPolarHBondContact O-CG1 3.5Å; R224-I228 PolarHBondContact O-N 3.39Å; R224-P547 HydrophobicContact CB-CB 3.95Å; R224-P547 VanDerWaalsContact CD-O 3.28Å; R224-P547 WeakPolarHBondContact CD-O 3.31Å; R224-P547 HydrophobicContact CG-CB 4.31Å; R224-P547 PolarHBondContact NH1-O 3.49Å
225	R	96.7	Very high	96.5	Very high	82 Å²	82	50.2 Å²	50.2	31%	0.309	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-31.1	-177	78.1	-177.1	-177.1	-163.5	-10.1	113.2	W221 D222 Y223 L229	W221-R225 HydrophobicContact CD2-CB 3.98Å; W221-R225 HydrophobicContact CE3-CB 4.29Å; W221-R225 HydrophobicContact CH2-CB 3.99Å; W221-R225 HydrophobicContact CZ2-CB 3.61Å; W221-R225 HydrophobicContact CZ3-CB 4.31Å; W221-R225 VanDerWaalsContact O-CB 3.24Å; W221-R225 WeakPolarHBondContact O-CB 3.49Å; W221-R225 VanDerWaalsContact O-CG 3.29Å; W221-R225 WeakPolarHBondContact O-CG 3.32Å; W221-R225 PolarHBondContact O-N 2.91Å; D222-R225 IonicContact OD1-CZ 3.78Å; D222-R225 IonicContact OD1-NE 3.41Å; D222-R225 IonicContact OD1-NH1 3.39Å; D222-R225 PolarHBondContact OD1-NH1 3.42Å; D222-R225 IonicContact OD1-NH2 3.86Å; D222-R225 PolarHBondContact OD1-NH2 2.87Å; Y223-R225 PolarHBondContact O-N 2.92Å; R225-L229 WeakPolarHBondContact O-CB 3.19Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 3.41Å
226	R	96.8	Very high	96.6	Very high	146 Å²	146	54.2 Å²	54.2	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-65.4	-52.9	178.4	-74.5	-178.3	-82.2	148.2	-8.2	109.8	D222 Y223 R224 I228 L229 D230	D222-R226 PolarHBondContact O-NE 2.71Å; Y223-R226 PolarHBondContact O-N 3.22Å; R224-R226 PolarHBondContact O-N 3.4Å; R226-I228 PolarHBondContact O-N 3.41Å; R226-L229 PolarHBondContact O-N 2.7Å; R226-D230 WeakPolarHBondContact O-CB 3.48Å; R226-D230 PolarHBondContact O-N 3.34Å
227	A	95.8	Very high	96.7	Very high	37 Å²	37	52 Å²	52	31%	0.306	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-40.4	176.9	0	0	0	0	0	112.6	R224 D230 E231 P547	R224-A227 PolarHBondContact O-N 3Å; A227-D230 PolarHBondContact O-N 3.08Å; A227-E231 WeakPolarHBondContact O-CB 3.45Å; A227-E231 PolarHBondContact O-N 3.49Å; A227-P547 HydrophobicContact CB-CB 3.91Å; A227-P547 HydrophobicContact CB-CG 3.82Å
228	I	97.9	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-49.1	176.2	-69.6	165.7	0	0	0	111.3	Y198 L200 W221 R224 R226 D230 E231 I232 F254 P547	Y198-I228 HydrophobicContact CE1-CG1 4.38Å; Y198-I228 HydrophobicContact CE1-CG2 4.23Å; L200-I228 HydrophobicContact CB-CD1 4.47Å; L200-I228 HydrophobicContact CD1-CG2 4.46Å; L200-I228 HydrophobicContact CD2-CD1 4.47Å; L200-I228 HydrophobicContact CD2-CG2 3.64Å; W221-I228 HydrophobicContact CH2-CD1 4.45Å; W221-I228 HydrophobicContact CZ3-CD1 4.01Å; R224-I228 HydrophobicContact CB-CD1 4.38Å; R224-I228 WeakPolarHBondContact O-CG1 3.5Å; R224-I228 PolarHBondContact O-N 3.39Å; R226-I228 PolarHBondContact O-N 3.41Å; I228-D230 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 3.15Å; I228-E231 PolarHBondContact O-N 2.85Å; I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 WeakPolarHBondContact O-CG1 3.24Å; I228-I232 PolarHBondContact O-N 2.85Å; I228-F254 HydrophobicContact CG2-CE1 3.88Å; I228-F254 HydrophobicContact CG2-CZ 3.8Å; I228-P547 HydrophobicContact CD1-CB 4.28Å; I228-P547 HydrophobicContact CG1-CB 3.78Å; I228-P547 HydrophobicContact CG1-CG 3.59Å
229	L	97.5	Very high	97	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-38.4	179.1	-75.3	172.2	0	0	0	111.6	R225 R226 I232 R233 V253 F254 E257	R225-L229 WeakPolarHBondContact O-CB 3.19Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 3.41Å; R226-L229 PolarHBondContact O-N 2.7Å; L229-I232 PolarHBondContact O-N 2.97Å; L229-R233 WeakPolarHBondContact O-CB 3.26Å; L229-R233 WeakPolarHBondContact O-CD 3.41Å; L229-R233 WeakPolarHBondContact O-CG 3.38Å; L229-R233 PolarHBondContact O-N 3.45Å; L229-V253 HydrophobicContact CD1-CG1 3.93Å; L229-F254 HydrophobicContact CD2-CD1 4Å; L229-F254 HydrophobicContact CD2-CE1 4.01Å; L229-E257 HydrophobicContact CD1-CG 4.32Å; L229-E257 HydrophobicContact CD2-CB 4.38Å
230	D	96.1	Very high	97.1	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-42.9	177	-68.6	-18.5	0	0	0	111.1	R226 A227 I228 I232 R233 I234	R226-D230 WeakPolarHBondContact O-CB 3.48Å; R226-D230 PolarHBondContact O-N 3.34Å; A227-D230 PolarHBondContact O-N 3.08Å; I228-D230 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 3.15Å; D230-I232 PolarHBondContact O-N 3.3Å; D230-R233 PolarHBondContact O-N 3.47Å; D230-R233 IonicContact OD1-NH1 3.61Å; D230-R233 PolarHBondContact OD1-NH1 2.87Å; D230-I234 WeakPolarHBondContact O-CB 3.39Å; D230-I234 WeakPolarHBondContact O-CD1 3.35Å; D230-I234 WeakPolarHBondContact O-CG1 3.42Å; D230-I234 PolarHBondContact O-N 3.44Å
231	E	95.9	Very high	97.2	Very high	38 Å²	38	45 Å²	45	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-45.9	174.5	-173.3	169	-174.6	0	0	111.9	A227 I228 R233 I234 Y235	A227-E231 WeakPolarHBondContact O-CB 3.45Å; A227-E231 PolarHBondContact O-N 3.49Å; I228-E231 PolarHBondContact O-N 2.85Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.29Å; E231-I234 PolarHBondContact O-N 3.22Å; E231-Y235 HydrophobicContact CG-CD2 3.71Å; E231-Y235 HydrophobicContact CG-CE2 3.57Å; E231-Y235 VanDerWaalsContact O-CD2 3.29Å; E231-Y235 WeakPolarHBondContact O-CD2 3.48Å; E231-Y235 PolarHBondContact O-N 3Å; E231-Y235 VanDerWaalsContact O-N 3.12Å
232	I	97.6	Very high	97.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-42.4	175.5	-70.5	169.2	0	0	0	111.2	M196 I228 L229 D230 H236 I240 L242 F254 L258	M196-I232 HydrophobicContact SD-CG1 4.02Å; I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 WeakPolarHBondContact O-CG1 3.24Å; I228-I232 PolarHBondContact O-N 2.85Å; L229-I232 PolarHBondContact O-N 2.97Å; D230-I232 PolarHBondContact O-N 3.3Å; I232-H236 PolarHBondContact O-N 3.06Å; I232-I240 HydrophobicContact CG2-CD1 3.61Å; I232-L242 HydrophobicContact CD1-CD1 4.39Å; I232-L242 HydrophobicContact CD1-CD2 4.49Å; I232-F254 HydrophobicContact CD1-CD1 4.28Å; I232-F254 HydrophobicContact CD1-CE1 3.78Å; I232-L258 HydrophobicContact CG2-CD1 4.49Å; I232-L258 HydrophobicContact CG2-CD2 3.75Å
233	R	96.9	Very high	97.4	Very high	94 Å²	94	40.1 Å²	40.1	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-69.9	-40.6	179.9	-73.7	165.5	179.8	164.6	-3.6	112.6	L229 D230 E231 E257 L261	L229-R233 WeakPolarHBondContact O-CB 3.26Å; L229-R233 WeakPolarHBondContact O-CD 3.41Å; L229-R233 WeakPolarHBondContact O-CG 3.38Å; L229-R233 PolarHBondContact O-N 3.45Å; D230-R233 PolarHBondContact O-N 3.47Å; D230-R233 IonicContact OD1-NH1 3.61Å; D230-R233 PolarHBondContact OD1-NH1 2.87Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.29Å; R233-E257 IonicContact CZ-OE2 3.67Å; R233-E257 IonicContact NH2-OE2 3.44Å; R233-E257 PolarHBondContact NH2-OE2 2.97Å; R233-L261 HydrophobicContact CG-CD1 4.04Å
234	I	95.2	Very high	97.5	Very high	133 Å²	133	38.2 Å²	38.2	68%	0.682	18%	0.175	S	C	*	.	H	α-helix	trans	-62.8	-47.4	179.7	-73.5	164	0	0	0	110	D230 E231	D230-I234 WeakPolarHBondContact O-CB 3.39Å; D230-I234 WeakPolarHBondContact O-CD1 3.35Å; D230-I234 WeakPolarHBondContact O-CG1 3.42Å; D230-I234 PolarHBondContact O-N 3.44Å; E231-I234 PolarHBondContact O-N 3.22Å
235	Y	96.3	Very high	97.5	Very high	64 Å²	64	38.2 Å²	38.2	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-78.3	-28.3	-179.5	-70.2	-54.2	0	0	0	113.5	M196 E231 A237 L525 L554	M196-Y235 HydrophobicContact CE-CD2 3.64Å; M196-Y235 HydrophobicContact CE-CG 4.08Å; E231-Y235 HydrophobicContact CG-CD2 3.71Å; E231-Y235 HydrophobicContact CG-CE2 3.57Å; E231-Y235 VanDerWaalsContact O-CD2 3.29Å; E231-Y235 WeakPolarHBondContact O-CD2 3.48Å; E231-Y235 PolarHBondContact O-N 3Å; E231-Y235 VanDerWaalsContact O-N 3.12Å; Y235-A237 PolarHBondContact O-N 2.87Å; Y235-A237 VanDerWaalsContact O-N 3.14Å; Y235-L525 HydrophobicContact CD1-CD2 4.35Å; Y235-L525 HydrophobicContact CD2-CD2 4.47Å; Y235-L525 HydrophobicContact CE1-CD1 3.75Å; Y235-L525 HydrophobicContact CE1-CD2 3.66Å; Y235-L525 HydrophobicContact CE1-CG 4.38Å; Y235-L525 HydrophobicContact CE2-CD2 3.77Å; Y235-L525 WeakPolarHBondContact OH-CD2 3.27Å; Y235-L554 HydrophobicContact CD1-CD2 3.52Å; Y235-L554 HydrophobicContact CD2-CD2 4.49Å; Y235-L554 HydrophobicContact CE1-CD2 4.26Å; Y235-L554 HydrophobicContact CG-CD2 3.68Å
236	H	97.3	Very high	97.6	Very high	84 Å²	84	36 Å²	36	39%	0.389	17%	0.166	S	C	.	.			trans	48.5	45.2	173.3	-165.3	-118.8	0	0	0	113.3	I232 Q292	I232-H236 PolarHBondContact O-N 3.06Å; H236-Q292 PolarHBondContact CE1-NE2 3.35Å; H236-Q292 PolarHBondContact ND1-NE2 2.94Å; H236-Q292 PolarHBondContact NE2-NE2 2.95Å
237	A	98.5	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.			trans	-62.4	140.4	-174.9	0	0	0	0	0	111.5	T194 M196 Y235 I239 I240 Y263 L554	T194-A237 WeakPolarHBondContact OG1-CA 3.17Å; M196-A237 HydrophobicContact CB-CB 3.72Å; Y235-A237 PolarHBondContact O-N 2.87Å; Y235-A237 VanDerWaalsContact O-N 3.14Å; A237-I239 VanDerWaalsContact C-N 3.25Å; A237-I239 PolarHBondContact O-N 2.72Å; A237-I240 HydrophobicContact CB-CG1 4.06Å; A237-Y263 VanDerWaalsContact O-CE1 3.27Å; A237-Y263 WeakPolarHBondContact O-CE1 3.25Å; A237-Y263 PolarHBondContact O-OH 3.01Å; A237-L554 HydrophobicContact CB-CD1 3.61Å
238	N	98.5	Very high	97.7	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	13%	0.131	C	C	.	.	S	Bend	trans	-66.9	-29.6	-176.5	-52.6	136.9	0	0	0	112.6	F193 T194 W291 Q292 K295 F296	F193-N238 VanDerWaalsContact CA-OD1 3.31Å; F193-N238 WeakPolarHBondContact CA-OD1 3.47Å; F193-N238 HydrophobicContact CB-CB 4.18Å; F193-N238 WeakPolarHBondContact CB-OD1 3.25Å; T194-N238 PolarHBondContact N-OD1 2.79Å; T194-N238 PolarHBondContact O-N 2.98Å; T194-N238 VanDerWaalsContact O-N 3.09Å; T194-N238 PolarHBondContact OG1-N 2.95Å; T194-N238 PolarHBondContact OG1-OD1 3.37Å; N238-W291 WeakPolarHBondContact O-CA 3.37Å; N238-Q292 PolarHBondContact ND2-OE1 2.88Å; N238-Q292 PolarHBondContact O-N 2.93Å; N238-K295 HydrophobicContact CB-CD 4.07Å; N238-K295 VanDerWaalsContact CG-NZ 3.28Å; N238-K295 WeakPolarHBondContact ND2-CE 3.48Å; N238-K295 PolarHBondContact ND2-NZ 2.76Å; N238-K295 VanDerWaalsContact ND2-NZ 3.13Å; N238-K295 PolarHBondContact OD1-NZ 2.82Å; N238-F296 HydrophobicContact CB-CE2 3.78Å; N238-F296 HydrophobicContact CB-CZ 4.26Å
239	I	98.8	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.9	170.8	-57.2	-179.3	0	0	0	108.9	F193 T194 L195 M196 A237 I289 F290 W291 F296 F337 F351 V353	F193-I239 HydrophobicContact CD2-CD1 4.15Å; F193-I239 HydrophobicContact CD2-CG1 4.49Å; F193-I239 HydrophobicContact CE2-CD1 3.94Å; T194-I239 PolarHBondContact O-N 2.91Å; L195-I239 CarbonylContact C-O 3.56Å; L195-I239 VanDerWaalsContact CA-O 3.31Å; L195-I239 WeakPolarHBondContact CA-O 3.14Å; L195-I239 HydrophobicContact CD1-CB 4.2Å; L195-I239 HydrophobicContact CD1-CG2 4.01Å; L195-I239 HydrophobicContact CG-CB 4.33Å; L195-I239 HydrophobicContact CG-CG2 4.37Å; M196-I239 PolarHBondContact N-O 2.83Å; A237-I239 VanDerWaalsContact C-N 3.25Å; A237-I239 PolarHBondContact O-N 2.72Å; I239-I289 HydrophobicContact CG2-CG2 3.97Å; I239-F290 CarbonylContact C-O 3.57Å; I239-F290 WeakPolarHBondContact CA-O 3.31Å; I239-W291 HydrophobicContact CG1-CB 4.3Å; I239-F296 HydrophobicContact CD1-CD2 4.33Å; I239-F296 HydrophobicContact CD1-CE2 3.9Å; I239-F296 HydrophobicContact CD1-CZ 4Å; I239-F296 HydrophobicContact CG1-CD2 4.08Å; I239-F296 HydrophobicContact CG1-CE2 3.57Å; I239-F296 HydrophobicContact CG1-CZ 4.1Å; I239-F337 HydrophobicContact CD1-CD2 4.2Å; I239-F337 HydrophobicContact CD1-CE2 4.01Å; I239-F351 HydrophobicContact CD1-CE2 3.81Å; I239-F351 HydrophobicContact CD1-CZ 3.81Å; I239-V353 HydrophobicContact CD1-CG2 3.92Å; I239-V353 HydrophobicContact CG2-CG1 4.31Å
240	I	98.9	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.2	-179.6	-54.6	156.2	0	0	0	108.7	M196 I232 A237 L242 L258 Y263 I289 F290	M196-I240 HydrophobicContact CB-CG1 4.41Å; M196-I240 HydrophobicContact CB-CG2 4.29Å; M196-I240 HydrophobicContact CG-CG2 4.36Å; M196-I240 HydrophobicContact SD-CG2 4.08Å; I232-I240 HydrophobicContact CG2-CD1 3.61Å; A237-I240 HydrophobicContact CB-CG1 4.06Å; I240-L242 HydrophobicContact CG2-CD1 4.26Å; I240-L242 HydrophobicContact CG2-CD2 3.53Å; I240-L242 HydrophobicContact CG2-CG 3.82Å; I240-L258 HydrophobicContact CD1-CD1 4.29Å; I240-Y263 HydrophobicContact CD1-CD1 4.15Å; I240-Y263 HydrophobicContact CD1-CE1 3.56Å; I240-Y263 HydrophobicContact CG1-CE1 4.22Å; I240-I289 CarbonylContact O-C 3.55Å; I240-I289 WeakPolarHBondContact O-CA 3.49Å; I240-F290 HydrophobicContact CB-CB 4.22Å; I240-F290 HydrophobicContact CD1-CB 4.46Å; I240-F290 PolarHBondContact N-O 2.68Å; I240-F290 PolarHBondContact O-N 3.19Å
241	C	98.9	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.1	178.1	-61.9	0	0	0	0	109.5	M196 C197 Y198 A288 T355 C428	M196-C241 PolarHBondContact O-N 2.84Å; C197-C241 CarbonylContact C-O 3.59Å; C197-C241 WeakPolarHBondContact CA-O 3.26Å; Y198-C241 PolarHBondContact N-O 2.89Å; C241-A288 CarbonylContact C-O 3.58Å; C241-A288 WeakPolarHBondContact CA-O 3.31Å; C241-T355 HydrophobicContact CB-CG2 3.97Å; C241-C428 VanDerWaalsContact CB-SG 3.55Å; C241-C428 PolarHBondContact SG-SG 2.76Å
242	L	98.8	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.2	-174.1	-55.4	178.9	0	0	0	111.2	Y198 L200 I232 I240 L245 F254 C287 A288 F290	Y198-L242 WeakPolarHBondContact O-CA 3.18Å; L200-L242 HydrophobicContact CD1-CB 4.48Å; L200-L242 HydrophobicContact CD1-CD1 4.14Å; L200-L242 HydrophobicContact CD2-CD2 4.08Å; L200-L242 HydrophobicContact CG-CD2 4.45Å; I232-L242 HydrophobicContact CD1-CD1 4.39Å; I232-L242 HydrophobicContact CD1-CD2 4.49Å; I240-L242 HydrophobicContact CG2-CD1 4.26Å; I240-L242 HydrophobicContact CG2-CD2 3.53Å; I240-L242 HydrophobicContact CG2-CG 3.82Å; L242-L245 HydrophobicContact CD1-CD2 4.43Å; L242-F254 HydrophobicContact CD1-CD1 4Å; L242-F254 HydrophobicContact CD1-CE1 4.13Å; L242-C287 CarbonylContact O-C 3.55Å; L242-C287 VanDerWaalsContact O-CA 3.25Å; L242-C287 WeakPolarHBondContact O-CA 3.35Å; L242-A288 HydrophobicContact CB-CB 4.43Å; L242-A288 PolarHBondContact N-O 3.46Å; L242-A288 PolarHBondContact O-N 2.9Å; L242-F290 HydrophobicContact CD1-CD2 4.09Å; L242-F290 HydrophobicContact CD1-CE2 3.7Å; L242-F290 HydrophobicContact CG-CE2 4.47Å
243	Q	98.8	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	159	169.6	-54.2	75.5	39.7	0	0	109.7	Y198 N199 L200 L245 T355 H357 D430	Y198-Q243 PolarHBondContact O-N 3.36Å; Y198-Q243 VanDerWaalsContact O-N 3.1Å; Y198-Q243 PolarHBondContact O-OE1 2.91Å; N199-Q243 HydrophobicContact CB-CB 4.21Å; L200-Q243 PolarHBondContact N-O 2.89Å; L200-Q243 VanDerWaalsContact N-O 3.1Å; Q243-L245 PolarHBondContact O-N 3.28Å; Q243-T355 PolarHBondContact NE2-OG1 3.07Å; Q243-H357 HydrophobicContact CB-CB 4.21Å; Q243-H357 HydrophobicContact CG-CB 4.13Å; Q243-D430 HydrophobicContact CG-CB 4.4Å
244	E	98.5	Very high	97.9	Very high	20 Å²	20	30.5 Å²	30.5	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	22.9	-178.4	-63.1	-163.6	-162.8	0	0	115.4	N199 L201 S202 Y205 R246 G286 H357	N199-E244 PolarHBondContact ND2-OE1 2.63Å; N199-E244 WeakPolarHBondContact OD1-CB 3.26Å; N199-E244 WeakPolarHBondContact OD1-CG 3.47Å; N199-E244 PolarHBondContact OD1-OE1 3.3Å; L201-E244 WeakPolarHBondContact CA-OE2 3.35Å; S202-E244 WeakPolarHBondContact CB-O 3.26Å; S202-E244 PolarHBondContact N-OE2 3.49Å; Y205-E244 VanDerWaalsContact CD2-OE2 3.27Å; Y205-E244 WeakPolarHBondContact CD2-OE2 3.43Å; E244-R246 PolarHBondContact O-N 3.08Å; E244-G286 PolarHBondContact N-O 2.87Å; E244-G286 VanDerWaalsContact N-O 3.08Å; E244-H357 IonicContact OE1-CE1 3.21Å; E244-H357 PolarHBondContact OE1-CE1 2.74Å; E244-H357 VanDerWaalsContact OE1-CE1 3.28Å
245	L	98.3	Very high	98	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.1	174.3	-179.2	59.1	0	0	0	109.8	L200 L242 Q243 H249 F250 F254 F267 D285 G286 A288 F290	L200-L245 HydrophobicContact CD1-CB 4.33Å; L200-L245 HydrophobicContact CD1-CD1 3.96Å; L242-L245 HydrophobicContact CD1-CD2 4.43Å; Q243-L245 PolarHBondContact O-N 3.28Å; L245-H249 HydrophobicContact CD1-CB 4Å; L245-F250 HydrophobicContact CD2-CB 3.74Å; L245-F250 HydrophobicContact CD2-CD2 3.76Å; L245-F250 HydrophobicContact CD2-CG 4.22Å; L245-F250 HydrophobicContact CG-CB 3.98Å; L245-F254 HydrophobicContact CD1-CD2 3.45Å; L245-F254 VanDerWaalsContact CD1-CD2 3.45Å; L245-F254 HydrophobicContact CD1-CE2 3.55Å; L245-F254 HydrophobicContact CD1-CG 4.03Å; L245-F254 HydrophobicContact CD1-CZ 4.22Å; L245-F254 HydrophobicContact CD2-CB 4.46Å; L245-F254 HydrophobicContact CD2-CG 4.41Å; L245-F267 HydrophobicContact CB-CE2 4.34Å; L245-F267 HydrophobicContact CG-CE2 4.48Å; L245-F267 WeakPolarHBondContact O-CE2 3.44Å; L245-F267 WeakPolarHBondContact O-CZ 3.35Å; L245-D285 CarbonylContact O-C 3.58Å; L245-D285 VanDerWaalsContact O-CA 3.31Å; L245-D285 WeakPolarHBondContact O-CA 3.12Å; L245-G286 PolarHBondContact N-O 3.09Å; L245-G286 PolarHBondContact O-N 3.23Å; L245-A288 HydrophobicContact CD2-CB 3.84Å; L245-F290 HydrophobicContact CD2-CE2 4.29Å; L245-F290 HydrophobicContact CD2-CZ 4.38Å
246	R	97.6	Very high	98.1	Very high	34 Å²	34	26.7 Å²	26.7	13%	0.128	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.9	173.3	-72.2	173.8	49.3	156.2	-17.2	111.9	S202 N204 E244 D248 H249 F250 D285	S202-R246 WeakPolarHBondContact OG-CG 3.31Å; N204-R246 PolarHBondContact OD1-NH1 2.96Å; E244-R246 PolarHBondContact O-N 3.08Å; R246-D248 WeakPolarHBondContact CB-OD1 3.35Å; R246-D248 IonicContact CZ-OD1 2.79Å; R246-D248 IonicContact CZ-OD2 3.26Å; R246-D248 IonicContact NE-OD1 3.16Å; R246-D248 PolarHBondContact NE-OD1 3.1Å; R246-D248 VanDerWaalsContact NE-OD1 3.08Å; R246-D248 IonicContact NE-OD2 3.38Å; R246-D248 IonicContact NH2-OD1 2.93Å; R246-D248 IonicContact NH2-OD2 3.55Å; R246-D248 PolarHBondContact NH2-OD2 3.2Å; R246-D248 PolarHBondContact O-N 2.92Å; R246-H249 HydrophobicContact CB-CB 4.2Å; R246-H249 PolarHBondContact O-N 2.86Å; R246-F250 PolarHBondContact O-N 3.06Å; R246-D285 HydrophobicContact CG-CB 4.5Å
247	T	97.9	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-49.4	-179.2	-59.7	0	0	0	0	112.3	H249 F250 E251 F267 R273 K282 V284	T247-H249 VanDerWaalsContact C-N 3.33Å; T247-H249 PolarHBondContact O-N 3.49Å; T247-F250 WeakPolarHBondContact O-CB 3.36Å; T247-F250 PolarHBondContact O-N 3.28Å; T247-E251 WeakPolarHBondContact CG2-OE1 3.35Å; T247-E251 WeakPolarHBondContact O-CG 3.35Å; T247-E251 PolarHBondContact O-N 3.33Å; T247-F267 HydrophobicContact CG2-CE1 4.08Å; T247-F267 WeakPolarHBondContact OG1-CE1 3.49Å; T247-R273 VanDerWaalsContact CG2-NH1 3.31Å; T247-K282 VanDerWaalsContact CB-O 3.31Å; T247-K282 WeakPolarHBondContact CB-O 3.43Å; T247-K282 PolarHBondContact N-O 2.96Å; T247-V284 PolarHBondContact N-O 2.97Å; T247-V284 PolarHBondContact OG1-O 3.1Å
248	D	97.1	Very high	98.1	Very high	22 Å²	22	25 Å²	25	12%	0.118	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-43.3	176.2	50.9	2.3	0	0	0	112.2	R246 F250 E251 E252 K282	R246-D248 WeakPolarHBondContact CB-OD1 3.35Å; R246-D248 IonicContact CZ-OD1 2.79Å; R246-D248 IonicContact CZ-OD2 3.26Å; R246-D248 IonicContact NE-OD1 3.16Å; R246-D248 PolarHBondContact NE-OD1 3.1Å; R246-D248 VanDerWaalsContact NE-OD1 3.08Å; R246-D248 IonicContact NE-OD2 3.38Å; R246-D248 IonicContact NH2-OD1 2.93Å; R246-D248 IonicContact NH2-OD2 3.55Å; R246-D248 PolarHBondContact NH2-OD2 3.2Å; R246-D248 PolarHBondContact O-N 2.92Å; D248-F250 PolarHBondContact O-N 3.29Å; D248-E251 PolarHBondContact O-N 2.81Å; D248-E252 VanDerWaalsContact O-CB 3.26Å; D248-E252 WeakPolarHBondContact O-CB 3.41Å; D248-E252 WeakPolarHBondContact O-CG 3.19Å; D248-E252 PolarHBondContact O-N 3.32Å; D248-K282 HydrophobicContact CB-CB 4.26Å; D248-K282 PolarHBondContact N-O 2.79Å
249	H	97.6	Very high	98.1	Very high	20 Å²	20	28.7 Å²	28.7	9%	0.093	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-35.6	178.9	-60.7	177.5	0	0	0	112.7	P203 W221 L245 R246 T247 V253 F254	P203-H249 VanDerWaalsContact CG-CE1 3.45Å; P203-H249 WeakPolarHBondContact CG-CE1 3.34Å; W221-H249 AromaticContact CD1-CE1 3.34Å; W221-H249 AromaticContact CD1-NE2 3.56Å; W221-H249 AromaticContact CD2-CE1 3.49Å; W221-H249 VanDerWaalsContact CD2-CE1 3.49Å; W221-H249 AromaticContact CD2-ND1 3.75Å; W221-H249 AromaticContact CE2-CE1 3.13Å; W221-H249 AromaticContact CE2-CG 3.82Å; W221-H249 AromaticContact CE2-ND1 3.1Å; W221-H249 AromaticContact CE2-NE2 3.86Å; W221-H249 AromaticContact CG-CE1 3.6Å; W221-H249 AromaticContact CH2-ND1 3.77Å; W221-H249 HydrophobicContact CZ2-CB 4.02Å; W221-H249 AromaticContact CZ2-CE1 3.7Å; W221-H249 AromaticContact CZ2-CG 3.68Å; W221-H249 AromaticContact CZ2-ND1 3.12Å; W221-H249 WeakPolarHBondContact CZ2-ND1 3.43Å; W221-H249 AromaticContact NE1-CD2 3.75Å; W221-H249 AromaticContact NE1-CE1 3Å; W221-H249 PolarHBondContact NE1-CE1 2.57Å; W221-H249 AromaticContact NE1-CG 3.78Å; W221-H249 AromaticContact NE1-ND1 3.36Å; W221-H249 PolarHBondContact NE1-ND1 3.14Å; W221-H249 AromaticContact NE1-NE2 3.27Å; W221-H249 PolarHBondContact NE1-NE2 3.42Å; L245-H249 HydrophobicContact CD1-CB 4Å; R246-H249 HydrophobicContact CB-CB 4.2Å; R246-H249 PolarHBondContact O-N 2.86Å; T247-H249 VanDerWaalsContact C-N 3.33Å; T247-H249 PolarHBondContact O-N 3.49Å; H249-V253 WeakPolarHBondContact O-CA 3.46Å; H249-V253 VanDerWaalsContact O-CB 3.31Å; H249-V253 WeakPolarHBondContact O-CB 3.47Å; H249-V253 PolarHBondContact O-N 3.02Å; H249-F254 HydrophobicContact CB-CD2 4.46Å; H249-F254 PolarHBondContact O-N 2.69Å
250	F	98.3	Very high	98	Very high	17 Å²	17	35.4 Å²	35.4	8%	0.075	17%	0.167	C	C	.	.	I	π-helix	trans	-59.8	-52.2	171.4	171.8	-103.2	0	0	0	111	L245 R246 T247 D248 K255 A265 F267 A288 F290	L245-F250 HydrophobicContact CD2-CB 3.74Å; L245-F250 HydrophobicContact CD2-CD2 3.76Å; L245-F250 HydrophobicContact CD2-CG 4.22Å; L245-F250 HydrophobicContact CG-CB 3.98Å; R246-F250 PolarHBondContact O-N 3.06Å; T247-F250 WeakPolarHBondContact O-CB 3.36Å; T247-F250 PolarHBondContact O-N 3.28Å; D248-F250 PolarHBondContact O-N 3.29Å; F250-K255 HydrophobicContact CE1-CD 4.15Å; F250-K255 HydrophobicContact CE2-CB 4.3Å; F250-K255 HydrophobicContact CZ-CB 4.36Å; F250-K255 HydrophobicContact CZ-CD 4Å; F250-K255 WeakPolarHBondContact O-CB 3.47Å; F250-K255 PolarHBondContact O-N 3.49Å; F250-A265 HydrophobicContact CE2-CB 3.8Å; F250-A265 HydrophobicContact CZ-CB 4.02Å; F250-F267 HydrophobicContact CB-CD1 4.34Å; F250-F267 HydrophobicContact CB-CD2 4.33Å; F250-F267 HydrophobicContact CB-CG 4.22Å; F250-F267 HydrophobicContact CD1-CB 3.66Å; F250-F267 AromaticContact CD1-CD1 3.78Å; F250-F267 HydrophobicContact CD1-CD1 3.78Å; F250-F267 AromaticContact CD1-CG 3.78Å; F250-F267 HydrophobicContact CD1-CG 3.78Å; F250-F267 HydrophobicContact CD2-CB 3.74Å; F250-F267 HydrophobicContact CD2-CD2 4.3Å; F250-F267 HydrophobicContact CD2-CG 4.04Å; F250-F267 HydrophobicContact CE1-CB 3.49Å; F250-F267 VanDerWaalsContact CE1-CB 3.49Å; F250-F267 HydrophobicContact CE1-CD1 4.3Å; F250-F267 HydrophobicContact CE1-CG 4.14Å; F250-F267 HydrophobicContact CE2-CB 3.58Å; F250-F267 HydrophobicContact CE2-CG 4.38Å; F250-F267 HydrophobicContact CG-CB 3.78Å; F250-F267 HydrophobicContact CG-CD1 4.05Å; F250-F267 HydrophobicContact CG-CD2 4.17Å; F250-F267 AromaticContact CG-CG 3.73Å; F250-F267 HydrophobicContact CG-CG 3.73Å; F250-F267 HydrophobicContact CZ-CB 3.44Å; F250-F267 VanDerWaalsContact CZ-CB 3.44Å; F250-F267 HydrophobicContact CZ-CG 4.43Å; F250-A288 HydrophobicContact CD2-CB 4.37Å; F250-A288 HydrophobicContact CE2-CB 4.48Å; F250-F290 HydrophobicContact CD2-CE1 4.46Å; F250-F290 HydrophobicContact CD2-CE2 4.45Å; F250-F290 AromaticContact CD2-CZ 3.72Å; F250-F290 HydrophobicContact CD2-CZ 3.72Å; F250-F290 HydrophobicContact CE2-CE1 4.06Å; F250-F290 HydrophobicContact CE2-CE2 4.42Å; F250-F290 AromaticContact CE2-CZ 3.66Å; F250-F290 HydrophobicContact CE2-CZ 3.66Å
251	E	97.5	Very high	97.9	Very high	82 Å²	82	38.2 Å²	38.2	38%	0.383	18%	0.182	S	C	.	.	I	π-helix	trans	-69.2	-42.2	-174.2	-69.2	173.8	-177.7	0	0	112.7	T247 D248 P256	T247-E251 WeakPolarHBondContact CG2-OE1 3.35Å; T247-E251 WeakPolarHBondContact O-CG 3.35Å; T247-E251 PolarHBondContact O-N 3.33Å; D248-E251 PolarHBondContact O-N 2.81Å; E251-P256 WeakPolarHBondContact O-CD 3.48Å; E251-P256 WeakPolarHBondContact O-CG 3.27Å
252	E	97.3	Very high	97.8	Very high	125 Å²	125	43.1 Å²	43.1	58%	0.584	21%	0.208	S	C	*	.	I	π-helix	trans	-99.3	-20.8	-168	-59.5	173.7	-169.9	0	0	113.3	D248	D248-E252 VanDerWaalsContact O-CB 3.26Å; D248-E252 WeakPolarHBondContact O-CB 3.41Å; D248-E252 WeakPolarHBondContact O-CG 3.19Å; D248-E252 PolarHBondContact O-N 3.32Å
253	V	97.4	Very high	97.8	Very high	26 Å²	26	43.5 Å²	43.5	16%	0.158	21%	0.209	C	C	.	.	I	π-helix	trans	-122.3	-68.3	-174.1	-174.9	0	0	0	0	112.1	L229 H249 P256 E257	L229-V253 HydrophobicContact CD1-CG1 3.93Å; H249-V253 WeakPolarHBondContact O-CA 3.46Å; H249-V253 VanDerWaalsContact O-CB 3.31Å; H249-V253 WeakPolarHBondContact O-CB 3.47Å; H249-V253 PolarHBondContact O-N 3.02Å; V253-P256 WeakPolarHBondContact O-CD 3.4Å; V253-E257 WeakPolarHBondContact O-CB 3.46Å; V253-E257 VanDerWaalsContact O-CG 3.24Å; V253-E257 WeakPolarHBondContact O-CG 3.41Å; V253-E257 PolarHBondContact O-N 2.89Å
254	F	98.3	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-68.1	-45.7	-168	-78.1	-101.2	0	0	0	112.7	L200 W221 I228 L229 I232 L242 L245 H249 E257 L258 F290	L200-F254 HydrophobicContact CD1-CE1 3.85Å; L200-F254 HydrophobicContact CD1-CE2 4.25Å; L200-F254 HydrophobicContact CD1-CZ 3.56Å; W221-F254 AromaticContact CH2-CE2 3.77Å; W221-F254 HydrophobicContact CH2-CE2 3.77Å; W221-F254 HydrophobicContact CH2-CZ 4.09Å; W221-F254 AromaticContact CZ2-CE2 3.82Å; W221-F254 HydrophobicContact CZ2-CE2 3.82Å; I228-F254 HydrophobicContact CG2-CE1 3.88Å; I228-F254 HydrophobicContact CG2-CZ 3.8Å; L229-F254 HydrophobicContact CD2-CD1 4Å; L229-F254 HydrophobicContact CD2-CE1 4.01Å; I232-F254 HydrophobicContact CD1-CD1 4.28Å; I232-F254 HydrophobicContact CD1-CE1 3.78Å; L242-F254 HydrophobicContact CD1-CD1 4Å; L242-F254 HydrophobicContact CD1-CE1 4.13Å; L245-F254 HydrophobicContact CD1-CD2 3.45Å; L245-F254 VanDerWaalsContact CD1-CD2 3.45Å; L245-F254 HydrophobicContact CD1-CE2 3.55Å; L245-F254 HydrophobicContact CD1-CG 4.03Å; L245-F254 HydrophobicContact CD1-CZ 4.22Å; L245-F254 HydrophobicContact CD2-CB 4.46Å; L245-F254 HydrophobicContact CD2-CG 4.41Å; H249-F254 HydrophobicContact CB-CD2 4.46Å; H249-F254 PolarHBondContact O-N 2.69Å; F254-E257 PolarHBondContact O-N 3.47Å; F254-L258 WeakPolarHBondContact O-CB 3.22Å; F254-L258 WeakPolarHBondContact O-CG 3.07Å; F254-L258 PolarHBondContact O-N 2.95Å; F254-F290 HydrophobicContact CB-CE1 4.34Å; F254-F290 HydrophobicContact CB-CZ 3.78Å
255	K	98.2	Very high	97.8	Very high	71 Å²	71	45.9 Å²	45.9	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-51.6	179.7	179.9	179.1	-176.3	176.5	0	111.9	F250 E257 Q259 F290	F250-K255 HydrophobicContact CE1-CD 4.15Å; F250-K255 HydrophobicContact CE2-CB 4.3Å; F250-K255 HydrophobicContact CZ-CB 4.36Å; F250-K255 HydrophobicContact CZ-CD 4Å; F250-K255 WeakPolarHBondContact O-CB 3.47Å; F250-K255 PolarHBondContact O-N 3.49Å; K255-E257 PolarHBondContact O-N 2.91Å; K255-Q259 HydrophobicContact CG-CG 4.33Å; K255-Q259 VanDerWaalsContact O-CB 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.3Å; K255-Q259 WeakPolarHBondContact O-CG 3.38Å; K255-Q259 PolarHBondContact O-N 2.79Å; K255-F290 HydrophobicContact CB-CE1 4.48Å
256	P	98.3	Very high	97.8	Very high	46 Å²	46	46.3 Å²	46.3	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-40.6	176.2	-25.7	35.2	0	0	0	114.1	E251 V253 K260	E251-P256 WeakPolarHBondContact O-CD 3.48Å; E251-P256 WeakPolarHBondContact O-CG 3.27Å; V253-P256 WeakPolarHBondContact O-CD 3.4Å; P256-K260 WeakPolarHBondContact O-CG 3.39Å
257	E	97.6	Very high	97.8	Very high	47 Å²	47	45.9 Å²	45.9	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-42	-178.5	-72.3	-57.4	127.7	0	0	112.7	L229 R233 V253 F254 K255 K260	L229-E257 HydrophobicContact CD1-CG 4.32Å; L229-E257 HydrophobicContact CD2-CB 4.38Å; R233-E257 IonicContact CZ-OE2 3.67Å; R233-E257 IonicContact NH2-OE2 3.44Å; R233-E257 PolarHBondContact NH2-OE2 2.97Å; V253-E257 WeakPolarHBondContact O-CB 3.46Å; V253-E257 VanDerWaalsContact O-CG 3.24Å; V253-E257 WeakPolarHBondContact O-CG 3.41Å; V253-E257 PolarHBondContact O-N 2.89Å; F254-E257 PolarHBondContact O-N 3.47Å; K255-E257 PolarHBondContact O-N 2.91Å; E257-K260 WeakPolarHBondContact O-CB 3.45Å; E257-K260 PolarHBondContact O-N 2.87Å; E257-K260 IonicContact OE1-NZ 2.79Å; E257-K260 PolarHBondContact OE1-NZ 2.91Å; E257-K260 IonicContact OE2-NZ 3.88Å; E257-K260 PolarHBondContact OE2-NZ 3.43Å
258	L	98	Very high	97.8	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-78.8	-26.3	179.8	-64.5	177.6	0	0	0	112.6	I232 I240 F254 K260 L261 N262 Y263 F290	I232-L258 HydrophobicContact CG2-CD1 4.49Å; I232-L258 HydrophobicContact CG2-CD2 3.75Å; I240-L258 HydrophobicContact CD1-CD1 4.29Å; F254-L258 WeakPolarHBondContact O-CB 3.22Å; F254-L258 WeakPolarHBondContact O-CG 3.07Å; F254-L258 PolarHBondContact O-N 2.95Å; L258-K260 PolarHBondContact O-N 3.26Å; L258-L261 HydrophobicContact CD2-CD1 4.37Å; L258-L261 CarbonylContact O-C 3.48Å; L258-L261 WeakPolarHBondContact O-CA 3.47Å; L258-L261 PolarHBondContact O-N 3.02Å; L258-N262 PolarHBondContact O-N 2.99Å; L258-Y263 HydrophobicContact CB-CD2 4.31Å; L258-Y263 HydrophobicContact CB-CG 4.2Å; L258-Y263 WeakPolarHBondContact O-CB 3.45Å; L258-Y263 WeakPolarHBondContact O-CD2 3.47Å; L258-Y263 PolarHBondContact O-N 3.08Å; L258-Y263 VanDerWaalsContact O-N 3.11Å; L258-F290 HydrophobicContact CB-CD1 4.1Å; L258-F290 HydrophobicContact CB-CE1 4.41Å; L258-F290 HydrophobicContact CD1-CB 4.27Å; L258-F290 HydrophobicContact CD1-CD1 3.44Å; L258-F290 VanDerWaalsContact CD1-CD1 3.44Å; L258-F290 HydrophobicContact CD1-CD2 4.11Å; L258-F290 HydrophobicContact CD1-CE1 3.7Å; L258-F290 HydrophobicContact CD1-CE2 4.33Å; L258-F290 HydrophobicContact CD1-CG 3.68Å; L258-F290 HydrophobicContact CD1-CZ 4.14Å; L258-F290 HydrophobicContact CG-CD1 4.39Å
259	Q	97.8	Very high	97.8	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-33.8	170.9	-82.4	177.4	-26.3	0	0	112.6	K255 L261 N262 Y263	K255-Q259 HydrophobicContact CG-CG 4.33Å; K255-Q259 VanDerWaalsContact O-CB 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.3Å; K255-Q259 WeakPolarHBondContact O-CG 3.38Å; K255-Q259 PolarHBondContact O-N 2.79Å; Q259-L261 PolarHBondContact O-N 3.22Å; Q259-N262 PolarHBondContact O-N 2.79Å; Q259-Y263 WeakPolarHBondContact CG-O 3.46Å
260	K	97.4	Very high	97.8	Very high	141 Å²	141	46 Å²	46	61%	0.613	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.4	173.2	-62.7	167.7	-173.4	173.6	0	112.8	P256 E257 L258	P256-K260 WeakPolarHBondContact O-CG 3.39Å; E257-K260 WeakPolarHBondContact O-CB 3.45Å; E257-K260 PolarHBondContact O-N 2.87Å; E257-K260 IonicContact OE1-NZ 2.79Å; E257-K260 PolarHBondContact OE1-NZ 2.91Å; E257-K260 IonicContact OE2-NZ 3.88Å; E257-K260 PolarHBondContact OE2-NZ 3.43Å; L258-K260 PolarHBondContact O-N 3.26Å
261	L	96.6	Very high	97.5	Very high	60 Å²	60	45.5 Å²	45.5	31%	0.314	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	19.8	177.6	-56.3	177	0	0	0	112.1	R233 L258 Q259 Y263	R233-L261 HydrophobicContact CG-CD1 4.04Å; L258-L261 HydrophobicContact CD2-CD1 4.37Å; L258-L261 CarbonylContact O-C 3.48Å; L258-L261 WeakPolarHBondContact O-CA 3.47Å; L258-L261 PolarHBondContact O-N 3.02Å; Q259-L261 PolarHBondContact O-N 3.22Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 HydrophobicContact CB-CD2 3.77Å; L261-Y263 HydrophobicContact CB-CE2 3.81Å; L261-Y263 WeakPolarHBondContact O-CD2 3.43Å; L261-Y263 PolarHBondContact O-N 2.89Å
262	N	97.3	Very high	97.2	Very high	102 Å²	102	45.2 Å²	45.2	55%	0.545	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	29.1	-179.7	-54.9	-55.8	0	0	0	115.1	L258 Q259 T293	L258-N262 PolarHBondContact O-N 2.99Å; Q259-N262 PolarHBondContact O-N 2.79Å; N262-T293 PolarHBondContact O-N 2.88Å; N262-T293 PolarHBondContact O-OG1 2.88Å
263	Y	98.5	Very high	96.9	Very high	8 Å²	8	42.6 Å²	42.6	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	143.8	169.9	-68.2	-106.4	0	0	0	111.8	A237 I240 L258 Q259 L261 F290 W291 Q292	A237-Y263 VanDerWaalsContact O-CE1 3.27Å; A237-Y263 WeakPolarHBondContact O-CE1 3.25Å; A237-Y263 PolarHBondContact O-OH 3.01Å; I240-Y263 HydrophobicContact CD1-CD1 4.15Å; I240-Y263 HydrophobicContact CD1-CE1 3.56Å; I240-Y263 HydrophobicContact CG1-CE1 4.22Å; L258-Y263 HydrophobicContact CB-CD2 4.31Å; L258-Y263 HydrophobicContact CB-CG 4.2Å; L258-Y263 WeakPolarHBondContact O-CB 3.45Å; L258-Y263 WeakPolarHBondContact O-CD2 3.47Å; L258-Y263 PolarHBondContact O-N 3.08Å; L258-Y263 VanDerWaalsContact O-N 3.11Å; Q259-Y263 WeakPolarHBondContact CG-O 3.46Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 HydrophobicContact CB-CD2 3.77Å; L261-Y263 HydrophobicContact CB-CE2 3.81Å; L261-Y263 WeakPolarHBondContact O-CD2 3.43Å; L261-Y263 PolarHBondContact O-N 2.89Å; Y263-F290 HydrophobicContact CD1-CB 3.92Å; Y263-W291 CarbonylContact C-O 3.47Å; Y263-W291 WeakPolarHBondContact CA-O 3.43Å; Y263-W291 VanDerWaalsContact CD1-C 3.46Å; Y263-Q292 HydrophobicContact CD1-CG 4.11Å; Y263-Q292 HydrophobicContact CD2-CG 4.27Å; Y263-Q292 HydrophobicContact CE1-CG 3.6Å; Y263-Q292 HydrophobicContact CE2-CG 3.78Å; Y263-Q292 HydrophobicContact CG-CG 4.42Å; Y263-Q292 VanDerWaalsContact CZ-CG 3.42Å; Y263-Q292 PolarHBondContact OH-NE2 2.85Å
264	D	98.3	Very high	96.4	Very high	58 Å²	58	47.8 Å²	47.8	31%	0.31	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	167.9	159.1	-168.5	17	0	0	0	109.1	F290 W291 T293	D264-F290 CarbonylContact O-C 3.31Å; D264-F290 VanDerWaalsContact O-CA 3.26Å; D264-F290 WeakPolarHBondContact O-CA 3.34Å; D264-W291 HydrophobicContact CB-CH2 4.32Å; D264-W291 HydrophobicContact CB-CZ2 3.62Å; D264-W291 PolarHBondContact N-O 3.23Å; D264-W291 PolarHBondContact O-N 2.68Å; D264-W291 WeakPolarHBondContact OD2-CZ2 3.41Å; D264-T293 HydrophobicContact CB-CG2 3.46Å; D264-T293 VanDerWaalsContact CB-CG2 3.46Å
265	A	98.5	Very high	96	Very high	13 Å²	13	53.8 Å²	53.8	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	151.6	-168.6	0	0	0	0	0	114.7	F250 I289 F290 W291	F250-A265 HydrophobicContact CE2-CB 3.8Å; F250-A265 HydrophobicContact CZ-CB 4.02Å; A265-I289 CarbonylContact C-O 3.53Å; A265-I289 VanDerWaalsContact CA-O 3.26Å; A265-I289 WeakPolarHBondContact CA-O 3.3Å; A265-F290 HydrophobicContact CB-CD1 3.35Å; A265-F290 HydrophobicContact CB-CE1 3.45Å; A265-F290 VanDerWaalsContact CB-CE1 3.45Å; A265-F290 HydrophobicContact CB-CG 3.98Å; A265-F290 HydrophobicContact CB-CZ 4.16Å; A265-W291 VanDerWaalsContact C-CZ3 3.46Å; A265-W291 VanDerWaalsContact CA-CZ3 3.45Å
266	V	98.3	Very high	95.6	Very high	10 Å²	10	54 Å²	54	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.9	164.2	67.9	0	0	0	0	109.1	A288 I289 W291 V333 V335	V266-A288 CarbonylContact O-C 3.57Å; V266-A288 VanDerWaalsContact O-CA 3.23Å; V266-A288 WeakPolarHBondContact O-CA 3.46Å; V266-I289 HydrophobicContact CG1-CB 3.93Å; V266-I289 HydrophobicContact CG1-CG1 4.49Å; V266-I289 PolarHBondContact N-O 2.97Å; V266-I289 PolarHBondContact O-N 3.1Å; V266-W291 HydrophobicContact CB-CZ3 4.29Å; V266-W291 HydrophobicContact CG1-CZ3 4.18Å; V266-V333 HydrophobicContact CG1-CG2 3.76Å; V266-V333 HydrophobicContact CG2-CG2 3.97Å; V266-V335 HydrophobicContact CB-CG2 4.44Å; V266-V335 HydrophobicContact CG1-CG2 3.48Å; V266-V335 VanDerWaalsContact CG1-CG2 3.48Å
267	F	98.2	Very high	95.3	Very high	24 Å²	24	59.1 Å²	59.1	11%	0.105	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.3	179.9	171.4	-109.1	0	0	0	110.8	L245 T247 F250 P269 C287 A288	L245-F267 HydrophobicContact CB-CE2 4.34Å; L245-F267 HydrophobicContact CG-CE2 4.48Å; L245-F267 WeakPolarHBondContact O-CE2 3.44Å; L245-F267 WeakPolarHBondContact O-CZ 3.35Å; T247-F267 HydrophobicContact CG2-CE1 4.08Å; T247-F267 WeakPolarHBondContact OG1-CE1 3.49Å; F250-F267 HydrophobicContact CB-CD1 4.34Å; F250-F267 HydrophobicContact CB-CD2 4.33Å; F250-F267 HydrophobicContact CB-CG 4.22Å; F250-F267 HydrophobicContact CD1-CB 3.66Å; F250-F267 AromaticContact CD1-CD1 3.78Å; F250-F267 HydrophobicContact CD1-CD1 3.78Å; F250-F267 AromaticContact CD1-CG 3.78Å; F250-F267 HydrophobicContact CD1-CG 3.78Å; F250-F267 HydrophobicContact CD2-CB 3.74Å; F250-F267 HydrophobicContact CD2-CD2 4.3Å; F250-F267 HydrophobicContact CD2-CG 4.04Å; F250-F267 HydrophobicContact CE1-CB 3.49Å; F250-F267 VanDerWaalsContact CE1-CB 3.49Å; F250-F267 HydrophobicContact CE1-CD1 4.3Å; F250-F267 HydrophobicContact CE1-CG 4.14Å; F250-F267 HydrophobicContact CE2-CB 3.58Å; F250-F267 HydrophobicContact CE2-CG 4.38Å; F250-F267 HydrophobicContact CG-CB 3.78Å; F250-F267 HydrophobicContact CG-CD1 4.05Å; F250-F267 HydrophobicContact CG-CD2 4.17Å; F250-F267 AromaticContact CG-CG 3.73Å; F250-F267 HydrophobicContact CG-CG 3.73Å; F250-F267 HydrophobicContact CZ-CB 3.44Å; F250-F267 VanDerWaalsContact CZ-CB 3.44Å; F250-F267 HydrophobicContact CZ-CG 4.43Å; F267-P269 HydrophobicContact CE1-CB 3.91Å; F267-P269 HydrophobicContact CE1-CG 4.27Å; F267-P269 HydrophobicContact CZ-CB 4.04Å; F267-C287 WeakPolarHBondContact CA-O 3.33Å; F267-C287 VanDerWaalsContact CD2-O 3.29Å; F267-C287 WeakPolarHBondContact CD2-O 3.22Å; F267-A288 HydrophobicContact CB-CB 4.42Å; F267-A288 HydrophobicContact CD2-CB 4.02Å
268	L	97.6	Very high	95	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109.8	174.6	-176.4	63.3	0	0	0	109.8	G286 C287 H303 V331 A332 V333	L268-G286 CarbonylContact O-C 3.58Å; L268-G286 WeakPolarHBondContact O-CA 3.45Å; L268-C287 PolarHBondContact N-O 3Å; L268-C287 PolarHBondContact O-N 3.44Å; L268-H303 HydrophobicContact CD1-CB 3.98Å; L268-H303 HydrophobicContact CD2-CB 3.83Å; L268-V331 HydrophobicContact CD2-CB 3.89Å; L268-V331 HydrophobicContact CD2-CG1 4.3Å; L268-V331 HydrophobicContact CD2-CG2 4.47Å; L268-V331 HydrophobicContact CG-CB 4.23Å; L268-V331 HydrophobicContact CG-CG1 4.41Å; L268-V331 HydrophobicContact CG-CG2 4.4Å; L268-A332 WeakPolarHBondContact CD2-O 3.43Å; L268-V333 HydrophobicContact CB-CB 3.99Å; L268-V333 HydrophobicContact CB-CG2 4.34Å; L268-V333 HydrophobicContact CD2-CB 4.42Å
269	P	97.3	Very high	94.7	Very high	20 Å²	20	71 Å²	71	13%	0.13	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	156.4	171.6	32.4	-39.4	0	0	0	111.4	F267 R273 V284	F267-P269 HydrophobicContact CE1-CB 3.91Å; F267-P269 HydrophobicContact CE1-CG 4.27Å; F267-P269 HydrophobicContact CZ-CB 4.04Å; P269-R273 HydrophobicContact CB-CB 4.33Å; P269-R273 HydrophobicContact CG-CB 4.42Å; P269-R273 HydrophobicContact CG-CG 4.5Å; P269-V284 HydrophobicContact CB-CG1 4.25Å
270	K	96.3	Very high	94.5	Very high	12 Å²	12	70.1 Å²	70.1	5%	0.052	34%	0.336	C	S	.	.			trans	-56.6	148.6	171.4	-76.7	174.2	176.5	162.8	0	112.3	R272 R273 V284 D285 V331	K270-R272 HydrophobicContact CB-CG 4.42Å; K270-R272 PolarHBondContact O-N 3.1Å; K270-R273 WeakPolarHBondContact O-CB 3.49Å; K270-R273 PolarHBondContact O-N 3.07Å; K270-R273 VanDerWaalsContact O-N 3.07Å; K270-V284 HydrophobicContact CB-CG1 3.87Å; K270-D285 WeakPolarHBondContact CB-O 3.26Å; K270-D285 WeakPolarHBondContact CE-OD2 3.27Å; K270-D285 WeakPolarHBondContact CG-O 3.44Å; K270-D285 PolarHBondContact N-O 3.29Å; K270-D285 IonicContact NZ-OD2 2.62Å; K270-D285 PolarHBondContact NZ-OD2 3.03Å; K270-V331 HydrophobicContact CG-CG2 4.23Å
271	S	92.1	Very high	94.3	Very high	8 Å²	8	63.6 Å²	63.6	6%	0.056	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.5	-168.2	-46.7	0	0	0	0	113.4	R273 R274 E305 D329	S271-R273 PolarHBondContact O-N 3.05Å; S271-R274 WeakPolarHBondContact O-CB 3.31Å; S271-R274 WeakPolarHBondContact O-CG 3.43Å; S271-R274 PolarHBondContact O-N 3.42Å; S271-R274 VanDerWaalsContact O-N 3.1Å; S271-E305 WeakPolarHBondContact CB-OE2 3.14Å; S271-E305 WeakPolarHBondContact OG-CB 3.39Å; S271-E305 WeakPolarHBondContact OG-CG 3.08Å; S271-E305 PolarHBondContact OG-OE2 3.18Å; S271-D329 PolarHBondContact N-O 2.89Å; S271-D329 PolarHBondContact OG-O 2.74Å
272	R	91.7	Very high	94.2	Very high	76 Å²	76	64.7 Å²	64.7	29%	0.287	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-55.5	-23.9	177.4	65.6	174.8	168.5	-126	12.6	114	Y205 K270 R274 T275 M276 V284 D285 D329	Y205-R272 PolarHBondContact OH-NH2 3.46Å; K270-R272 HydrophobicContact CB-CG 4.42Å; K270-R272 PolarHBondContact O-N 3.1Å; R272-R274 PolarHBondContact O-N 2.96Å; R272-T275 PolarHBondContact O-N 3.18Å; R272-T275 VanDerWaalsContact O-N 3.09Å; R272-T275 PolarHBondContact O-OG1 3.27Å; R272-T275 VanDerWaalsContact O-OG1 3.13Å; R272-M276 HydrophobicContact CB-SD 4.48Å; R272-M276 HydrophobicContact CG-SD 4.11Å; R272-M276 WeakPolarHBondContact O-CG 3.39Å; R272-V284 HydrophobicContact CG-CG1 3.97Å; R272-V284 HydrophobicContact CG-CG2 4.19Å; R272-D285 IonicContact CZ-OD1 2.76Å; R272-D285 IonicContact NH2-OD1 2.75Å; R272-D285 PolarHBondContact NH2-OD1 2.79Å; R272-D329 HydrophobicContact CB-CB 4.32Å; R272-D329 WeakPolarHBondContact CB-OD2 3.43Å; R272-D329 WeakPolarHBondContact CD-OD2 3.27Å; R272-D329 WeakPolarHBondContact CG-OD2 3.17Å; R272-D329 IonicContact CZ-OD2 2.73Å; R272-D329 IonicContact NE-OD2 2.82Å; R272-D329 IonicContact NH1-OD1 3.79Å; R272-D329 IonicContact NH1-OD2 2.88Å; R272-D329 PolarHBondContact NH1-OD2 3.23Å
273	R	90.5	Very high	94.2	Very high	70 Å²	70	63.3 Å²	63.3	26%	0.264	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-51.9	-32.4	176.3	-169.6	-175.1	172.1	176.6	-3	112.1	T247 P269 K270 S271 T275 M276 V284	T247-R273 VanDerWaalsContact CG2-NH1 3.31Å; P269-R273 HydrophobicContact CB-CB 4.33Å; P269-R273 HydrophobicContact CG-CB 4.42Å; P269-R273 HydrophobicContact CG-CG 4.5Å; K270-R273 WeakPolarHBondContact O-CB 3.49Å; K270-R273 PolarHBondContact O-N 3.07Å; K270-R273 VanDerWaalsContact O-N 3.07Å; S271-R273 PolarHBondContact O-N 3.05Å; R273-T275 VanDerWaalsContact C-N 3.27Å; R273-T275 PolarHBondContact O-N 2.95Å; R273-M276 PolarHBondContact O-N 2.95Å; R273-V284 HydrophobicContact CB-CB 4.24Å; R273-V284 HydrophobicContact CB-CG1 4.16Å; R273-V284 HydrophobicContact CB-CG2 4.19Å; R273-V284 HydrophobicContact CG-CG2 4.48Å
274	R	87.3	Confident	94.1	Very high	134 Å²	134	63 Å²	63	51%	0.506	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63.5	-26.9	-178.1	-66.6	175.8	174.4	-117	5.7	114.3	S271 R272 E305	S271-R274 WeakPolarHBondContact O-CB 3.31Å; S271-R274 WeakPolarHBondContact O-CG 3.43Å; S271-R274 PolarHBondContact O-N 3.42Å; S271-R274 VanDerWaalsContact O-N 3.1Å; R272-R274 PolarHBondContact O-N 2.96Å; R274-E305 IonicContact CZ-OE1 3.14Å; R274-E305 IonicContact CZ-OE2 3.51Å; R274-E305 IonicContact NE-OE1 3.52Å; R274-E305 IonicContact NE-OE2 3.53Å; R274-E305 PolarHBondContact NE-OE2 3.01Å; R274-E305 IonicContact NH2-OE1 2.66Å; R274-E305 PolarHBondContact NH2-OE1 2.76Å; R274-E305 IonicContact NH2-OE2 2.65Å; R274-E305 PolarHBondContact NH2-OE2 3.48Å
275	T	89.5	Confident	94.1	Very high	127 Å²	127	60.2 Å²	60.2	78%	0.779	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-108.4	1.7	-174.7	56.5	0	0	0	0	113.2	R272 R273	R272-T275 PolarHBondContact O-N 3.18Å; R272-T275 VanDerWaalsContact O-N 3.09Å; R272-T275 PolarHBondContact O-OG1 3.27Å; R272-T275 VanDerWaalsContact O-OG1 3.13Å; R273-T275 VanDerWaalsContact C-N 3.27Å; R273-T275 PolarHBondContact O-N 2.95Å
276	M	90.2	Very high	94.1	Very high	74 Å²	74	59.7 Å²	59.7	37%	0.365	28%	0.28	S	S	.	.	S	Bend	trans	-97.7	154.6	-177.5	-67.2	177.6	76	0	0	111.9	R272 R273 E280 V284	R272-M276 HydrophobicContact CB-SD 4.48Å; R272-M276 HydrophobicContact CG-SD 4.11Å; R272-M276 WeakPolarHBondContact O-CG 3.39Å; R273-M276 PolarHBondContact O-N 2.95Å; M276-E280 HydrophobicContact CE-CB 3.68Å; M276-V284 HydrophobicContact CE-CG2 4.2Å; M276-V284 HydrophobicContact SD-CG2 3.45Å; M276-V284 WeakPolarHBondContact SD-CG2 3.38Å
277	E	93	Very high	94.1	Very high	154 Å²	154	59.2 Å²	59.2	72%	0.72	28%	0.277	S	S	*	.			trans	-61	147.3	168.5	-65.4	-168.9	163.9	0	0	111.4	K279 E280 S281	E277-K279 PolarHBondContact O-N 2.89Å; E277-K279 VanDerWaalsContact O-N 3.07Å; E277-E280 PolarHBondContact O-N 2.97Å; E277-E280 VanDerWaalsContact O-N 3.09Å; E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 3.11Å
278	L	90.6	Very high	94.1	Very high	138 Å²	138	58.1 Å²	58.1	72%	0.723	27%	0.272	S	S	*	.	H	α-helix	trans	-52.1	-40.4	-172.1	-172.8	67.2	0	0	0	113.4	S281 K282	L278-S281 WeakPolarHBondContact O-CB 3.34Å; L278-S281 PolarHBondContact O-N 3.06Å; L278-S281 PolarHBondContact O-OG 2.88Å; L278-K282 PolarHBondContact O-N 3.44Å
279	K	91.7	Very high	94.2	Very high	161 Å²	161	57.5 Å²	57.5	70%	0.7	27%	0.269	S	S	*	.	H	α-helix	trans	-66.1	-46.8	-179.4	-173.9	-178.7	179.2	-176.3	0	112.4	E277 S281	E277-K279 PolarHBondContact O-N 2.89Å; E277-K279 VanDerWaalsContact O-N 3.07Å; K279-S281 VanDerWaalsContact C-N 3.34Å
280	E	93.1	Very high	94.3	Very high	70 Å²	70	56.6 Å²	56.6	33%	0.327	26%	0.263	S	S	.	.	H	α-helix	trans	-75.1	-28.4	178.7	-64	-58	127.2	0	0	111.4	M276 E277 K282 K283	M276-E280 HydrophobicContact CE-CB 3.68Å; E277-E280 PolarHBondContact O-N 2.97Å; E277-E280 VanDerWaalsContact O-N 3.09Å; E280-K282 PolarHBondContact O-N 3.27Å; E280-K283 WeakPolarHBondContact O-CB 3.4Å; E280-K283 PolarHBondContact O-N 3.05Å; E280-K283 IonicContact OE1-NZ 3.3Å; E280-K283 PolarHBondContact OE1-NZ 3.07Å; E280-K283 WeakPolarHBondContact OE2-CD 3.42Å; E280-K283 IonicContact OE2-NZ 3.48Å; E280-K283 PolarHBondContact OE2-NZ 3Å
281	S	94	Very high	94.4	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-30.1	175.1	91.5	0	0	0	0	112.6	E277 L278 K279 K283 V284	E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 3.11Å; L278-S281 WeakPolarHBondContact O-CB 3.34Å; L278-S281 PolarHBondContact O-N 3.06Å; L278-S281 PolarHBondContact O-OG 2.88Å; K279-S281 VanDerWaalsContact C-N 3.34Å; S281-K283 VanDerWaalsContact C-N 3.27Å; S281-K283 PolarHBondContact O-N 2.94Å; S281-V284 WeakPolarHBondContact O-CB 3.41Å; S281-V284 WeakPolarHBondContact O-CG2 3.45Å; S281-V284 PolarHBondContact O-N 3.46Å
282	K	95	Very high	94.7	Very high	82 Å²	82	56.2 Å²	56.2	36%	0.357	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	175.8	-71.7	-170.2	170.7	-159.1	0	113.7	T247 D248 L278 E280 V284	T247-K282 VanDerWaalsContact CB-O 3.31Å; T247-K282 WeakPolarHBondContact CB-O 3.43Å; T247-K282 PolarHBondContact N-O 2.96Å; D248-K282 HydrophobicContact CB-CB 4.26Å; D248-K282 PolarHBondContact N-O 2.79Å; L278-K282 PolarHBondContact O-N 3.44Å; E280-K282 PolarHBondContact O-N 3.27Å; K282-V284 VanDerWaalsContact C-N 3.29Å
283	K	96.1	Very high	94.9	Very high	73 Å²	73	54.9 Å²	54.9	32%	0.317	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	176.5	-53.8	-176	-169.9	154.1	0	112.3	N204 E280 S281 D285	N204-K283 PolarHBondContact ND2-O 3.44Å; E280-K283 WeakPolarHBondContact O-CB 3.4Å; E280-K283 PolarHBondContact O-N 3.05Å; E280-K283 IonicContact OE1-NZ 3.3Å; E280-K283 PolarHBondContact OE1-NZ 3.07Å; E280-K283 WeakPolarHBondContact OE2-CD 3.42Å; E280-K283 IonicContact OE2-NZ 3.48Å; E280-K283 PolarHBondContact OE2-NZ 3Å; S281-K283 VanDerWaalsContact C-N 3.27Å; S281-K283 PolarHBondContact O-N 2.94Å; K283-D285 PolarHBondContact O-N 3.12Å
284	V	97.2	Very high	95.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	27%	0.273	C	S	.	.			trans	-70.7	127	178.7	180	0	0	0	0	109.4	T247 P269 K270 R272 R273 M276 S281 K282	T247-V284 PolarHBondContact N-O 2.97Å; T247-V284 PolarHBondContact OG1-O 3.1Å; P269-V284 HydrophobicContact CB-CG1 4.25Å; K270-V284 HydrophobicContact CB-CG1 3.87Å; R272-V284 HydrophobicContact CG-CG1 3.97Å; R272-V284 HydrophobicContact CG-CG2 4.19Å; R273-V284 HydrophobicContact CB-CB 4.24Å; R273-V284 HydrophobicContact CB-CG1 4.16Å; R273-V284 HydrophobicContact CB-CG2 4.19Å; R273-V284 HydrophobicContact CG-CG2 4.48Å; M276-V284 HydrophobicContact CE-CG2 4.2Å; M276-V284 HydrophobicContact SD-CG2 3.45Å; M276-V284 WeakPolarHBondContact SD-CG2 3.38Å; S281-V284 WeakPolarHBondContact O-CB 3.41Å; S281-V284 WeakPolarHBondContact O-CG2 3.45Å; S281-V284 PolarHBondContact O-N 3.46Å; K282-V284 VanDerWaalsContact C-N 3.29Å
285	D	97.9	Very high	95.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	160.8	174.2	60.5	-59.8	0	0	0	112.5	Y205 L245 R246 K270 R272 K283	Y205-D285 PolarHBondContact OH-OD1 2.92Å; Y205-D285 PolarHBondContact OH-OD2 2.86Å; L245-D285 CarbonylContact O-C 3.58Å; L245-D285 VanDerWaalsContact O-CA 3.31Å; L245-D285 WeakPolarHBondContact O-CA 3.12Å; R246-D285 HydrophobicContact CG-CB 4.5Å; K270-D285 WeakPolarHBondContact CB-O 3.26Å; K270-D285 WeakPolarHBondContact CE-OD2 3.27Å; K270-D285 WeakPolarHBondContact CG-O 3.44Å; K270-D285 PolarHBondContact N-O 3.29Å; K270-D285 IonicContact NZ-OD2 2.62Å; K270-D285 PolarHBondContact NZ-OD2 3.03Å; R272-D285 IonicContact CZ-OD1 2.76Å; R272-D285 IonicContact NH2-OD1 2.75Å; R272-D285 PolarHBondContact NH2-OD1 2.79Å; K283-D285 PolarHBondContact O-N 3.12Å
286	G	98.2	Very high	95.8	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-161.8	-177.2	0	0	0	0	0	113.3	E244 L245 L268	E244-G286 PolarHBondContact N-O 2.87Å; E244-G286 VanDerWaalsContact N-O 3.08Å; L245-G286 PolarHBondContact N-O 3.09Å; L245-G286 PolarHBondContact O-N 3.23Å; L268-G286 CarbonylContact O-C 3.58Å; L268-G286 WeakPolarHBondContact O-CA 3.45Å
287	C	98.7	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.8	178.6	-66.3	0	0	0	0	110.7	L242 F267 L268 V333 T355	L242-C287 CarbonylContact O-C 3.55Å; L242-C287 VanDerWaalsContact O-CA 3.25Å; L242-C287 WeakPolarHBondContact O-CA 3.35Å; F267-C287 WeakPolarHBondContact CA-O 3.33Å; F267-C287 VanDerWaalsContact CD2-O 3.29Å; F267-C287 WeakPolarHBondContact CD2-O 3.22Å; L268-C287 PolarHBondContact N-O 3Å; L268-C287 PolarHBondContact O-N 3.44Å; C287-V333 HydrophobicContact CB-CG1 3.81Å; C287-T355 HydrophobicContact CB-CG2 4.18Å
288	A	98.7	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.5	176.1	0	0	0	0	0	111.8	C241 L242 L245 F250 V266 F267 F290	C241-A288 CarbonylContact C-O 3.58Å; C241-A288 WeakPolarHBondContact CA-O 3.31Å; L242-A288 HydrophobicContact CB-CB 4.43Å; L242-A288 PolarHBondContact N-O 3.46Å; L242-A288 PolarHBondContact O-N 2.9Å; L245-A288 HydrophobicContact CD2-CB 3.84Å; F250-A288 HydrophobicContact CD2-CB 4.37Å; F250-A288 HydrophobicContact CE2-CB 4.48Å; V266-A288 CarbonylContact O-C 3.57Å; V266-A288 VanDerWaalsContact O-CA 3.23Å; V266-A288 WeakPolarHBondContact O-CA 3.46Å; F267-A288 HydrophobicContact CB-CB 4.42Å; F267-A288 HydrophobicContact CD2-CB 4.02Å; A288-F290 HydrophobicContact CB-CD2 4.23Å; A288-F290 HydrophobicContact CB-CE2 3.61Å; A288-F290 HydrophobicContact CB-CZ 4.39Å
289	I	98.8	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.3	167.3	-57.7	172.3	0	0	0	107.3	I239 I240 A265 V266 W291 V333 V335 F337 V353 T355	I239-I289 HydrophobicContact CG2-CG2 3.97Å; I240-I289 CarbonylContact O-C 3.55Å; I240-I289 WeakPolarHBondContact O-CA 3.49Å; A265-I289 CarbonylContact C-O 3.53Å; A265-I289 VanDerWaalsContact CA-O 3.26Å; A265-I289 WeakPolarHBondContact CA-O 3.3Å; V266-I289 HydrophobicContact CG1-CB 3.93Å; V266-I289 HydrophobicContact CG1-CG1 4.49Å; V266-I289 PolarHBondContact N-O 2.97Å; V266-I289 PolarHBondContact O-N 3.1Å; I289-W291 HydrophobicContact CG2-CE3 4.28Å; I289-W291 WeakPolarHBondContact O-CZ3 3.15Å; I289-V333 HydrophobicContact CD1-CG1 4.11Å; I289-V333 HydrophobicContact CG1-CG1 4.08Å; I289-V335 HydrophobicContact CD1-CG2 4.19Å; I289-F337 HydrophobicContact CG2-CZ 4.31Å; I289-V353 HydrophobicContact CD1-CG1 4.45Å; I289-T355 HydrophobicContact CD1-CG2 4.07Å; I289-T355 HydrophobicContact CG1-CG2 3.61Å
290	F	98.8	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.3	170.1	-60.5	-102	0	0	0	109.4	I239 I240 L242 L245 F250 F254 K255 L258 Y263 D264 A265 A288	I239-F290 CarbonylContact C-O 3.57Å; I239-F290 WeakPolarHBondContact CA-O 3.31Å; I240-F290 HydrophobicContact CB-CB 4.22Å; I240-F290 HydrophobicContact CD1-CB 4.46Å; I240-F290 PolarHBondContact N-O 2.68Å; I240-F290 PolarHBondContact O-N 3.19Å; L242-F290 HydrophobicContact CD1-CD2 4.09Å; L242-F290 HydrophobicContact CD1-CE2 3.7Å; L242-F290 HydrophobicContact CG-CE2 4.47Å; L245-F290 HydrophobicContact CD2-CE2 4.29Å; L245-F290 HydrophobicContact CD2-CZ 4.38Å; F250-F290 HydrophobicContact CD2-CE1 4.46Å; F250-F290 HydrophobicContact CD2-CE2 4.45Å; F250-F290 AromaticContact CD2-CZ 3.72Å; F250-F290 HydrophobicContact CD2-CZ 3.72Å; F250-F290 HydrophobicContact CE2-CE1 4.06Å; F250-F290 HydrophobicContact CE2-CE2 4.42Å; F250-F290 AromaticContact CE2-CZ 3.66Å; F250-F290 HydrophobicContact CE2-CZ 3.66Å; F254-F290 HydrophobicContact CB-CE1 4.34Å; F254-F290 HydrophobicContact CB-CZ 3.78Å; K255-F290 HydrophobicContact CB-CE1 4.48Å; L258-F290 HydrophobicContact CB-CD1 4.1Å; L258-F290 HydrophobicContact CB-CE1 4.41Å; L258-F290 HydrophobicContact CD1-CB 4.27Å; L258-F290 HydrophobicContact CD1-CD1 3.44Å; L258-F290 VanDerWaalsContact CD1-CD1 3.44Å; L258-F290 HydrophobicContact CD1-CD2 4.11Å; L258-F290 HydrophobicContact CD1-CE1 3.7Å; L258-F290 HydrophobicContact CD1-CE2 4.33Å; L258-F290 HydrophobicContact CD1-CG 3.68Å; L258-F290 HydrophobicContact CD1-CZ 4.14Å; L258-F290 HydrophobicContact CG-CD1 4.39Å; Y263-F290 HydrophobicContact CD1-CB 3.92Å; D264-F290 CarbonylContact O-C 3.31Å; D264-F290 VanDerWaalsContact O-CA 3.26Å; D264-F290 WeakPolarHBondContact O-CA 3.34Å; A265-F290 HydrophobicContact CB-CD1 3.35Å; A265-F290 HydrophobicContact CB-CE1 3.45Å; A265-F290 VanDerWaalsContact CB-CE1 3.45Å; A265-F290 HydrophobicContact CB-CG 3.98Å; A265-F290 HydrophobicContact CB-CZ 4.16Å; A288-F290 HydrophobicContact CB-CD2 4.23Å; A288-F290 HydrophobicContact CB-CE2 3.61Å; A288-F290 HydrophobicContact CB-CZ 4.39Å
291	W	98.7	Very high	96.5	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.4	177	64	92.8	0	0	0	111.8	N238 I239 Y263 D264 A265 V266 I289 T293 F296 K298 V335 F337	N238-W291 WeakPolarHBondContact O-CA 3.37Å; I239-W291 HydrophobicContact CG1-CB 4.3Å; Y263-W291 CarbonylContact C-O 3.47Å; Y263-W291 WeakPolarHBondContact CA-O 3.43Å; Y263-W291 VanDerWaalsContact CD1-C 3.46Å; D264-W291 HydrophobicContact CB-CH2 4.32Å; D264-W291 HydrophobicContact CB-CZ2 3.62Å; D264-W291 PolarHBondContact N-O 3.23Å; D264-W291 PolarHBondContact O-N 2.68Å; D264-W291 WeakPolarHBondContact OD2-CZ2 3.41Å; A265-W291 VanDerWaalsContact C-CZ3 3.46Å; A265-W291 VanDerWaalsContact CA-CZ3 3.45Å; V266-W291 HydrophobicContact CB-CZ3 4.29Å; V266-W291 HydrophobicContact CG1-CZ3 4.18Å; I289-W291 HydrophobicContact CG2-CE3 4.28Å; I289-W291 WeakPolarHBondContact O-CZ3 3.15Å; W291-T293 PolarHBondContact O-N 3.42Å; W291-F296 HydrophobicContact CB-CD2 4.22Å; W291-K298 HydrophobicContact CH2-CD 3.98Å; W291-K298 HydrophobicContact CZ2-CB 3.96Å; W291-K298 HydrophobicContact CZ2-CD 4.04Å; W291-K298 HydrophobicContact CZ2-CG 4.48Å; W291-V335 HydrophobicContact CZ3-CG2 4.31Å; W291-F337 HydrophobicContact CB-CE1 3.92Å; W291-F337 HydrophobicContact CB-CZ 3.85Å; W291-F337 AromaticContact CD1-CE1 3.76Å; W291-F337 AromaticContact CD2-CE1 3.42Å; W291-F337 HydrophobicContact CD2-CE1 3.42Å; W291-F337 VanDerWaalsContact CD2-CE1 3.42Å; W291-F337 AromaticContact CD2-CZ 3.73Å; W291-F337 HydrophobicContact CD2-CZ 3.73Å; W291-F337 AromaticContact CE2-CE1 3.83Å; W291-F337 AromaticContact CE3-CE1 3.86Å; W291-F337 HydrophobicContact CE3-CE1 3.86Å; W291-F337 AromaticContact CE3-CZ 3.75Å; W291-F337 HydrophobicContact CE3-CZ 3.75Å; W291-F337 HydrophobicContact CG-CD1 4.4Å; W291-F337 AromaticContact CG-CE1 3.41Å; W291-F337 HydrophobicContact CG-CE1 3.41Å; W291-F337 VanDerWaalsContact CG-CE1 3.41Å; W291-F337 AromaticContact CG-CZ 3.76Å; W291-F337 HydrophobicContact CG-CZ 3.76Å; W291-F337 AromaticContact NE1-CE1 3.98Å
292	Q	98.3	Very high	96.4	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.033	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	116	174.9	-76.3	-176.9	-12.8	0	0	111.6	H236 N238 Y263 N294 K295 F296	H236-Q292 PolarHBondContact CE1-NE2 3.35Å; H236-Q292 PolarHBondContact ND1-NE2 2.94Å; H236-Q292 PolarHBondContact NE2-NE2 2.95Å; N238-Q292 PolarHBondContact ND2-OE1 2.88Å; N238-Q292 PolarHBondContact O-N 2.93Å; Y263-Q292 HydrophobicContact CD1-CG 4.11Å; Y263-Q292 HydrophobicContact CD2-CG 4.27Å; Y263-Q292 HydrophobicContact CE1-CG 3.6Å; Y263-Q292 HydrophobicContact CE2-CG 3.78Å; Y263-Q292 HydrophobicContact CG-CG 4.42Å; Y263-Q292 VanDerWaalsContact CZ-CG 3.42Å; Y263-Q292 PolarHBondContact OH-NE2 2.85Å; Q292-N294 WeakPolarHBondContact CB-OD1 3.44Å; Q292-N294 PolarHBondContact O-N 2.98Å; Q292-K295 HydrophobicContact CB-CB 4.45Å; Q292-K295 PolarHBondContact O-N 2.72Å; Q292-F296 PolarHBondContact O-N 2.86Å
293	T	96.8	Very high	96.4	Very high	49 Å²	49	32.7 Å²	32.7	30%	0.301	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.6	-174.7	61.1	0	0	0	0	113.9	N262 D264 W291 K340	N262-T293 PolarHBondContact O-N 2.88Å; N262-T293 PolarHBondContact O-OG1 2.88Å; D264-T293 HydrophobicContact CB-CG2 3.46Å; D264-T293 VanDerWaalsContact CB-CG2 3.46Å; W291-T293 PolarHBondContact O-N 3.42Å; T293-K340 VanDerWaalsContact O-CE 3.26Å; T293-K340 WeakPolarHBondContact O-CE 3.45Å; T293-K340 PolarHBondContact O-NZ 2.98Å
294	N	94.6	Very high	96.2	Very high	97 Å²	97	29.4 Å²	29.4	52%	0.519	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.9	172.2	63.1	-43.8	0	0	0	113.1	Q292 K340	Q292-N294 WeakPolarHBondContact CB-OD1 3.44Å; Q292-N294 PolarHBondContact O-N 2.98Å; N294-K340 WeakPolarHBondContact O-CD 3.27Å
295	K	95.1	Very high	96	Very high	61 Å²	61	30.1 Å²	30.1	27%	0.265	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-33.3	177	-72.3	-164.9	174.4	-163.8	0	113.6	N238 Q292 K340	N238-K295 HydrophobicContact CB-CD 4.07Å; N238-K295 VanDerWaalsContact CG-NZ 3.28Å; N238-K295 WeakPolarHBondContact ND2-CE 3.48Å; N238-K295 PolarHBondContact ND2-NZ 2.76Å; N238-K295 VanDerWaalsContact ND2-NZ 3.13Å; N238-K295 PolarHBondContact OD1-NZ 2.82Å; Q292-K295 HydrophobicContact CB-CB 4.45Å; Q292-K295 PolarHBondContact O-N 2.72Å; K295-K340 PolarHBondContact O-N 2.75Å
296	F	96.9	Very high	95.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.5	-172.3	-50.5	-70.8	0	0	0	112.4	F191 F193 N238 I239 W291 Q292 F337 E338 T339 F351	F191-F296 AromaticContact CE1-CE1 3.6Å; F191-F296 HydrophobicContact CE1-CE1 3.6Å; F191-F296 HydrophobicContact CE1-CZ 4.03Å; F191-F296 HydrophobicContact CZ-CE1 4.21Å; F193-F296 HydrophobicContact CB-CZ 3.82Å; F193-F296 HydrophobicContact CD2-CZ 4Å; F193-F296 HydrophobicContact CG-CE1 4.47Å; F193-F296 AromaticContact CG-CZ 3.88Å; F193-F296 HydrophobicContact CG-CZ 3.88Å; N238-F296 HydrophobicContact CB-CE2 3.78Å; N238-F296 HydrophobicContact CB-CZ 4.26Å; I239-F296 HydrophobicContact CD1-CD2 4.33Å; I239-F296 HydrophobicContact CD1-CE2 3.9Å; I239-F296 HydrophobicContact CD1-CZ 4Å; I239-F296 HydrophobicContact CG1-CD2 4.08Å; I239-F296 HydrophobicContact CG1-CE2 3.57Å; I239-F296 HydrophobicContact CG1-CZ 4.1Å; W291-F296 HydrophobicContact CB-CD2 4.22Å; Q292-F296 PolarHBondContact O-N 2.86Å; F296-F337 HydrophobicContact CB-CB 4.42Å; F296-F337 HydrophobicContact CB-CD1 3.88Å; F296-F337 HydrophobicContact CB-CE1 4.46Å; F296-F337 HydrophobicContact CB-CG 4.28Å; F296-E338 WeakPolarHBondContact CA-O 3.3Å; F296-T339 HydrophobicContact CD1-CG2 4.44Å; F296-T339 HydrophobicContact CE1-CG2 4.34Å; F296-F351 AromaticContact CD1-CE1 3.75Å; F296-F351 HydrophobicContact CD1-CE1 3.75Å; F296-F351 AromaticContact CD1-CZ 3.74Å; F296-F351 HydrophobicContact CD1-CZ 3.74Å; F296-F351 AromaticContact CE1-CE1 3.75Å; F296-F351 HydrophobicContact CE1-CE1 3.75Å; F296-F351 AromaticContact CE1-CZ 3.52Å; F296-F351 HydrophobicContact CE1-CZ 3.52Å; F296-F351 HydrophobicContact CZ-CZ 4.24Å
297	E	95.3	Very high	95.3	Very high	103 Å²	103	32.8 Å²	32.8	48%	0.481	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.1	166.8	-178.2	168.3	179.5	0	0	109.5	L299 F337 E338	E297-L299 HydrophobicContact CG-CD2 4.47Å; E297-L299 PolarHBondContact O-N 3.39Å; E297-F337 CarbonylContact O-C 3.59Å; E297-F337 VanDerWaalsContact O-CA 3.26Å; E297-F337 WeakPolarHBondContact O-CA 3.34Å; E297-E338 HydrophobicContact CB-CB 4.48Å; E297-E338 PolarHBondContact N-O 2.58Å; E297-E338 PolarHBondContact O-N 2.68Å
298	K	96.3	Very high	94.6	Very high	81 Å²	81	34.9 Å²	34.9	35%	0.352	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.3	174.1	177.6	179.8	82.8	170.7	0	109.3	W291 E301 V335	W291-K298 HydrophobicContact CH2-CD 3.98Å; W291-K298 HydrophobicContact CZ2-CB 3.96Å; W291-K298 HydrophobicContact CZ2-CD 4.04Å; W291-K298 HydrophobicContact CZ2-CG 4.48Å; K298-E301 IonicContact NZ-OE2 3.46Å; K298-E301 PolarHBondContact NZ-OE2 3.37Å; K298-V335 HydrophobicContact CB-CG1 4.34Å; K298-V335 HydrophobicContact CD-CG1 4.17Å; K298-V335 HydrophobicContact CG-CG1 3.7Å
299	L	94	Very high	93.9	Very high	52 Å²	52	34.9 Å²	34.9	27%	0.272	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-40.1	173.5	-58.1	-173.5	0	0	0	112.5	E297 I336 E338 Q350 F386	E297-L299 HydrophobicContact CG-CD2 4.47Å; E297-L299 PolarHBondContact O-N 3.39Å; L299-I336 HydrophobicContact CB-CG2 4.42Å; L299-I336 HydrophobicContact CD1-CG2 4.43Å; L299-I336 PolarHBondContact N-O 3.07Å; L299-E338 HydrophobicContact CD1-CB 3.93Å; L299-E338 HydrophobicContact CD2-CB 3.98Å; L299-E338 HydrophobicContact CG-CB 3.96Å; L299-Q350 VanDerWaalsContact CD1-CD 3.48Å; L299-Q350 HydrophobicContact CD1-CG 3.75Å; L299-F386 HydrophobicContact CB-CE2 4.1Å; L299-F386 HydrophobicContact CB-CZ 3.87Å; L299-F386 HydrophobicContact CD1-CZ 3.85Å
300	H	93.3	Very high	93	Very high	68 Å²	68	35 Å²	35	32%	0.315	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.2	-176.4	-160.5	63.8	0	0	0	111.6	V335 I336 F386	H300-V335 CarbonylContact O-C 3.49Å; H300-V335 WeakPolarHBondContact O-CA 3.45Å; H300-I336 HydrophobicContact CB-CB 4.18Å; H300-I336 HydrophobicContact CB-CD1 4.26Å; H300-I336 HydrophobicContact CB-CG1 4.4Å; H300-I336 PolarHBondContact N-O 3.33Å; H300-I336 PolarHBondContact O-N 3.26Å; H300-F386 HydrophobicContact CB-CD2 3.73Å; H300-F386 HydrophobicContact CB-CE2 3.84Å; H300-F386 AromaticContact CG-CD2 3.97Å
301	E	94.1	Very high	91.9	Very high	35 Å²	35	39.1 Å²	39.1	16%	0.164	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149	172.6	69.5	-167.3	-156.7	0	0	109.3	K298 H303 G334 S402	K298-E301 IonicContact NZ-OE2 3.46Å; K298-E301 PolarHBondContact NZ-OE2 3.37Å; E301-H303 IonicContact OE1-CE1 3.97Å; E301-H303 IonicContact OE1-NE2 2.65Å; E301-G334 CarbonylContact C-O 3.52Å; E301-G334 VanDerWaalsContact CA-O 3.31Å; E301-G334 WeakPolarHBondContact CA-O 3.42Å; E301-S402 PolarHBondContact OE1-OG 3.43Å; E301-S402 VanDerWaalsContact OE1-OG 3.1Å
302	F	92.1	Very high	90.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.5	170.8	64.7	-86.8	0	0	0	110.4	G334 T354 L379 Y382	F302-G334 VanDerWaalsContact CE1-C 3.46Å; F302-G334 VanDerWaalsContact CE1-CA 3.4Å; F302-G334 PolarHBondContact N-O 2.95Å; F302-G334 PolarHBondContact O-N 3.07Å; F302-T354 WeakPolarHBondContact CZ-OG1 3.22Å; F302-L379 HydrophobicContact CE1-CD1 3.68Å; F302-L379 HydrophobicContact CE2-CD1 3.84Å; F302-L379 HydrophobicContact CZ-CD1 3.2Å; F302-Y382 HydrophobicContact CB-CD1 3.5Å; F302-Y382 HydrophobicContact CB-CD2 4.25Å; F302-Y382 HydrophobicContact CB-CE1 3.64Å; F302-Y382 HydrophobicContact CB-CE2 4.42Å; F302-Y382 HydrophobicContact CB-CG 3.85Å; F302-Y382 HydrophobicContact CD2-CD2 4.43Å; F302-Y382 HydrophobicContact CG-CD1 4.34Å; F302-Y382 HydrophobicContact CG-CD2 4.49Å; F302-Y382 HydrophobicContact CG-CG 4.22Å
303	H	94.1	Very high	89.5	Confident	45 Å²	45	40.1 Å²	40.1	21%	0.208	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	-177.7	-62.3	171	0	0	0	108.1	L268 E301	L268-H303 HydrophobicContact CD1-CB 3.98Å; L268-H303 HydrophobicContact CD2-CB 3.83Å; E301-H303 IonicContact OE1-CE1 3.97Å; E301-H303 IonicContact OE1-NE2 2.65Å
304	H	93.2	Very high	88.2	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.7	-176.2	-175.4	53.8	0	0	0	110.5	F306 S309 V331 A332	H304-F306 AromaticContact CD2-CD1 3.55Å; H304-F306 AromaticContact CD2-CE1 3.27Å; H304-F306 WeakPolarHBondContact CD2-CE1 3.48Å; H304-F306 AromaticContact CD2-CZ 3.86Å; H304-F306 AromaticContact NE2-CD1 3.06Å; H304-F306 WeakPolarHBondContact NE2-CD1 3.38Å; H304-F306 AromaticContact NE2-CE1 3.16Å; H304-F306 WeakPolarHBondContact NE2-CE1 3.23Å; H304-S309 PolarHBondContact CE1-OG 3.04Å; H304-S309 PolarHBondContact ND1-OG 3.17Å; H304-V331 CarbonylContact O-C 3.58Å; H304-V331 VanDerWaalsContact O-CA 3.28Å; H304-V331 WeakPolarHBondContact O-CA 3.44Å; H304-A332 WeakPolarHBondContact CA-O 3.45Å; H304-A332 HydrophobicContact CB-CB 4.33Å; H304-A332 WeakPolarHBondContact CB-O 3.4Å; H304-A332 PolarHBondContact N-O 2.92Å; H304-A332 PolarHBondContact O-N 3.46Å
305	E	92.7	Very high	87.1	Confident	17 Å²	17	40.8 Å²	40.8	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.5	172.2	-71.8	170.3	-100.8	0	0	107.9	S271 R274 M307 L308 S309 V331	S271-E305 WeakPolarHBondContact CB-OE2 3.14Å; S271-E305 WeakPolarHBondContact OG-CB 3.39Å; S271-E305 WeakPolarHBondContact OG-CG 3.08Å; S271-E305 PolarHBondContact OG-OE2 3.18Å; R274-E305 IonicContact CZ-OE1 3.14Å; R274-E305 IonicContact CZ-OE2 3.51Å; R274-E305 IonicContact NE-OE1 3.52Å; R274-E305 IonicContact NE-OE2 3.53Å; R274-E305 PolarHBondContact NE-OE2 3.01Å; R274-E305 IonicContact NH2-OE1 2.66Å; R274-E305 PolarHBondContact NH2-OE1 2.76Å; R274-E305 IonicContact NH2-OE2 2.65Å; R274-E305 PolarHBondContact NH2-OE2 3.48Å; E305-M307 VanDerWaalsContact C-N 3.27Å; E305-M307 PolarHBondContact O-N 2.93Å; E305-L308 HydrophobicContact CB-CB 4.25Å; E305-L308 HydrophobicContact CB-CD1 3.89Å; E305-L308 HydrophobicContact CB-CG 3.92Å; E305-L308 HydrophobicContact CG-CD1 4.39Å; E305-L308 PolarHBondContact O-N 2.8Å; E305-S309 PolarHBondContact O-N 3.22Å; E305-V331 HydrophobicContact CB-CG1 4.49Å; E305-V331 HydrophobicContact CG-CG1 3.85Å
306	F	91.9	Very high	86.3	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-42.6	-170.7	-65.9	-69.6	0	0	0	112.7	H304 L308 S309 C310 N330 A332 I358 Q371 L374 W375	H304-F306 AromaticContact CD2-CD1 3.55Å; H304-F306 AromaticContact CD2-CE1 3.27Å; H304-F306 WeakPolarHBondContact CD2-CE1 3.48Å; H304-F306 AromaticContact CD2-CZ 3.86Å; H304-F306 AromaticContact NE2-CD1 3.06Å; H304-F306 WeakPolarHBondContact NE2-CD1 3.38Å; H304-F306 AromaticContact NE2-CE1 3.16Å; H304-F306 WeakPolarHBondContact NE2-CE1 3.23Å; F306-L308 VanDerWaalsContact C-N 3.28Å; F306-L308 PolarHBondContact O-N 2.66Å; F306-S309 PolarHBondContact O-N 3.24Å; F306-C310 PolarHBondContact O-N 3.46Å; F306-C310 VanDerWaalsContact O-N 3.12Å; F306-C310 PolarHBondContact O-SG 3.03Å; F306-C310 VanDerWaalsContact O-SG 3.35Å; F306-N330 HydrophobicContact CD2-CB 3.55Å; F306-N330 WeakPolarHBondContact CD2-O 3.34Å; F306-N330 HydrophobicContact CE2-CB 3.93Å; F306-N330 PolarHBondContact N-O 2.6Å; F306-A332 HydrophobicContact CZ-CB 4.14Å; F306-I358 HydrophobicContact CE1-CD1 4.49Å; F306-I358 HydrophobicContact CE2-CD1 4.11Å; F306-I358 HydrophobicContact CZ-CD1 3.76Å; F306-Q371 HydrophobicContact CB-CG 4.16Å; F306-Q371 HydrophobicContact CD1-CB 3.9Å; F306-Q371 HydrophobicContact CD1-CG 4.06Å; F306-Q371 HydrophobicContact CD2-CB 4.39Å; F306-Q371 HydrophobicContact CD2-CG 4.13Å; F306-Q371 HydrophobicContact CE1-CB 3.96Å; F306-Q371 WeakPolarHBondContact CE1-O 3.44Å; F306-Q371 HydrophobicContact CE2-CB 4.45Å; F306-Q371 HydrophobicContact CG-CB 4.16Å; F306-Q371 HydrophobicContact CG-CG 3.86Å; F306-Q371 HydrophobicContact CZ-CB 4.25Å; F306-L374 HydrophobicContact CD1-CB 4.18Å; F306-W375 HydrophobicContact CE1-CB 3.87Å; F306-W375 HydrophobicContact CE1-CG 4.41Å; F306-W375 HydrophobicContact CZ-CB 4.34Å; F306-W375 HydrophobicContact CZ-CD2 4.49Å; F306-W375 HydrophobicContact CZ-CE3 4.4Å; F306-W375 HydrophobicContact CZ-CG 4.49Å
307	M	88.7	Confident	85.6	Confident	57 Å²	57	45.9 Å²	45.9	28%	0.281	24%	0.235	S	C	.	.	H	α-helix	trans	-55.1	-40.5	176.3	173.6	-175.6	-63.6	0	0	112.9	E305 T311 M326 D329	E305-M307 VanDerWaalsContact C-N 3.27Å; E305-M307 PolarHBondContact O-N 2.93Å; M307-T311 PolarHBondContact O-N 2.73Å; M307-T311 PolarHBondContact O-OG1 2.94Å; M307-T311 VanDerWaalsContact O-OG1 3.14Å; M307-M326 WeakPolarHBondContact CE-O 3.41Å; M307-M326 VanDerWaalsContact CG-O 3.23Å; M307-M326 WeakPolarHBondContact CG-O 3.28Å; M307-D329 HydrophobicContact CE-CB 4.4Å
308	L	84.8	Confident	85.2	Confident	43 Å²	43	41.9 Å²	41.9	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-72.7	-39.5	-178.7	-61.7	-175.9	0	0	0	111.3	E305 F306 C310 T311 S312 P406	E305-L308 HydrophobicContact CB-CB 4.25Å; E305-L308 HydrophobicContact CB-CD1 3.89Å; E305-L308 HydrophobicContact CB-CG 3.92Å; E305-L308 HydrophobicContact CG-CD1 4.39Å; E305-L308 PolarHBondContact O-N 2.8Å; F306-L308 VanDerWaalsContact C-N 3.28Å; F306-L308 PolarHBondContact O-N 2.66Å; L308-C310 VanDerWaalsContact C-N 3.31Å; L308-C310 PolarHBondContact O-N 2.65Å; L308-T311 WeakPolarHBondContact O-CB 3.26Å; L308-T311 PolarHBondContact O-N 3.48Å; L308-T311 VanDerWaalsContact O-N 3.11Å; L308-S312 PolarHBondContact O-N 2.82Å; L308-S312 PolarHBondContact O-OG 2.82Å; L308-P406 HydrophobicContact CB-CG 3.63Å
309	S	82.7	Confident	84.9	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-38.3	175.3	-74.6	0	0	0	0	112.2	H304 E305 F306 T311 S312 M313 E378	H304-S309 PolarHBondContact CE1-OG 3.04Å; H304-S309 PolarHBondContact ND1-OG 3.17Å; E305-S309 PolarHBondContact O-N 3.22Å; F306-S309 PolarHBondContact O-N 3.24Å; S309-T311 PolarHBondContact O-N 3.32Å; S309-S312 WeakPolarHBondContact CA-OG 3.46Å; S309-S312 PolarHBondContact O-N 3.29Å; S309-S312 PolarHBondContact O-OG 2.85Å; S309-M313 VanDerWaalsContact O-CB 3.24Å; S309-M313 WeakPolarHBondContact O-CB 3.22Å; S309-M313 WeakPolarHBondContact O-CG 3.25Å; S309-M313 PolarHBondContact O-N 3Å; S309-E378 WeakPolarHBondContact CB-OE1 3.45Å; S309-E378 PolarHBondContact OG-OE1 3.5Å
310	C	81.3	Confident	84.7	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-36.1	174.8	-65.1	0	0	0	0	112.7	F306 L308 M321 M326 L374	F306-C310 PolarHBondContact O-N 3.46Å; F306-C310 VanDerWaalsContact O-N 3.12Å; F306-C310 PolarHBondContact O-SG 3.03Å; F306-C310 VanDerWaalsContact O-SG 3.35Å; L308-C310 VanDerWaalsContact C-N 3.31Å; L308-C310 PolarHBondContact O-N 2.65Å; C310-M321 HydrophobicContact CB-SD 4.16Å; C310-M326 HydrophobicContact CB-CE 4.36Å; C310-M326 HydrophobicContact CB-CG 3.4Å; C310-M326 VanDerWaalsContact CB-CG 3.4Å; C310-M326 HydrophobicContact CB-SD 4.02Å; C310-L374 VanDerWaalsContact SG-CD1 3.5Å
311	T	75.4	Confident	84.5	Confident	86 Å²	86	38.5 Å²	38.5	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-71.1	-36.4	-178.3	-49.8	0	0	0	0	112.1	M307 L308 S309 M326	M307-T311 PolarHBondContact O-N 2.73Å; M307-T311 PolarHBondContact O-OG1 2.94Å; M307-T311 VanDerWaalsContact O-OG1 3.14Å; L308-T311 WeakPolarHBondContact O-CB 3.26Å; L308-T311 PolarHBondContact O-N 3.48Å; L308-T311 VanDerWaalsContact O-N 3.11Å; S309-T311 PolarHBondContact O-N 3.32Å; T311-M326 WeakPolarHBondContact OG1-CE 3.35Å
312	S	71.3	Confident	84.2	Confident	30 Å²	30	40.5 Å²	40.5	21%	0.21	22%	0.222	C	C	.	.	H	α-helix	trans	-81.6	-24.1	179.4	43.9	0	0	0	0	113.5	L308 S309 P406 S408	L308-S312 PolarHBondContact O-N 2.82Å; L308-S312 PolarHBondContact O-OG 2.82Å; S309-S312 WeakPolarHBondContact CA-OG 3.46Å; S309-S312 PolarHBondContact O-N 3.29Å; S309-S312 PolarHBondContact O-OG 2.85Å; S312-P406 WeakPolarHBondContact OG-CB 3.34Å; S312-S408 WeakPolarHBondContact CB-OG 3.24Å; S312-S408 PolarHBondContact OG-OG 3.19Å
313	M	74.3	Confident	84.1	Confident	3 Å²	3	46 Å²	46	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-86.4	-28.9	-169.9	-77.2	-175	54.2	0	0	115.5	S309 L374 W467 K468 L469	S309-M313 VanDerWaalsContact O-CB 3.24Å; S309-M313 WeakPolarHBondContact O-CB 3.22Å; S309-M313 WeakPolarHBondContact O-CG 3.25Å; S309-M313 PolarHBondContact O-N 3Å; M313-L374 HydrophobicContact CE-CD2 3.61Å; M313-L374 HydrophobicContact SD-CD2 3.22Å; M313-L374 WeakPolarHBondContact SD-CD2 3.42Å; M313-W467 HydrophobicContact CE-CB 3.87Å; M313-W467 HydrophobicContact CE-CD2 3.9Å; M313-W467 HydrophobicContact CE-CE3 3.32Å; M313-W467 HydrophobicContact CE-CG 4.16Å; M313-W467 HydrophobicContact CE-CZ3 4.12Å; M313-K468 PolarHBondContact O-N 2.94Å; M313-L469 HydrophobicContact CE-CB 3.16Å; M313-L469 HydrophobicContact CE-CD2 3.61Å; M313-L469 HydrophobicContact CE-CG 3.97Å; M313-L469 HydrophobicContact CG-CB 3.89Å; M313-L469 HydrophobicContact CG-CD2 4.39Å; M313-L469 HydrophobicContact SD-CB 3.59Å; M313-L469 VanDerWaalsContact SD-CB 3.59Å; M313-L469 HydrophobicContact SD-CD2 3.26Å; M313-L469 WeakPolarHBondContact SD-CD2 3.29Å; M313-L469 HydrophobicContact SD-CG 4.02Å
314	C	69.8	Low	84.1	Confident	16 Å²	16	46.1 Å²	46.1	11%	0.108	25%	0.25	C	S	.	.			trans	-126.7	113.1	-177.1	-162.8	0	0	0	0	109	N316 P317	C314-N316 PolarHBondContact O-N 3.36Å; C314-N316 PolarHBondContact SG-O 3.29Å; C314-P317 HydrophobicContact CB-CB 4.33Å; C314-P317 VanDerWaalsContact SG-CA 3.59Å
315	E	71	Confident	84	Confident	143 Å²	143	46 Å²	46	67%	0.668	25%	0.25	S	C	*	.	S	Bend	trans	-61.9	-31.3	175.6	-72.6	-177.7	170	0	0	111.7	K468	E315-K468 WeakPolarHBondContact OE1-CE 3.34Å; E315-K468 IonicContact OE1-NZ 2.62Å; E315-K468 PolarHBondContact OE1-NZ 2.8Å
316	N	78.9	Confident	83.9	Confident	136 Å²	136	46.7 Å²	46.7	73%	0.727	25%	0.253	S	S	*	.	S	Bend	trans	-129	74.8	-179.6	-64.4	-57.1	0	0	0	109.6	C314 T318	C314-N316 PolarHBondContact O-N 3.36Å; C314-N316 PolarHBondContact SG-O 3.29Å; N316-T318 PolarHBondContact O-N 3.01Å
317	P	82.9	Confident	83.7	Confident	35 Å²	35	49.4 Å²	49.4	23%	0.227	28%	0.276	C	S	.	.			trans	-60.9	133.9	-176.6	26.6	-33.9	0	0	0	110.3	C314 M321 L322 M326	C314-P317 HydrophobicContact CB-CB 4.33Å; C314-P317 VanDerWaalsContact SG-CA 3.59Å; P317-M321 HydrophobicContact CB-CB 4.35Å; P317-M321 HydrophobicContact CB-CG 4.05Å; P317-L322 HydrophobicContact CB-CD2 4.08Å; P317-L322 HydrophobicContact CB-CG 4.01Å; P317-L322 HydrophobicContact CG-CD1 4.23Å; P317-L322 HydrophobicContact CG-CD2 3.61Å; P317-L322 HydrophobicContact CG-CG 3.88Å; P317-M326 HydrophobicContact CB-SD 3.98Å; P317-M326 HydrophobicContact CG-SD 4.25Å
318	T	86.1	Confident	83.9	Confident	18 Å²	18	49.1 Å²	49.1	11%	0.11	27%	0.272	C	S	.	.			trans	-63.4	153.1	179	69.9	0	0	0	0	110.2	N316 I320 M321 L322 K461 M463	N316-T318 PolarHBondContact O-N 3.01Å; T318-I320 PolarHBondContact O-N 3.28Å; T318-M321 WeakPolarHBondContact O-CB 3.24Å; T318-M321 PolarHBondContact O-N 2.83Å; T318-M321 PolarHBondContact OG1-N 3Å; T318-L322 PolarHBondContact O-N 3.4Å; T318-K461 WeakPolarHBondContact CG2-O 3.36Å; T318-K461 PolarHBondContact OG1-O 3.4Å; T318-M463 HydrophobicContact CG2-CB 4.44Å; T318-M463 HydrophobicContact CG2-CG 4.11Å; T318-M463 HydrophobicContact CG2-SD 3.92Å
319	P	89.4	Confident	84.4	Confident	93 Å²	93	48.4 Å²	48.4	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-54	-30.7	178.1	-28.5	35.5	0	0	0	113.4	N323	P319-N323 VanDerWaalsContact O-CB 3.31Å; P319-N323 WeakPolarHBondContact O-CB 3.4Å; P319-N323 PolarHBondContact O-N 3.03Å; P319-N323 PolarHBondContact O-ND2 2.57Å
320	I	90.5	Very high	85.1	Confident	32 Å²	32	48.6 Å²	48.6	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-46.1	177.1	-58.1	176.1	0	0	0	110.6	T318 L322 N323 R324 Y458 K461 Y462	T318-I320 PolarHBondContact O-N 3.28Å; I320-L322 VanDerWaalsContact C-N 3.35Å; I320-L322 PolarHBondContact O-N 3.5Å; I320-N323 PolarHBondContact O-N 2.93Å; I320-R324 HydrophobicContact CG2-CG 4.36Å; I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å; I320-Y458 HydrophobicContact CD1-CD1 3.78Å; I320-Y458 HydrophobicContact CD1-CE1 4.32Å; I320-Y458 HydrophobicContact CD1-CG 4.15Å; I320-Y458 HydrophobicContact CG2-CD2 4.38Å; I320-Y458 HydrophobicContact CG2-CG 4.31Å; I320-K461 HydrophobicContact CD1-CB 3.57Å; I320-K461 HydrophobicContact CD1-CD 3.5Å; I320-K461 VanDerWaalsContact CD1-CD 3.5Å; I320-K461 HydrophobicContact CD1-CG 4.19Å; I320-Y462 HydrophobicContact CB-CE1 4.31Å; I320-Y462 HydrophobicContact CG2-CD1 4.49Å; I320-Y462 HydrophobicContact CG2-CE1 3.62Å; I320-Y462 HydrophobicContact CG2-CE2 4.22Å; I320-Y462 VanDerWaalsContact CG2-CZ 3.46Å; I320-Y462 WeakPolarHBondContact CG2-OH 3.47Å
321	M	89.7	Confident	85.8	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.03	27%	0.268	C	S	.	.	I	π-helix	trans	-57.3	-47.6	174.2	177.2	59.4	75.5	0	0	111.3	C310 P317 T318 V325 M326 I370 Y462 W467	C310-M321 HydrophobicContact CB-SD 4.16Å; P317-M321 HydrophobicContact CB-CB 4.35Å; P317-M321 HydrophobicContact CB-CG 4.05Å; T318-M321 WeakPolarHBondContact O-CB 3.24Å; T318-M321 PolarHBondContact O-N 2.83Å; T318-M321 PolarHBondContact OG1-N 3Å; M321-V325 PolarHBondContact O-N 3.35Å; M321-V325 VanDerWaalsContact O-N 3.13Å; M321-V325 HydrophobicContact SD-CB 3.56Å; M321-V325 VanDerWaalsContact SD-CB 3.56Å; M321-V325 HydrophobicContact SD-CG1 3.81Å; M321-V325 HydrophobicContact SD-CG2 3.92Å; M321-M326 HydrophobicContact CG-CG 4.09Å; M321-M326 HydrophobicContact CG-SD 4.13Å; M321-M326 PolarHBondContact O-N 3.31Å; M321-M326 HydrophobicContact SD-CG 4.3Å; M321-I370 HydrophobicContact CE-CG2 4.29Å; M321-Y462 HydrophobicContact CE-CD1 4.1Å; M321-W467 HydrophobicContact CE-CH2 3.59Å; M321-W467 HydrophobicContact CE-CZ2 3.05Å
322	L	88	Confident	86.9	Confident	77 Å²	77	44.4 Å²	44.4	40%	0.403	24%	0.243	S	C	.	.	I	π-helix	trans	-59.3	-50.6	179	-73.6	168.9	0	0	0	112.1	P317 T318 I320 M326	P317-L322 HydrophobicContact CB-CD2 4.08Å; P317-L322 HydrophobicContact CB-CG 4.01Å; P317-L322 HydrophobicContact CG-CD1 4.23Å; P317-L322 HydrophobicContact CG-CD2 3.61Å; P317-L322 HydrophobicContact CG-CG 3.88Å; T318-L322 PolarHBondContact O-N 3.4Å; I320-L322 VanDerWaalsContact C-N 3.35Å; I320-L322 PolarHBondContact O-N 3.5Å; L322-M326 HydrophobicContact CD2-CE 4.15Å; L322-M326 HydrophobicContact CD2-SD 3.47Å; L322-M326 WeakPolarHBondContact CD2-SD 3.34Å; L322-M326 HydrophobicContact CG-SD 4.3Å
323	N	90.2	Very high	88.2	Confident	120 Å²	120	43 Å²	43	64%	0.642	23%	0.233	S	C	*	.	I	π-helix	trans	-80.6	-36.5	-170.2	-67.7	-22.3	0	0	0	113.4	P319 I320	P319-N323 VanDerWaalsContact O-CB 3.31Å; P319-N323 WeakPolarHBondContact O-CB 3.4Å; P319-N323 PolarHBondContact O-N 3.03Å; P319-N323 PolarHBondContact O-ND2 2.57Å; I320-N323 PolarHBondContact O-N 2.93Å
324	R	92.5	Very high	89.3	Confident	47 Å²	47	42.8 Å²	42.8	18%	0.177	23%	0.233	C	C	.	.	I	π-helix	trans	-96.1	-42.7	-172.4	-61.1	-175.2	63.9	74.2	-2	112.7	I320 E363 H364 D366 V367	I320-R324 HydrophobicContact CG2-CG 4.36Å; I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å; R324-E363 PolarHBondContact NH2-O 2.87Å; R324-H364 PolarHBondContact NH2-CD2 3.49Å; R324-H364 VanDerWaalsContact NH2-CD2 3.35Å; R324-D366 IonicContact CZ-OD1 3.66Å; R324-D366 IonicContact CZ-OD2 3.04Å; R324-D366 IonicContact NE-OD1 3.48Å; R324-D366 PolarHBondContact NE-OD1 2.98Å; R324-D366 IonicContact NE-OD2 2.82Å; R324-D366 PolarHBondContact NE-OD2 3.2Å; R324-D366 IonicContact NH2-OD1 3.54Å; R324-D366 PolarHBondContact NH2-OD1 3.08Å; R324-D366 IonicContact NH2-OD2 3.22Å; R324-V367 HydrophobicContact CB-CG2 3.96Å; R324-V367 WeakPolarHBondContact O-CG2 3.43Å
325	V	91.9	Very high	90.6	Very high	2 Å²	2	42 Å²	42	1%	0.012	23%	0.227	C	C	.	.	I	π-helix	trans	-100.3	-52.1	-170.1	-174	0	0	0	0	111.7	M321 A327 R328 V367 I370 Y462	M321-V325 PolarHBondContact O-N 3.35Å; M321-V325 VanDerWaalsContact O-N 3.13Å; M321-V325 HydrophobicContact SD-CB 3.56Å; M321-V325 VanDerWaalsContact SD-CB 3.56Å; M321-V325 HydrophobicContact SD-CG1 3.81Å; M321-V325 HydrophobicContact SD-CG2 3.92Å; V325-A327 PolarHBondContact O-N 3.3Å; V325-A327 VanDerWaalsContact O-N 3.15Å; V325-R328 PolarHBondContact O-N 3.14Å; V325-R328 VanDerWaalsContact O-N 3.08Å; V325-V367 HydrophobicContact CG2-CG2 4.29Å; V325-I370 HydrophobicContact CB-CG2 4.41Å; V325-I370 HydrophobicContact CG1-CB 4.43Å; V325-I370 HydrophobicContact CG1-CG2 3.55Å; V325-I370 HydrophobicContact CG2-CB 4.29Å; V325-I370 HydrophobicContact CG2-CD1 3.64Å; V325-I370 HydrophobicContact CG2-CG2 4Å; V325-Y462 HydrophobicContact CG2-CE1 4.05Å
326	M	90.1	Very high	91.9	Very high	30 Å²	30	35.3 Å²	35.3	15%	0.148	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.6	-174.5	-70.3	-175.6	67.6	0	0	113.2	M307 C310 T311 P317 M321 L322 R328	M307-M326 WeakPolarHBondContact CE-O 3.41Å; M307-M326 VanDerWaalsContact CG-O 3.23Å; M307-M326 WeakPolarHBondContact CG-O 3.28Å; C310-M326 HydrophobicContact CB-CE 4.36Å; C310-M326 HydrophobicContact CB-CG 3.4Å; C310-M326 VanDerWaalsContact CB-CG 3.4Å; C310-M326 HydrophobicContact CB-SD 4.02Å; T311-M326 WeakPolarHBondContact OG1-CE 3.35Å; P317-M326 HydrophobicContact CB-SD 3.98Å; P317-M326 HydrophobicContact CG-SD 4.25Å; M321-M326 HydrophobicContact CG-CG 4.09Å; M321-M326 HydrophobicContact CG-SD 4.13Å; M321-M326 PolarHBondContact O-N 3.31Å; M321-M326 HydrophobicContact SD-CG 4.3Å; L322-M326 HydrophobicContact CD2-CE 4.15Å; L322-M326 HydrophobicContact CD2-SD 3.47Å; L322-M326 WeakPolarHBondContact CD2-SD 3.34Å; L322-M326 HydrophobicContact CG-SD 4.3Å; M326-R328 PolarHBondContact O-N 3.42Å
327	A	88.1	Confident	92.7	Very high	59 Å²	59	28.8 Å²	28.8	49%	0.488	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.7	176.9	0	0	0	0	0	114.1	V325	V325-A327 PolarHBondContact O-N 3.3Å; V325-A327 VanDerWaalsContact O-N 3.15Å
328	R	93.7	Very high	93.3	Very high	51 Å²	51	29.7 Å²	29.7	19%	0.192	16%	0.162	C	C	.	.			trans	-105.6	130.6	-177	-56.9	-57.7	-175.3	-93.3	-3.7	111.3	V325 M326 H359 H364 V367	V325-R328 PolarHBondContact O-N 3.14Å; V325-R328 VanDerWaalsContact O-N 3.08Å; M326-R328 PolarHBondContact O-N 3.42Å; R328-H359 VanDerWaalsContact CD-CE1 3.44Å; R328-H359 WeakPolarHBondContact CD-CE1 3.32Å; R328-H359 PolarHBondContact NE-CE1 2.76Å; R328-H359 PolarHBondContact NE-NE2 3.13Å; R328-H364 PolarHBondContact NH2-NE2 2.92Å; R328-H364 VanDerWaalsContact NH2-NE2 3.11Å; R328-V367 HydrophobicContact CG-CG1 4.08Å
329	D	93.9	Very high	93.7	Very high	28 Å²	28	29.2 Å²	29.2	15%	0.15	16%	0.159	C	C	.	.			trans	-96.7	11.4	-169.2	68.6	-19.1	0	0	0	114.3	S271 R272 M307	S271-D329 PolarHBondContact N-O 2.89Å; S271-D329 PolarHBondContact OG-O 2.74Å; R272-D329 HydrophobicContact CB-CB 4.32Å; R272-D329 WeakPolarHBondContact CB-OD2 3.43Å; R272-D329 WeakPolarHBondContact CD-OD2 3.27Å; R272-D329 WeakPolarHBondContact CG-OD2 3.17Å; R272-D329 IonicContact CZ-OD2 2.73Å; R272-D329 IonicContact NE-OD2 2.82Å; R272-D329 IonicContact NH1-OD1 3.79Å; R272-D329 IonicContact NH1-OD2 2.88Å; R272-D329 PolarHBondContact NH1-OD2 3.23Å; M307-D329 HydrophobicContact CE-CB 4.4Å
330	N	97.3	Very high	93.7	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.032	15%	0.151	C	C	.	.			trans	-53	157.2	178.4	-63.5	96	0	0	0	112	F306 H357 I358 H359 Q371	F306-N330 HydrophobicContact CD2-CB 3.55Å; F306-N330 WeakPolarHBondContact CD2-O 3.34Å; F306-N330 HydrophobicContact CE2-CB 3.93Å; F306-N330 PolarHBondContact N-O 2.6Å; N330-H357 WeakPolarHBondContact CB-O 3.25Å; N330-H357 PolarHBondContact ND2-O 2.83Å; N330-I358 VanDerWaalsContact ND2-C 3.34Å; N330-I358 PolarHBondContact ND2-O 3.24Å; N330-H359 PolarHBondContact ND2-N 2.98Å; N330-Q371 PolarHBondContact OD1-NE2 3.36Å
331	V	97.3	Very high	92.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.1	-176.4	-64.5	0	0	0	0	112.1	L268 K270 H304 E305 G356 H357	L268-V331 HydrophobicContact CD2-CB 3.89Å; L268-V331 HydrophobicContact CD2-CG1 4.3Å; L268-V331 HydrophobicContact CD2-CG2 4.47Å; L268-V331 HydrophobicContact CG-CB 4.23Å; L268-V331 HydrophobicContact CG-CG1 4.41Å; L268-V331 HydrophobicContact CG-CG2 4.4Å; K270-V331 HydrophobicContact CG-CG2 4.23Å; H304-V331 CarbonylContact O-C 3.58Å; H304-V331 VanDerWaalsContact O-CA 3.28Å; H304-V331 WeakPolarHBondContact O-CA 3.44Å; E305-V331 HydrophobicContact CB-CG1 4.49Å; E305-V331 HydrophobicContact CG-CG1 3.85Å; V331-G356 WeakPolarHBondContact O-CA 3.2Å; V331-H357 PolarHBondContact O-N 2.8Å
332	A	98	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.7	164.2	0	0	0	0	0	110.3	L268 H304 F306 T355 W375	L268-A332 WeakPolarHBondContact CD2-O 3.43Å; H304-A332 WeakPolarHBondContact CA-O 3.45Å; H304-A332 HydrophobicContact CB-CB 4.33Å; H304-A332 WeakPolarHBondContact CB-O 3.4Å; H304-A332 PolarHBondContact N-O 2.92Å; H304-A332 PolarHBondContact O-N 3.46Å; F306-A332 HydrophobicContact CZ-CB 4.14Å; A332-T355 CarbonylContact C-O 3.6Å; A332-T355 VanDerWaalsContact CA-O 3.26Å; A332-T355 WeakPolarHBondContact CA-O 3.38Å; A332-W375 HydrophobicContact CB-CD2 3.96Å; A332-W375 HydrophobicContact CB-CG 4.34Å; A332-W375 HydrophobicContact CB-CH2 4.45Å; A332-W375 HydrophobicContact CB-CZ2 3.79Å
333	V	97.8	Very high	89.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.9	177	62.2	0	0	0	0	108.8	V266 L268 C287 I289 T354 T355	V266-V333 HydrophobicContact CG1-CG2 3.76Å; V266-V333 HydrophobicContact CG2-CG2 3.97Å; L268-V333 HydrophobicContact CB-CB 3.99Å; L268-V333 HydrophobicContact CB-CG2 4.34Å; L268-V333 HydrophobicContact CD2-CB 4.42Å; C287-V333 HydrophobicContact CB-CG1 3.81Å; I289-V333 HydrophobicContact CD1-CG1 4.11Å; I289-V333 HydrophobicContact CG1-CG1 4.08Å; V333-T354 CarbonylContact O-C 3.5Å; V333-T354 VanDerWaalsContact O-CA 3.29Å; V333-T354 WeakPolarHBondContact O-CA 3.11Å; V333-T354 PolarHBondContact O-OG1 3.09Å; V333-T355 HydrophobicContact CG1-CG2 3.86Å; V333-T355 PolarHBondContact N-O 3.17Å; V333-T355 PolarHBondContact O-N 3.25Å; V333-T355 VanDerWaalsContact O-O 3.13Å
334	G	98	Very high	87.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.3	169.9	0	0	0	0	0	114.2	E301 F302 V353	E301-G334 CarbonylContact C-O 3.52Å; E301-G334 VanDerWaalsContact CA-O 3.31Å; E301-G334 WeakPolarHBondContact CA-O 3.42Å; F302-G334 VanDerWaalsContact CE1-C 3.46Å; F302-G334 VanDerWaalsContact CE1-CA 3.4Å; F302-G334 PolarHBondContact N-O 2.95Å; F302-G334 PolarHBondContact O-N 3.07Å; G334-V353 CarbonylContact C-O 3.41Å; G334-V353 WeakPolarHBondContact CA-O 3.35Å
335	V	98.1	Very high	85.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.6	-173.2	-175.1	0	0	0	0	109.2	V266 I289 W291 K298 H300 F337 C352 V353	V266-V335 HydrophobicContact CB-CG2 4.44Å; V266-V335 HydrophobicContact CG1-CG2 3.48Å; V266-V335 VanDerWaalsContact CG1-CG2 3.48Å; I289-V335 HydrophobicContact CD1-CG2 4.19Å; W291-V335 HydrophobicContact CZ3-CG2 4.31Å; K298-V335 HydrophobicContact CB-CG1 4.34Å; K298-V335 HydrophobicContact CD-CG1 4.17Å; K298-V335 HydrophobicContact CG-CG1 3.7Å; H300-V335 CarbonylContact O-C 3.49Å; H300-V335 WeakPolarHBondContact O-CA 3.45Å; V335-F337 HydrophobicContact CB-CD2 4.4Å; V335-F337 HydrophobicContact CB-CE1 4.06Å; V335-F337 HydrophobicContact CB-CE2 3.79Å; V335-F337 HydrophobicContact CB-CZ 3.59Å; V335-F337 HydrophobicContact CG1-CD1 3.73Å; V335-F337 HydrophobicContact CG1-CD2 4.24Å; V335-F337 HydrophobicContact CG1-CE1 3.3Å; V335-F337 HydrophobicContact CG1-CE2 3.88Å; V335-F337 HydrophobicContact CG1-CG 4.18Å; V335-F337 HydrophobicContact CG1-CZ 3.39Å; V335-F337 HydrophobicContact CG2-CZ 4.22Å; V335-C352 WeakPolarHBondContact O-CA 3.43Å; V335-V353 PolarHBondContact N-O 2.71Å; V335-V353 PolarHBondContact O-N 3.38Å
336	I	97.4	Very high	83.8	Confident	1 Å²	1	41 Å²	41	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.4	166.9	-56.5	179.5	0	0	0	107.4	L299 H300 F351 C352 F386 M423	L299-I336 HydrophobicContact CB-CG2 4.42Å; L299-I336 HydrophobicContact CD1-CG2 4.43Å; L299-I336 PolarHBondContact N-O 3.07Å; H300-I336 HydrophobicContact CB-CB 4.18Å; H300-I336 HydrophobicContact CB-CD1 4.26Å; H300-I336 HydrophobicContact CB-CG1 4.4Å; H300-I336 PolarHBondContact N-O 3.33Å; H300-I336 PolarHBondContact O-N 3.26Å; I336-F351 CarbonylContact C-O 3.48Å; I336-F351 WeakPolarHBondContact CA-O 3.35Å; I336-C352 HydrophobicContact CG1-CB 4.3Å; I336-F386 HydrophobicContact CD1-CB 3.91Å; I336-F386 HydrophobicContact CD1-CD1 3.47Å; I336-F386 VanDerWaalsContact CD1-CD1 3.47Å; I336-F386 HydrophobicContact CD1-CD2 4.18Å; I336-F386 HydrophobicContact CD1-CE1 4.02Å; I336-F386 HydrophobicContact CD1-CG 3.56Å; I336-F386 HydrophobicContact CG2-CD1 4.31Å; I336-F386 HydrophobicContact CG2-CE1 3.79Å; I336-F386 HydrophobicContact CG2-CZ 4.08Å; I336-M423 HydrophobicContact CG2-CE 4.07Å
337	F	96.9	Very high	82.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.5	-179.8	-66.6	-64.6	0	0	0	111.7	I239 I289 W291 F296 E297 V335 Q350 F351 V353	I239-F337 HydrophobicContact CD1-CD2 4.2Å; I239-F337 HydrophobicContact CD1-CE2 4.01Å; I289-F337 HydrophobicContact CG2-CZ 4.31Å; W291-F337 HydrophobicContact CB-CE1 3.92Å; W291-F337 HydrophobicContact CB-CZ 3.85Å; W291-F337 AromaticContact CD1-CE1 3.76Å; W291-F337 AromaticContact CD2-CE1 3.42Å; W291-F337 HydrophobicContact CD2-CE1 3.42Å; W291-F337 VanDerWaalsContact CD2-CE1 3.42Å; W291-F337 AromaticContact CD2-CZ 3.73Å; W291-F337 HydrophobicContact CD2-CZ 3.73Å; W291-F337 AromaticContact CE2-CE1 3.83Å; W291-F337 AromaticContact CE3-CE1 3.86Å; W291-F337 HydrophobicContact CE3-CE1 3.86Å; W291-F337 AromaticContact CE3-CZ 3.75Å; W291-F337 HydrophobicContact CE3-CZ 3.75Å; W291-F337 HydrophobicContact CG-CD1 4.4Å; W291-F337 AromaticContact CG-CE1 3.41Å; W291-F337 HydrophobicContact CG-CE1 3.41Å; W291-F337 VanDerWaalsContact CG-CE1 3.41Å; W291-F337 AromaticContact CG-CZ 3.76Å; W291-F337 HydrophobicContact CG-CZ 3.76Å; W291-F337 AromaticContact NE1-CE1 3.98Å; F296-F337 HydrophobicContact CB-CB 4.42Å; F296-F337 HydrophobicContact CB-CD1 3.88Å; F296-F337 HydrophobicContact CB-CE1 4.46Å; F296-F337 HydrophobicContact CB-CG 4.28Å; E297-F337 CarbonylContact O-C 3.59Å; E297-F337 VanDerWaalsContact O-CA 3.26Å; E297-F337 WeakPolarHBondContact O-CA 3.34Å; V335-F337 HydrophobicContact CB-CD2 4.4Å; V335-F337 HydrophobicContact CB-CE1 4.06Å; V335-F337 HydrophobicContact CB-CE2 3.79Å; V335-F337 HydrophobicContact CB-CZ 3.59Å; V335-F337 HydrophobicContact CG1-CD1 3.73Å; V335-F337 HydrophobicContact CG1-CD2 4.24Å; V335-F337 HydrophobicContact CG1-CE1 3.3Å; V335-F337 HydrophobicContact CG1-CE2 3.88Å; V335-F337 HydrophobicContact CG1-CG 4.18Å; V335-F337 HydrophobicContact CG1-CZ 3.39Å; V335-F337 HydrophobicContact CG2-CZ 4.22Å; F337-Q350 WeakPolarHBondContact O-CA 3.5Å; F337-F351 HydrophobicContact CB-CD1 4.01Å; F337-F351 HydrophobicContact CB-CE1 3.54Å; F337-F351 HydrophobicContact CB-CE2 4.48Å; F337-F351 HydrophobicContact CB-CZ 3.8Å; F337-F351 HydrophobicContact CD2-CE1 4.45Å; F337-F351 AromaticContact CD2-CE2 3.95Å; F337-F351 HydrophobicContact CD2-CE2 3.95Å; F337-F351 AromaticContact CD2-CZ 3.85Å; F337-F351 HydrophobicContact CD2-CZ 3.85Å; F337-F351 HydrophobicContact CG-CE1 4.38Å; F337-F351 HydrophobicContact CG-CZ 4.15Å; F337-F351 PolarHBondContact N-O 3.34Å; F337-F351 PolarHBondContact O-N 2.99Å; F337-V353 HydrophobicContact CD2-CB 4.43Å; F337-V353 HydrophobicContact CD2-CG2 3.99Å; F337-V353 HydrophobicContact CE2-CB 4.02Å; F337-V353 HydrophobicContact CE2-CG2 3.91Å
338	E	94.8	Very high	82.4	Confident	54 Å²	54	40.8 Å²	40.8	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	159.4	-169.2	158.5	-100.5	0	0	109.4	F296 E297 L299 R349 Q350	F296-E338 WeakPolarHBondContact CA-O 3.3Å; E297-E338 HydrophobicContact CB-CB 4.48Å; E297-E338 PolarHBondContact N-O 2.58Å; E297-E338 PolarHBondContact O-N 2.68Å; L299-E338 HydrophobicContact CD1-CB 3.93Å; L299-E338 HydrophobicContact CD2-CB 3.98Å; L299-E338 HydrophobicContact CG-CB 3.96Å; E338-R349 WeakPolarHBondContact CA-O 3.28Å; E338-Q350 HydrophobicContact CB-CG 4.47Å; E338-Q350 HydrophobicContact CG-CG 4.37Å; E338-Q350 PolarHBondContact OE1-NE2 2.75Å
339	T	94.5	Very high	82.2	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.049	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.2	174.5	63.9	0	0	0	0	110	F191 F296 S341 G348 R349 F351 L559	F191-T339 HydrophobicContact CD1-CG2 3.67Å; F191-T339 HydrophobicContact CD2-CG2 4.15Å; F191-T339 HydrophobicContact CE1-CG2 3.79Å; F191-T339 HydrophobicContact CE2-CG2 4.24Å; F191-T339 HydrophobicContact CG-CG2 3.86Å; F191-T339 HydrophobicContact CZ-CG2 4.07Å; F296-T339 HydrophobicContact CD1-CG2 4.44Å; F296-T339 HydrophobicContact CE1-CG2 4.34Å; T339-S341 PolarHBondContact O-N 2.82Å; T339-G348 WeakPolarHBondContact O-CA 3.35Å; T339-R349 HydrophobicContact CG2-CB 4.32Å; T339-R349 PolarHBondContact N-O 3.38Å; T339-R349 PolarHBondContact OG1-N 3.37Å; T339-F351 HydrophobicContact CG2-CD1 4.32Å; T339-F351 HydrophobicContact CG2-CE1 3.96Å; T339-L559 HydrophobicContact CG2-CD2 4.18Å
340	K	89.7	Confident	82.2	Confident	98 Å²	98	42.4 Å²	42.4	43%	0.426	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-72.2	128.3	170.2	-67.9	-173.1	171.2	-178.1	0	109.5	T293 N294 K295 S342	T293-K340 VanDerWaalsContact O-CE 3.26Å; T293-K340 WeakPolarHBondContact O-CE 3.45Å; T293-K340 PolarHBondContact O-NZ 2.98Å; N294-K340 WeakPolarHBondContact O-CD 3.27Å; K295-K340 PolarHBondContact O-N 2.75Å; K340-S342 PolarHBondContact O-N 2.98Å
341	S	68.9	Low	82.1	Confident	73 Å²	73	42.1 Å²	42.1	51%	0.51	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-54.4	129.5	-173.5	-65.4	0	0	0	0	112.2	T339 T346	T339-S341 PolarHBondContact O-N 2.82Å; S341-T346 PolarHBondContact OG-O 3.06Å
342	S	55.9	Low	82.2	Confident	65 Å²	65	42.1 Å²	42.1	46%	0.455	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-59.4	148.1	149.3	-47	0	0	0	0	107.6	K340 D344	K340-S342 PolarHBondContact O-N 2.98Å; S342-D344 PolarHBondContact O-N 3.4Å
343	S	51.4	Low	82.2	Confident	123 Å²	123	42.1 Å²	42.1	86%	0.86	28%	0.276	S	S	*	.	S	Bend	trans	-41.6	8.4	-176.3	40.3	0	0	0	0	120.1
344	D	50.5	Low	82.3	Confident	106 Å²	106	42.1 Å²	42.1	57%	0.567	28%	0.276	S	S	*	.	S	Bend	trans	-108.7	10.6	-156	-45.5	-5.7	0	0	0	111.8	S342 T346	S342-D344 PolarHBondContact O-N 3.4Å; D344-T346 PolarHBondContact O-N 2.84Å
345	G	51.7	Low	82.3	Confident	78 Å²	78	42.1 Å²	42.1	80%	0.804	28%	0.276	S	S	*	.	S	Bend	trans	70.5	-0.3	175.6	0	0	0	0	0	115.6
346	T	55.2	Low	82.3	Confident	81 Å²	81	42.1 Å²	42.1	50%	0.497	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-78.6	124.8	171.3	58.3	0	0	0	0	109	S341 D344	S341-T346 PolarHBondContact OG-O 3.06Å; D344-T346 PolarHBondContact O-N 2.84Å
347	G	66.6	Low	82.4	Confident	60 Å²	60	42.5 Å²	42.5	62%	0.619	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-56.2	159.8	178	0	0	0	0	0	112.1
348	G	82.4	Confident	82.4	Confident	25 Å²	25	42.5 Å²	42.5	26%	0.258	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57	148.2	178.9	0	0	0	0	0	112.9	T339	T339-G348 WeakPolarHBondContact O-CA 3.35Å
349	R	89.7	Confident	82.6	Confident	44 Å²	44	40.7 Å²	40.7	17%	0.166	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-98.8	134.6	177.9	-60.9	179.9	-168.2	169.8	7	109.5	D189 E338 T339 L559	D189-R349 PolarHBondContact O-NH1 2.85Å; D189-R349 PolarHBondContact O-NH2 3.3Å; E338-R349 WeakPolarHBondContact CA-O 3.28Å; T339-R349 HydrophobicContact CG2-CB 4.32Å; T339-R349 PolarHBondContact N-O 3.38Å; T339-R349 PolarHBondContact OG1-N 3.37Å; R349-L559 HydrophobicContact CB-CD2 3.58Å; R349-L559 HydrophobicContact CB-CG 4.44Å; R349-L559 PolarHBondContact NH1-O 3.31Å
350	Q	93.7	Very high	82.7	Confident	68 Å²	68	48.3 Å²	48.3	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.2	-179.2	-59.4	-177.6	-2.1	0	0	111.2	L299 F337 E338 P424	L299-Q350 VanDerWaalsContact CD1-CD 3.48Å; L299-Q350 HydrophobicContact CD1-CG 3.75Å; F337-Q350 WeakPolarHBondContact O-CA 3.5Å; E338-Q350 HydrophobicContact CB-CG 4.47Å; E338-Q350 HydrophobicContact CG-CG 4.37Å; E338-Q350 PolarHBondContact OE1-NE2 2.75Å; Q350-P424 WeakPolarHBondContact O-CD 3.38Å
351	F	96.8	Very high	83	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.4	173.6	69.5	-74.1	0	0	0	110.9	F193 I239 F296 I336 F337 T339 V353 P424 F519 L559	F193-F351 HydrophobicContact CE2-CE2 4.1Å; F193-F351 HydrophobicContact CE2-CZ 4.44Å; F193-F351 HydrophobicContact CZ-CD2 4.34Å; F193-F351 AromaticContact CZ-CE2 3.77Å; F193-F351 HydrophobicContact CZ-CE2 3.77Å; F193-F351 HydrophobicContact CZ-CZ 4.18Å; I239-F351 HydrophobicContact CD1-CE2 3.81Å; I239-F351 HydrophobicContact CD1-CZ 3.81Å; F296-F351 AromaticContact CD1-CE1 3.75Å; F296-F351 HydrophobicContact CD1-CE1 3.75Å; F296-F351 AromaticContact CD1-CZ 3.74Å; F296-F351 HydrophobicContact CD1-CZ 3.74Å; F296-F351 AromaticContact CE1-CE1 3.75Å; F296-F351 HydrophobicContact CE1-CE1 3.75Å; F296-F351 AromaticContact CE1-CZ 3.52Å; F296-F351 HydrophobicContact CE1-CZ 3.52Å; F296-F351 HydrophobicContact CZ-CZ 4.24Å; I336-F351 CarbonylContact C-O 3.48Å; I336-F351 WeakPolarHBondContact CA-O 3.35Å; F337-F351 HydrophobicContact CB-CD1 4.01Å; F337-F351 HydrophobicContact CB-CE1 3.54Å; F337-F351 HydrophobicContact CB-CE2 4.48Å; F337-F351 HydrophobicContact CB-CZ 3.8Å; F337-F351 HydrophobicContact CD2-CE1 4.45Å; F337-F351 AromaticContact CD2-CE2 3.95Å; F337-F351 HydrophobicContact CD2-CE2 3.95Å; F337-F351 AromaticContact CD2-CZ 3.85Å; F337-F351 HydrophobicContact CD2-CZ 3.85Å; F337-F351 HydrophobicContact CG-CE1 4.38Å; F337-F351 HydrophobicContact CG-CZ 4.15Å; F337-F351 PolarHBondContact N-O 3.34Å; F337-F351 PolarHBondContact O-N 2.99Å; T339-F351 HydrophobicContact CG2-CD1 4.32Å; T339-F351 HydrophobicContact CG2-CE1 3.96Å; F351-V353 HydrophobicContact CD2-CG2 3.86Å; F351-V353 HydrophobicContact CE2-CG2 3.49Å; F351-V353 VanDerWaalsContact CE2-CG2 3.49Å; F351-P424 CarbonylContact C-O 3.28Å; F351-P424 WeakPolarHBondContact CA-O 3.42Å; F351-P424 HydrophobicContact CB-CB 3.78Å; F351-P424 HydrophobicContact CB-CG 4.32Å; F351-F519 HydrophobicContact CB-CZ 4.09Å; F351-F519 HydrophobicContact CD2-CZ 4.15Å; F351-F519 HydrophobicContact CG-CZ 4.39Å; F351-L559 HydrophobicContact CB-CD2 4.33Å; F351-L559 HydrophobicContact CD1-CD2 4.03Å; F351-L559 HydrophobicContact CG-CD2 4.38Å
352	C	98	Very high	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.1	179.1	-178.6	0	0	0	0	110.8	V335 I336 I383 M423 P424 V425 I426	V335-C352 WeakPolarHBondContact O-CA 3.43Å; I336-C352 HydrophobicContact CG1-CB 4.3Å; C352-I383 HydrophobicContact CB-CD1 4.31Å; C352-M423 HydrophobicContact CB-CG 4.13Å; C352-P424 PolarHBondContact N-O 3.38Å; C352-V425 HydrophobicContact CB-CG2 4.16Å; C352-V425 CarbonylContact O-C 3.54Å; C352-V425 WeakPolarHBondContact O-CA 3.3Å; C352-I426 PolarHBondContact O-N 2.99Å
353	V	98.7	Very high	86	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.5	166.9	-178.4	0	0	0	0	108.6	L195 I239 I289 G334 V335 F337 F351 I426	L195-V353 HydrophobicContact CD1-CG1 3.87Å; L195-V353 HydrophobicContact CD1-CG2 4.34Å; I239-V353 HydrophobicContact CD1-CG2 3.92Å; I239-V353 HydrophobicContact CG2-CG1 4.31Å; I289-V353 HydrophobicContact CD1-CG1 4.45Å; G334-V353 CarbonylContact C-O 3.41Å; G334-V353 WeakPolarHBondContact CA-O 3.35Å; V335-V353 PolarHBondContact N-O 2.71Å; V335-V353 PolarHBondContact O-N 3.38Å; F337-V353 HydrophobicContact CD2-CB 4.43Å; F337-V353 HydrophobicContact CD2-CG2 3.99Å; F337-V353 HydrophobicContact CE2-CB 4.02Å; F337-V353 HydrophobicContact CE2-CG2 3.91Å; F351-V353 HydrophobicContact CD2-CG2 3.86Å; F351-V353 HydrophobicContact CE2-CG2 3.49Å; F351-V353 VanDerWaalsContact CE2-CG2 3.49Å; V353-I426 WeakPolarHBondContact CA-O 3.4Å; V353-I426 HydrophobicContact CG2-CB 4.39Å; V353-I426 HydrophobicContact CG2-CD1 4.33Å
354	T	98.7	Very high	88.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.1	173.5	-168.9	0	0	0	0	111.1	F302 V333 W375 L379 I426 L427 C428	F302-T354 WeakPolarHBondContact CZ-OG1 3.22Å; V333-T354 CarbonylContact O-C 3.5Å; V333-T354 VanDerWaalsContact O-CA 3.29Å; V333-T354 WeakPolarHBondContact O-CA 3.11Å; V333-T354 PolarHBondContact O-OG1 3.09Å; T354-W375 HydrophobicContact CG2-CZ2 3.72Å; T354-W375 WeakPolarHBondContact OG1-CZ2 3.45Å; T354-W375 PolarHBondContact OG1-NE1 3.07Å; T354-L379 HydrophobicContact CG2-CD2 3.95Å; T354-I426 PolarHBondContact N-O 3.44Å; T354-L427 HydrophobicContact CG2-CB 3.85Å; T354-L427 HydrophobicContact CG2-CD1 4.35Å; T354-L427 HydrophobicContact CG2-CG 3.86Å; T354-C428 PolarHBondContact O-N 2.81Å; T354-C428 PolarHBondContact O-SG 2.76Å
355	T	98.8	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.3	172.1	-164.7	0	0	0	0	113.2	C241 Q243 C287 I289 A332 V333 C428	C241-T355 HydrophobicContact CB-CG2 3.97Å; Q243-T355 PolarHBondContact NE2-OG1 3.07Å; C287-T355 HydrophobicContact CB-CG2 4.18Å; I289-T355 HydrophobicContact CD1-CG2 4.07Å; I289-T355 HydrophobicContact CG1-CG2 3.61Å; A332-T355 CarbonylContact C-O 3.6Å; A332-T355 VanDerWaalsContact CA-O 3.26Å; A332-T355 WeakPolarHBondContact CA-O 3.38Å; V333-T355 HydrophobicContact CG1-CG2 3.86Å; V333-T355 PolarHBondContact N-O 3.17Å; V333-T355 PolarHBondContact O-N 3.25Å; V333-T355 VanDerWaalsContact O-O 3.13Å; T355-C428 WeakPolarHBondContact CA-O 3.37Å; T355-C428 WeakPolarHBondContact CB-O 3.14Å; T355-C428 PolarHBondContact OG1-O 2.87Å
356	G	98.3	Very high	92.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.2	-176.2	0	0	0	0	0	112.1	V331 C428 G429 D430	V331-G356 WeakPolarHBondContact O-CA 3.2Å; G356-C428 PolarHBondContact N-O 2.87Å; G356-G429 WeakPolarHBondContact O-CA 3.49Å; G356-D430 PolarHBondContact O-N 2.97Å
357	H	98.5	Very high	94.5	Very high	10 Å²	10	32 Å²	32	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	102.1	175.8	-176.7	174.9	0	0	0	108.5	Q243 E244 N330 V331 D430 N432	Q243-H357 HydrophobicContact CB-CB 4.21Å; Q243-H357 HydrophobicContact CG-CB 4.13Å; E244-H357 IonicContact OE1-CE1 3.21Å; E244-H357 PolarHBondContact OE1-CE1 2.74Å; E244-H357 VanDerWaalsContact OE1-CE1 3.28Å; N330-H357 WeakPolarHBondContact CB-O 3.25Å; N330-H357 PolarHBondContact ND2-O 2.83Å; V331-H357 PolarHBondContact O-N 2.8Å; H357-D430 WeakPolarHBondContact CA-O 3.33Å; H357-D430 IonicContact CD2-OD2 3.23Å; H357-D430 IonicContact NE2-OD2 3.54Å; H357-N432 PolarHBondContact CD2-ND2 3.47Å; H357-N432 PolarHBondContact NE2-ND2 2.93Å
358	I	98.2	Very high	96	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.			trans	-75	157.1	-177.2	-61.2	-63.1	0	0	0	110.8	F306 N330 K368 Q371 W375 D430 L431 N432	F306-I358 HydrophobicContact CE1-CD1 4.49Å; F306-I358 HydrophobicContact CE2-CD1 4.11Å; F306-I358 HydrophobicContact CZ-CD1 3.76Å; N330-I358 VanDerWaalsContact ND2-C 3.34Å; N330-I358 PolarHBondContact ND2-O 3.24Å; I358-K368 HydrophobicContact CG2-CB 3.7Å; I358-K368 HydrophobicContact CG2-CG 3.89Å; I358-Q371 HydrophobicContact CD1-CB 3.71Å; I358-W375 HydrophobicContact CD1-CE3 4.08Å; I358-W375 HydrophobicContact CD1-CZ3 4.33Å; I358-W375 HydrophobicContact CG1-CZ3 4.47Å; I358-D430 PolarHBondContact N-O 2.99Å; I358-L431 HydrophobicContact CG1-CD2 3.9Å; I358-N432 PolarHBondContact O-ND2 2.81Å
359	H	97.9	Very high	96.8	Very high	15 Å²	15	28.6 Å²	28.6	7%	0.069	14%	0.135	C	C	.	.			trans	-53.6	139.5	179.3	-169.5	49.8	0	0	0	112.6	R328 N330 V367 K368 N432	R328-H359 VanDerWaalsContact CD-CE1 3.44Å; R328-H359 WeakPolarHBondContact CD-CE1 3.32Å; R328-H359 PolarHBondContact NE-CE1 2.76Å; R328-H359 PolarHBondContact NE-NE2 3.13Å; N330-H359 PolarHBondContact ND2-N 2.98Å; H359-V367 HydrophobicContact CB-CG1 4.15Å; H359-K368 WeakPolarHBondContact O-CD 3.42Å; H359-K368 WeakPolarHBondContact O-CE 3.43Å; H359-K368 WeakPolarHBondContact O-CG 3.03Å; H359-N432 VanDerWaalsContact O-CB 3.31Å; H359-N432 WeakPolarHBondContact O-CB 3.02Å
360	W	96.4	Very high	97	Very high	169 Å²	169	26.5 Å²	26.5	64%	0.64	13%	0.127	S	C	*	.			trans	-86.8	-36.1	-168	69.7	-89.9	0	0	0	114.2	P362 K368	W360-P362 WeakPolarHBondContact O-CD 3.37Å; W360-K368 WeakPolarHBondContact O-CE 3.4Å; W360-K368 PolarHBondContact O-NZ 3.26Å
361	D	95.9	Very high	97.1	Very high	33 Å²	33	23.3 Å²	23.3	18%	0.176	11%	0.112	C	C	.	.			trans	-58.2	120.2	-166.9	-174.1	-18.4	0	0	0	112.6	E363 H364 K368	D361-E363 PolarHBondContact O-N 2.67Å; D361-E363 WeakPolarHBondContact OD1-CB 3.41Å; D361-E363 PolarHBondContact OD1-N 2.88Å; D361-H364 HydrophobicContact CB-CB 4.26Å; D361-H364 PolarHBondContact O-N 2.97Å; D361-H364 VanDerWaalsContact O-N 3.1Å; D361-H364 IonicContact OD1-ND1 2.79Å; D361-H364 IonicContact OD2-CE1 3.39Å; D361-H364 PolarHBondContact OD2-CE1 3.44Å; D361-H364 VanDerWaalsContact OD2-CE1 3.23Å; D361-H364 IonicContact OD2-ND1 2.8Å; D361-H364 PolarHBondContact OD2-ND1 3.43Å; D361-K368 WeakPolarHBondContact O-CE 3.36Å; D361-K368 PolarHBondContact O-NZ 3.25Å
362	P	94.2	Very high	97.2	Very high	80 Å²	80	23.3 Å²	23.3	52%	0.519	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-56.6	-28.8	177.7	-25.6	35.2	0	0	0	114.7	W360 H364	W360-P362 WeakPolarHBondContact O-CD 3.37Å; P362-H364 PolarHBondContact O-N 2.99Å
363	E	95.3	Very high	97	Very high	122 Å²	122	23.5 Å²	23.5	57%	0.57	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-78.9	-2.1	179.6	-59.4	-169	153.6	0	0	113.6	R324 D361	R324-E363 PolarHBondContact NH2-O 2.87Å; D361-E363 PolarHBondContact O-N 2.67Å; D361-E363 WeakPolarHBondContact OD1-CB 3.41Å; D361-E363 PolarHBondContact OD1-N 2.88Å
364	H	96.5	Very high	96.7	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.111	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-117.8	39.2	-176.7	-70.7	86.3	0	0	0	112.2	R324 R328 D361 P362 D366 V367 K368	R324-H364 PolarHBondContact NH2-CD2 3.49Å; R324-H364 VanDerWaalsContact NH2-CD2 3.35Å; R328-H364 PolarHBondContact NH2-NE2 2.92Å; R328-H364 VanDerWaalsContact NH2-NE2 3.11Å; D361-H364 HydrophobicContact CB-CB 4.26Å; D361-H364 PolarHBondContact O-N 2.97Å; D361-H364 VanDerWaalsContact O-N 3.1Å; D361-H364 IonicContact OD1-ND1 2.79Å; D361-H364 IonicContact OD2-CE1 3.39Å; D361-H364 PolarHBondContact OD2-CE1 3.44Å; D361-H364 VanDerWaalsContact OD2-CE1 3.23Å; D361-H364 IonicContact OD2-ND1 2.8Å; D361-H364 PolarHBondContact OD2-ND1 3.43Å; P362-H364 PolarHBondContact O-N 2.99Å; H364-D366 PolarHBondContact O-N 3.09Å; H364-V367 HydrophobicContact CB-CB 4.11Å; H364-V367 HydrophobicContact CB-CG2 3.93Å; H364-V367 WeakPolarHBondContact O-CB 3.18Å; H364-V367 PolarHBondContact O-N 3.05Å; H364-K368 WeakPolarHBondContact O-CG 3.14Å; H364-K368 PolarHBondContact O-N 3.02Å
365	S	97.5	Very high	96.6	Very high	21 Å²	21	23.7 Å²	23.7	15%	0.147	11%	0.114	C	C	.	.	H	α-helix	trans	-53.4	-34.9	176.4	52.9	0	0	0	0	113.1	V367 K368 V369 D454	S365-V367 VanDerWaalsContact C-N 3.35Å; S365-V367 PolarHBondContact O-N 3.3Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 2.92Å; S365-V369 WeakPolarHBondContact O-CG2 3.43Å; S365-V369 PolarHBondContact O-N 3.01Å; S365-D454 CarbonylContact C-O 3.56Å; S365-D454 VanDerWaalsContact C-O 3.31Å; S365-D454 PolarHBondContact OG-O 3.09Å
366	D	96.7	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.2	-38.2	176.9	64.4	-38.8	0	0	0	112.3	R324 H364 V369 I370 D454 L456 Y462	R324-D366 IonicContact CZ-OD1 3.66Å; R324-D366 IonicContact CZ-OD2 3.04Å; R324-D366 IonicContact NE-OD1 3.48Å; R324-D366 PolarHBondContact NE-OD1 2.98Å; R324-D366 IonicContact NE-OD2 2.82Å; R324-D366 PolarHBondContact NE-OD2 3.2Å; R324-D366 IonicContact NH2-OD1 3.54Å; R324-D366 PolarHBondContact NH2-OD1 3.08Å; R324-D366 IonicContact NH2-OD2 3.22Å; H364-D366 PolarHBondContact O-N 3.09Å; D366-V369 PolarHBondContact O-N 3.27Å; D366-I370 WeakPolarHBondContact O-CB 3.45Å; D366-I370 WeakPolarHBondContact O-CD1 3.45Å; D366-I370 VanDerWaalsContact O-CG1 3.24Å; D366-I370 WeakPolarHBondContact O-CG1 3.39Å; D366-I370 PolarHBondContact O-N 3.07Å; D366-D454 WeakPolarHBondContact CA-O 3.29Å; D366-D454 VanDerWaalsContact CB-O 3.31Å; D366-D454 WeakPolarHBondContact CB-O 3.47Å; D366-D454 PolarHBondContact N-O 2.96Å; D366-L456 HydrophobicContact CB-CD1 4.44Å; D366-L456 HydrophobicContact CB-CG 4.4Å; D366-Y462 HydrophobicContact CB-CE2 4.33Å; D366-Y462 PolarHBondContact OD2-OH 2.95Å
367	V	96.9	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-42	174.5	-178.7	0	0	0	0	110.6	R324 V325 R328 H359 H364 S365 I370 Q371	R324-V367 HydrophobicContact CB-CG2 3.96Å; R324-V367 WeakPolarHBondContact O-CG2 3.43Å; V325-V367 HydrophobicContact CG2-CG2 4.29Å; R328-V367 HydrophobicContact CG-CG1 4.08Å; H359-V367 HydrophobicContact CB-CG1 4.15Å; H364-V367 HydrophobicContact CB-CB 4.11Å; H364-V367 HydrophobicContact CB-CG2 3.93Å; H364-V367 WeakPolarHBondContact O-CB 3.18Å; H364-V367 PolarHBondContact O-N 3.05Å; S365-V367 VanDerWaalsContact C-N 3.35Å; S365-V367 PolarHBondContact O-N 3.3Å; V367-I370 PolarHBondContact O-N 3.42Å; V367-Q371 HydrophobicContact CG1-CG 4.35Å; V367-Q371 WeakPolarHBondContact O-CB 3.18Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.19Å
368	K	98.1	Very high	95.7	Very high	15 Å²	15	23.8 Å²	23.8	7%	0.065	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-45.1	178	-55.2	-176.7	-169.9	-175.4	0	111.2	I358 H359 W360 D361 H364 S365 T372 N432 V439	I358-K368 HydrophobicContact CG2-CB 3.7Å; I358-K368 HydrophobicContact CG2-CG 3.89Å; H359-K368 WeakPolarHBondContact O-CD 3.42Å; H359-K368 WeakPolarHBondContact O-CE 3.43Å; H359-K368 WeakPolarHBondContact O-CG 3.03Å; W360-K368 WeakPolarHBondContact O-CE 3.4Å; W360-K368 PolarHBondContact O-NZ 3.26Å; D361-K368 WeakPolarHBondContact O-CE 3.36Å; D361-K368 PolarHBondContact O-NZ 3.25Å; H364-K368 WeakPolarHBondContact O-CG 3.14Å; H364-K368 PolarHBondContact O-N 3.02Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 2.92Å; K368-T372 WeakPolarHBondContact O-CB 3.46Å; K368-T372 PolarHBondContact O-N 2.93Å; K368-T372 PolarHBondContact O-OG1 2.92Å; K368-N432 HydrophobicContact CD-CB 4.44Å; K368-N432 WeakPolarHBondContact CD-O 3.45Å; K368-N432 PolarHBondContact NZ-O 3.45Å; K368-V439 HydrophobicContact CB-CG2 3.79Å
369	V	97.6	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-45.5	174.7	172.9	0	0	0	0	111	S365 D366 T372 I373 V439 L448 D454 F455	S365-V369 WeakPolarHBondContact O-CG2 3.43Å; S365-V369 PolarHBondContact O-N 3.01Å; D366-V369 PolarHBondContact O-N 3.27Å; V369-T372 WeakPolarHBondContact O-CB 3Å; V369-T372 PolarHBondContact O-N 3.17Å; V369-I373 HydrophobicContact CG1-CD1 3.77Å; V369-I373 HydrophobicContact CG1-CG1 4.49Å; V369-I373 WeakPolarHBondContact O-CG1 3.14Å; V369-I373 PolarHBondContact O-N 3.43Å; V369-V439 HydrophobicContact CB-CG2 4.45Å; V369-V439 HydrophobicContact CG2-CG2 3.82Å; V369-L448 HydrophobicContact CG1-CD2 3.59Å; V369-L448 HydrophobicContact CG2-CD2 4.36Å; V369-D454 HydrophobicContact CG2-CB 3.9Å; V369-F455 HydrophobicContact CB-CE1 4.27Å; V369-F455 HydrophobicContact CG1-CD1 4.38Å; V369-F455 HydrophobicContact CG1-CE1 3.51Å; V369-F455 HydrophobicContact CG1-CE2 4.21Å; V369-F455 HydrophobicContact CG1-CZ 3.41Å; V369-F455 VanDerWaalsContact CG1-CZ 3.41Å
370	I	95.2	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-45.6	-179.8	-73.7	165.6	0	0	0	112.4	M321 V325 D366 V367 T372 I373 L374 Y462 F464 W467	M321-I370 HydrophobicContact CE-CG2 4.29Å; V325-I370 HydrophobicContact CB-CG2 4.41Å; V325-I370 HydrophobicContact CG1-CB 4.43Å; V325-I370 HydrophobicContact CG1-CG2 3.55Å; V325-I370 HydrophobicContact CG2-CB 4.29Å; V325-I370 HydrophobicContact CG2-CD1 3.64Å; V325-I370 HydrophobicContact CG2-CG2 4Å; D366-I370 WeakPolarHBondContact O-CB 3.45Å; D366-I370 WeakPolarHBondContact O-CD1 3.45Å; D366-I370 VanDerWaalsContact O-CG1 3.24Å; D366-I370 WeakPolarHBondContact O-CG1 3.39Å; D366-I370 PolarHBondContact O-N 3.07Å; V367-I370 PolarHBondContact O-N 3.42Å; I370-T372 PolarHBondContact O-N 2.89Å; I370-I373 PolarHBondContact O-N 2.97Å; I370-I373 VanDerWaalsContact O-N 3.15Å; I370-L374 HydrophobicContact CG2-CD1 3.85Å; I370-L374 HydrophobicContact CG2-CG 4.25Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.29Å; I370-L374 PolarHBondContact O-N 3.22Å; I370-Y462 HydrophobicContact CD1-CD1 3.53Å; I370-Y462 HydrophobicContact CD1-CD2 3.77Å; I370-Y462 HydrophobicContact CD1-CE1 3.16Å; I370-Y462 HydrophobicContact CD1-CE2 3.42Å; I370-Y462 VanDerWaalsContact CD1-CE2 3.42Å; I370-Y462 HydrophobicContact CD1-CG 3.82Å; I370-F464 HydrophobicContact CG1-CZ 4.39Å; I370-W467 HydrophobicContact CG1-CH2 4.36Å; I370-W467 HydrophobicContact CG2-CH2 3.8Å
371	Q	96.1	Very high	94.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.7	-39.3	175	-73.3	-179.7	-17.9	0	0	110.7	F306 N330 I358 V367 L374 W375	F306-Q371 HydrophobicContact CB-CG 4.16Å; F306-Q371 HydrophobicContact CD1-CB 3.9Å; F306-Q371 HydrophobicContact CD1-CG 4.06Å; F306-Q371 HydrophobicContact CD2-CB 4.39Å; F306-Q371 HydrophobicContact CD2-CG 4.13Å; F306-Q371 HydrophobicContact CE1-CB 3.96Å; F306-Q371 WeakPolarHBondContact CE1-O 3.44Å; F306-Q371 HydrophobicContact CE2-CB 4.45Å; F306-Q371 HydrophobicContact CG-CB 4.16Å; F306-Q371 HydrophobicContact CG-CG 3.86Å; F306-Q371 HydrophobicContact CZ-CB 4.25Å; N330-Q371 PolarHBondContact OD1-NE2 3.36Å; I358-Q371 HydrophobicContact CD1-CB 3.71Å; V367-Q371 HydrophobicContact CG1-CG 4.35Å; V367-Q371 WeakPolarHBondContact O-CB 3.18Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.19Å; Q371-L374 PolarHBondContact O-N 3.4Å; Q371-W375 WeakPolarHBondContact O-CB 3.44Å; Q371-W375 PolarHBondContact O-N 3.48Å
372	T	97.1	Very high	94.4	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-41.1	176.1	-54.8	0	0	0	0	112.8	K368 V369 I370 W375 T376 V439 F442 L443	K368-T372 WeakPolarHBondContact O-CB 3.46Å; K368-T372 PolarHBondContact O-N 2.93Å; K368-T372 PolarHBondContact O-OG1 2.92Å; V369-T372 WeakPolarHBondContact O-CB 3Å; V369-T372 PolarHBondContact O-N 3.17Å; I370-T372 PolarHBondContact O-N 2.89Å; T372-W375 PolarHBondContact O-N 3.19Å; T372-T376 WeakPolarHBondContact O-CG2 3.34Å; T372-T376 PolarHBondContact O-N 2.97Å; T372-T376 PolarHBondContact O-OG1 3.35Å; T372-T376 VanDerWaalsContact O-OG1 3.04Å; T372-V439 HydrophobicContact CG2-CG1 4.18Å; T372-V439 WeakPolarHBondContact OG1-CG1 3.29Å; T372-F442 HydrophobicContact CG2-CD1 3.9Å; T372-F442 HydrophobicContact CG2-CE1 4.4Å; T372-L443 HydrophobicContact CG2-CD1 3.9Å; T372-L443 HydrophobicContact CG2-CD2 3.66Å; T372-L443 HydrophobicContact CG2-CG 3.62Å
373	I	94.9	Very high	94.3	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-47.5	174.1	-67.7	156.8	0	0	0	110.5	V369 I370 W375 T376 A377 F442 F455 F464 W467 L470 L480	V369-I373 HydrophobicContact CG1-CD1 3.77Å; V369-I373 HydrophobicContact CG1-CG1 4.49Å; V369-I373 WeakPolarHBondContact O-CG1 3.14Å; V369-I373 PolarHBondContact O-N 3.43Å; I370-I373 PolarHBondContact O-N 2.97Å; I370-I373 VanDerWaalsContact O-N 3.15Å; I373-W375 VanDerWaalsContact C-N 3.34Å; I373-W375 PolarHBondContact O-N 2.8Å; I373-T376 PolarHBondContact O-N 2.82Å; I373-T376 PolarHBondContact O-OG1 3.39Å; I373-T376 VanDerWaalsContact O-OG1 3.06Å; I373-A377 WeakPolarHBondContact O-CB 3.38Å; I373-A377 PolarHBondContact O-N 3.21Å; I373-F442 HydrophobicContact CB-CE1 4.33Å; I373-F442 HydrophobicContact CB-CZ 4.4Å; I373-F442 HydrophobicContact CG1-CD1 4.25Å; I373-F442 HydrophobicContact CG1-CE1 3.71Å; I373-F442 HydrophobicContact CG1-CE2 4.25Å; I373-F442 HydrophobicContact CG1-CZ 3.71Å; I373-F455 HydrophobicContact CD1-CE1 4.44Å; I373-F455 HydrophobicContact CD1-CZ 4.17Å; I373-F464 HydrophobicContact CD1-CE1 3.94Å; I373-F464 HydrophobicContact CD1-CZ 4.22Å; I373-W467 HydrophobicContact CG2-CZ3 4.05Å; I373-L470 HydrophobicContact CG2-CD1 4.19Å; I373-L470 HydrophobicContact CG2-CD2 4.39Å; I373-L480 HydrophobicContact CD1-CD1 3.57Å; I373-L480 HydrophobicContact CG1-CD1 4.5Å
374	L	93.1	Very high	94	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-60.8	-43.9	178	-67	170.8	0	0	0	111.3	F306 C310 M313 I370 Q371 A377 E378 W467	F306-L374 HydrophobicContact CD1-CB 4.18Å; C310-L374 VanDerWaalsContact SG-CD1 3.5Å; M313-L374 HydrophobicContact CE-CD2 3.61Å; M313-L374 HydrophobicContact SD-CD2 3.22Å; M313-L374 WeakPolarHBondContact SD-CD2 3.42Å; I370-L374 HydrophobicContact CG2-CD1 3.85Å; I370-L374 HydrophobicContact CG2-CG 4.25Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.29Å; I370-L374 PolarHBondContact O-N 3.22Å; Q371-L374 PolarHBondContact O-N 3.4Å; L374-A377 PolarHBondContact O-N 3.12Å; L374-E378 WeakPolarHBondContact O-CB 3.2Å; L374-E378 WeakPolarHBondContact O-CG 3.37Å; L374-E378 PolarHBondContact O-N 3.31Å; L374-W467 HydrophobicContact CD2-CE3 4.21Å; L374-W467 HydrophobicContact CD2-CH2 4.43Å; L374-W467 HydrophobicContact CD2-CZ3 3.7Å; L374-W467 HydrophobicContact CG-CZ3 4.19Å
375	W	95.2	Very high	93.5	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-59.1	-53.6	179	-165.6	-5.5	0	0	0	111.5	F306 A332 T354 I358 Q371 T372 I373 A377 L379 L427 L431	F306-W375 HydrophobicContact CE1-CB 3.87Å; F306-W375 HydrophobicContact CE1-CG 4.41Å; F306-W375 HydrophobicContact CZ-CB 4.34Å; F306-W375 HydrophobicContact CZ-CD2 4.49Å; F306-W375 HydrophobicContact CZ-CE3 4.4Å; F306-W375 HydrophobicContact CZ-CG 4.49Å; A332-W375 HydrophobicContact CB-CD2 3.96Å; A332-W375 HydrophobicContact CB-CG 4.34Å; A332-W375 HydrophobicContact CB-CH2 4.45Å; A332-W375 HydrophobicContact CB-CZ2 3.79Å; T354-W375 HydrophobicContact CG2-CZ2 3.72Å; T354-W375 WeakPolarHBondContact OG1-CZ2 3.45Å; T354-W375 PolarHBondContact OG1-NE1 3.07Å; I358-W375 HydrophobicContact CD1-CE3 4.08Å; I358-W375 HydrophobicContact CD1-CZ3 4.33Å; I358-W375 HydrophobicContact CG1-CZ3 4.47Å; Q371-W375 WeakPolarHBondContact O-CB 3.44Å; Q371-W375 PolarHBondContact O-N 3.48Å; T372-W375 PolarHBondContact O-N 3.19Å; I373-W375 VanDerWaalsContact C-N 3.34Å; I373-W375 PolarHBondContact O-N 2.8Å; W375-A377 VanDerWaalsContact C-N 3.32Å; W375-A377 PolarHBondContact O-N 2.67Å; W375-L379 WeakPolarHBondContact O-CB 3.31Å; W375-L379 PolarHBondContact O-N 3.14Å; W375-L427 HydrophobicContact CD2-CD1 4.28Å; W375-L427 HydrophobicContact CE3-CD1 4.46Å; W375-L427 HydrophobicContact CH2-CD2 3.87Å; W375-L427 HydrophobicContact CH2-CG 3.97Å; W375-L427 HydrophobicContact CZ2-CD1 4.41Å; W375-L427 HydrophobicContact CZ2-CD2 4.37Å; W375-L427 HydrophobicContact CZ2-CG 3.94Å; W375-L427 HydrophobicContact CZ3-CD2 4.01Å; W375-L427 HydrophobicContact CZ3-CG 4.36Å; W375-L431 HydrophobicContact CZ3-CD2 3.92Å
376	T	94.6	Very high	93.1	Very high	4 Å²	4	7.4 Å²	7.4	3%	0.025	4%	0.035	C	C	.	.	H	α-helix	trans	-65	-37.7	-177.5	52.9	0	0	0	0	111.8	T372 I373 W380 F442 L443 F484	T372-T376 WeakPolarHBondContact O-CG2 3.34Å; T372-T376 PolarHBondContact O-N 2.97Å; T372-T376 PolarHBondContact O-OG1 3.35Å; T372-T376 VanDerWaalsContact O-OG1 3.04Å; I373-T376 PolarHBondContact O-N 2.82Å; I373-T376 PolarHBondContact O-OG1 3.39Å; I373-T376 VanDerWaalsContact O-OG1 3.06Å; T376-W380 WeakPolarHBondContact O-CB 3.34Å; T376-W380 PolarHBondContact O-N 2.91Å; T376-W380 VanDerWaalsContact O-N 3.1Å; T376-F442 HydrophobicContact CG2-CE1 4.37Å; T376-L443 HydrophobicContact CG2-CD2 3.73Å; T376-F484 HydrophobicContact CG2-CD2 4.43Å; T376-F484 WeakPolarHBondContact O-CE2 3.4Å
377	A	91.9	Very high	92.7	Very high	6 Å²	6	8.8 Å²	8.8	5%	0.05	4%	0.042	C	C	.	.	H	α-helix	trans	-69.3	-49.2	178.8	0	0	0	0	0	112.3	I373 L374 W375 W380 A381 V413 L469 L470	I373-A377 WeakPolarHBondContact O-CB 3.38Å; I373-A377 PolarHBondContact O-N 3.21Å; L374-A377 PolarHBondContact O-N 3.12Å; W375-A377 VanDerWaalsContact C-N 3.32Å; W375-A377 PolarHBondContact O-N 2.67Å; A377-W380 PolarHBondContact O-N 3.46Å; A377-A381 PolarHBondContact O-N 3.2Å; A377-A381 VanDerWaalsContact O-N 3.12Å; A377-V413 HydrophobicContact CB-CG2 3.76Å; A377-V413 WeakPolarHBondContact O-CG2 3.32Å; A377-L469 HydrophobicContact CB-CD2 3.37Å; A377-L469 HydrophobicContact CB-CG 3.84Å; A377-L470 HydrophobicContact CB-CD2 3.87Å
378	E	90.7	Very high	92.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-63	-45.9	176.7	-72.4	-86.1	-173.3	0	0	110.3	S309 L374 W380 A381 Y382 S408 L469	S309-E378 WeakPolarHBondContact CB-OE1 3.45Å; S309-E378 PolarHBondContact OG-OE1 3.5Å; L374-E378 WeakPolarHBondContact O-CB 3.2Å; L374-E378 WeakPolarHBondContact O-CG 3.37Å; L374-E378 PolarHBondContact O-N 3.31Å; E378-W380 VanDerWaalsContact C-N 3.28Å; E378-W380 PolarHBondContact O-N 2.76Å; E378-A381 WeakPolarHBondContact O-CB 3.31Å; E378-A381 PolarHBondContact O-N 3.43Å; E378-Y382 HydrophobicContact CB-CD2 4.34Å; E378-Y382 HydrophobicContact CB-CE2 4.4Å; E378-Y382 VanDerWaalsContact O-CD2 3.23Å; E378-Y382 WeakPolarHBondContact O-CD2 3.48Å; E378-Y382 PolarHBondContact O-N 2.92Å; E378-S408 WeakPolarHBondContact OE1-CB 3.43Å; E378-S408 PolarHBondContact OE1-OG 3.32Å; E378-L469 HydrophobicContact CG-CD2 3.74Å
379	L	92.5	Very high	91.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-52.7	-46.6	177	178.7	60.8	0	0	0	112.1	F302 T354 W375 Y382 I383 V425 F484	F302-L379 HydrophobicContact CE1-CD1 3.68Å; F302-L379 HydrophobicContact CE2-CD1 3.84Å; F302-L379 HydrophobicContact CZ-CD1 3.2Å; T354-L379 HydrophobicContact CG2-CD2 3.95Å; W375-L379 WeakPolarHBondContact O-CB 3.31Å; W375-L379 PolarHBondContact O-N 3.14Å; L379-Y382 PolarHBondContact O-N 3.1Å; L379-I383 HydrophobicContact CD1-CD1 3.85Å; L379-I383 HydrophobicContact CD1-CG1 4.23Å; L379-I383 HydrophobicContact CG-CD1 3.88Å; L379-I383 VanDerWaalsContact O-CG1 3.27Å; L379-I383 WeakPolarHBondContact O-CG1 3.41Å; L379-I383 PolarHBondContact O-N 2.96Å; L379-V425 HydrophobicContact CD2-CG1 3.92Å; L379-F484 HydrophobicContact CB-CE2 4.44Å; L379-F484 HydrophobicContact CB-CZ 4.35Å; L379-F484 HydrophobicContact CD2-CE2 3.98Å; L379-F484 HydrophobicContact CD2-CZ 3.8Å; L379-F484 HydrophobicContact CG-CE2 4.25Å; L379-F484 HydrophobicContact CG-CZ 3.81Å
380	W	91.6	Very high	89.5	Confident	6 Å²	6	18.1 Å²	18.1	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-44.1	177.8	-173.5	-88.5	0	0	0	112.2	T376 A377 E378 I383 D384 V413 P414 A420 A421 R483 F484	T376-W380 WeakPolarHBondContact O-CB 3.34Å; T376-W380 PolarHBondContact O-N 2.91Å; T376-W380 VanDerWaalsContact O-N 3.1Å; A377-W380 PolarHBondContact O-N 3.46Å; E378-W380 VanDerWaalsContact C-N 3.28Å; E378-W380 PolarHBondContact O-N 2.76Å; W380-I383 PolarHBondContact O-N 2.82Å; W380-D384 WeakPolarHBondContact O-CB 3.33Å; W380-D384 PolarHBondContact O-N 3.02Å; W380-V413 HydrophobicContact CB-CG1 4.32Å; W380-V413 HydrophobicContact CG-CG1 4Å; W380-P414 PolarHBondContact NE1-O 3.31Å; W380-A420 HydrophobicContact CD2-CB 3.87Å; W380-A420 HydrophobicContact CE3-CB 4.17Å; W380-A420 HydrophobicContact CG-CB 4.3Å; W380-A420 HydrophobicContact CH2-CB 4.43Å; W380-A420 HydrophobicContact CZ2-CB 4.16Å; W380-A420 HydrophobicContact CZ3-CB 4.43Å; W380-A421 VanDerWaalsContact CH2-CA 3.4Å; W380-A421 HydrophobicContact CH2-CB 3.64Å; W380-A421 HydrophobicContact CZ2-CB 4.25Å; W380-R483 HydrophobicContact CE3-CB 4.21Å; W380-R483 HydrophobicContact CH2-CB 3.33Å; W380-R483 HydrophobicContact CH2-CG 4.18Å; W380-R483 HydrophobicContact CZ2-CB 3.95Å; W380-R483 HydrophobicContact CZ2-CG 4.36Å; W380-R483 HydrophobicContact CZ3-CB 3.5Å; W380-R483 VanDerWaalsContact CZ3-CB 3.5Å; W380-F484 HydrophobicContact CB-CE2 4.28Å; W380-F484 HydrophobicContact CB-CZ 4.12Å; W380-F484 HydrophobicContact CD2-CZ 4.49Å; W380-F484 HydrophobicContact CE3-CD1 4.17Å; W380-F484 HydrophobicContact CE3-CD2 4.46Å; W380-F484 AromaticContact CE3-CE1 3.68Å; W380-F484 HydrophobicContact CE3-CE1 3.68Å; W380-F484 HydrophobicContact CE3-CE2 4.03Å; W380-F484 AromaticContact CE3-CZ 3.61Å; W380-F484 HydrophobicContact CE3-CZ 3.61Å; W380-F484 HydrophobicContact CZ3-CD1 4.24Å; W380-F484 HydrophobicContact CZ3-CE1 4.09Å; W380-F484 HydrophobicContact CZ3-CZ 4.45Å
381	A	88.3	Confident	87.5	Confident	2 Å²	2	28.6 Å²	28.6	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-64.5	-42.7	177.4	0	0	0	0	0	112.6	A377 E378 D384 Q385 L469	A377-A381 PolarHBondContact O-N 3.2Å; A377-A381 VanDerWaalsContact O-N 3.12Å; E378-A381 WeakPolarHBondContact O-CB 3.31Å; E378-A381 PolarHBondContact O-N 3.43Å; A381-D384 PolarHBondContact O-N 2.89Å; A381-Q385 PolarHBondContact O-N 3.17Å; A381-L469 HydrophobicContact CB-CD1 4.38Å
382	Y	89.4	Confident	85.1	Confident	23 Å²	23	33.5 Å²	33.5	9%	0.09	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-48	175.5	-88.8	-80.8	0	0	0	111.8	F302 E378 L379 D384 Q385 F386 L407	F302-Y382 HydrophobicContact CB-CD1 3.5Å; F302-Y382 HydrophobicContact CB-CD2 4.25Å; F302-Y382 HydrophobicContact CB-CE1 3.64Å; F302-Y382 HydrophobicContact CB-CE2 4.42Å; F302-Y382 HydrophobicContact CB-CG 3.85Å; F302-Y382 HydrophobicContact CD2-CD2 4.43Å; F302-Y382 HydrophobicContact CG-CD1 4.34Å; F302-Y382 HydrophobicContact CG-CD2 4.49Å; F302-Y382 HydrophobicContact CG-CG 4.22Å; E378-Y382 HydrophobicContact CB-CD2 4.34Å; E378-Y382 HydrophobicContact CB-CE2 4.4Å; E378-Y382 VanDerWaalsContact O-CD2 3.23Å; E378-Y382 WeakPolarHBondContact O-CD2 3.48Å; E378-Y382 PolarHBondContact O-N 2.92Å; L379-Y382 PolarHBondContact O-N 3.1Å; Y382-D384 PolarHBondContact O-N 3.37Å; Y382-Q385 PolarHBondContact O-N 2.82Å; Y382-F386 WeakPolarHBondContact O-CB 3.37Å; Y382-F386 PolarHBondContact O-N 3.33Å; Y382-L407 HydrophobicContact CD1-CD1 3.33Å; Y382-L407 HydrophobicContact CD2-CD1 4.34Å; Y382-L407 HydrophobicContact CE1-CB 4.45Å; Y382-L407 HydrophobicContact CE1-CD1 3.03Å; Y382-L407 HydrophobicContact CE1-CG 4.33Å; Y382-L407 HydrophobicContact CE2-CB 4.07Å; Y382-L407 HydrophobicContact CE2-CD1 4.08Å; Y382-L407 HydrophobicContact CG-CD1 3.99Å; Y382-L407 VanDerWaalsContact CZ-CD1 3.42Å
383	I	91.2	Very high	82.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-45.4	179.6	-69.2	168.9	0	0	0	110.7	C352 L379 W380 Q385 F386 L387 A420 M423 V425 F484	C352-I383 HydrophobicContact CB-CD1 4.31Å; L379-I383 HydrophobicContact CD1-CD1 3.85Å; L379-I383 HydrophobicContact CD1-CG1 4.23Å; L379-I383 HydrophobicContact CG-CD1 3.88Å; L379-I383 VanDerWaalsContact O-CG1 3.27Å; L379-I383 WeakPolarHBondContact O-CG1 3.41Å; L379-I383 PolarHBondContact O-N 2.96Å; W380-I383 PolarHBondContact O-N 2.82Å; I383-Q385 PolarHBondContact O-N 2.62Å; I383-F386 PolarHBondContact O-N 3.21Å; I383-L387 HydrophobicContact CG2-CD1 3.84Å; I383-L387 HydrophobicContact CG2-CG 4.37Å; I383-L387 WeakPolarHBondContact O-CB 3.42Å; I383-L387 WeakPolarHBondContact O-CG 3.48Å; I383-L387 PolarHBondContact O-N 2.92Å; I383-A420 HydrophobicContact CB-CB 4.05Å; I383-A420 HydrophobicContact CG2-CB 3.66Å; I383-M423 HydrophobicContact CD1-CB 4.4Å; I383-M423 HydrophobicContact CD1-CG 4.03Å; I383-M423 HydrophobicContact CG1-CG 4.38Å; I383-M423 HydrophobicContact CG2-CB 3.49Å; I383-M423 VanDerWaalsContact CG2-CB 3.49Å; I383-M423 HydrophobicContact CG2-CE 4.19Å; I383-M423 HydrophobicContact CG2-CG 3.74Å; I383-V425 HydrophobicContact CD1-CG2 3.75Å; I383-F484 HydrophobicContact CD1-CE1 4.22Å; I383-F484 HydrophobicContact CD1-CZ 4.26Å
384	D	89.2	Confident	80.1	Confident	2 Å²	2	39 Å²	39	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-45.7	179	176.6	88.8	0	0	0	112	W380 A381 Y382 L387 K388 P414 S418 P419 A420	W380-D384 WeakPolarHBondContact O-CB 3.33Å; W380-D384 PolarHBondContact O-N 3.02Å; A381-D384 PolarHBondContact O-N 2.89Å; Y382-D384 PolarHBondContact O-N 3.37Å; D384-L387 PolarHBondContact O-N 3.2Å; D384-K388 WeakPolarHBondContact O-CG 3.45Å; D384-K388 PolarHBondContact O-N 3.22Å; D384-K388 VanDerWaalsContact OD1-CE 3.28Å; D384-K388 WeakPolarHBondContact OD1-CE 3.21Å; D384-K388 IonicContact OD1-NZ 3.27Å; D384-K388 PolarHBondContact OD1-NZ 3.15Å; D384-K388 WeakPolarHBondContact OD2-CD 3.46Å; D384-K388 WeakPolarHBondContact OD2-CE 3.16Å; D384-K388 IonicContact OD2-NZ 2.65Å; D384-K388 PolarHBondContact OD2-NZ 3Å; D384-P414 HydrophobicContact CB-CB 4.22Å; D384-P414 HydrophobicContact CB-CG 3.67Å; D384-P414 VanDerWaalsContact OD2-CG 3.27Å; D384-P414 WeakPolarHBondContact OD2-CG 3.28Å; D384-S418 WeakPolarHBondContact CB-OG 3.44Å; D384-S418 WeakPolarHBondContact OD1-CB 3.4Å; D384-S418 PolarHBondContact OD1-OG 3.17Å; D384-P419 WeakPolarHBondContact OD1-CD 3.48Å; D384-A420 HydrophobicContact CB-CB 4.12Å
385	Q	86.7	Confident	77.6	Confident	69 Å²	69	49 Å²	49	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-44.4	178.5	-170.1	-163.6	16.2	0	0	111.7	A381 Y382 I383 L387 K388 T389 L407 I411	A381-Q385 PolarHBondContact O-N 3.17Å; Y382-Q385 PolarHBondContact O-N 2.82Å; I383-Q385 PolarHBondContact O-N 2.62Å; Q385-L387 PolarHBondContact O-N 3.21Å; Q385-K388 PolarHBondContact O-N 2.92Å; Q385-T389 WeakPolarHBondContact O-CB 3.44Å; Q385-T389 PolarHBondContact O-N 2.78Å; Q385-T389 PolarHBondContact O-OG1 3.17Å; Q385-L407 HydrophobicContact CB-CD2 4.25Å; Q385-L407 HydrophobicContact CG-CD2 4.38Å; Q385-I411 HydrophobicContact CG-CD1 4.46Å
386	F	89	Confident	74.9	Confident	18 Å²	18	57.6 Å²	57.6	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-56.8	-49.8	176.1	169.2	-100.3	0	0	0	110.9	L299 H300 I336 Y382 I383 K388 T389 S390 M423	L299-F386 HydrophobicContact CB-CE2 4.1Å; L299-F386 HydrophobicContact CB-CZ 3.87Å; L299-F386 HydrophobicContact CD1-CZ 3.85Å; H300-F386 HydrophobicContact CB-CD2 3.73Å; H300-F386 HydrophobicContact CB-CE2 3.84Å; H300-F386 AromaticContact CG-CD2 3.97Å; I336-F386 HydrophobicContact CD1-CB 3.91Å; I336-F386 HydrophobicContact CD1-CD1 3.47Å; I336-F386 VanDerWaalsContact CD1-CD1 3.47Å; I336-F386 HydrophobicContact CD1-CD2 4.18Å; I336-F386 HydrophobicContact CD1-CE1 4.02Å; I336-F386 HydrophobicContact CD1-CG 3.56Å; I336-F386 HydrophobicContact CG2-CD1 4.31Å; I336-F386 HydrophobicContact CG2-CE1 3.79Å; I336-F386 HydrophobicContact CG2-CZ 4.08Å; Y382-F386 WeakPolarHBondContact O-CB 3.37Å; Y382-F386 PolarHBondContact O-N 3.33Å; I383-F386 PolarHBondContact O-N 3.21Å; F386-K388 VanDerWaalsContact C-N 3.33Å; F386-K388 PolarHBondContact O-N 2.78Å; F386-T389 PolarHBondContact O-N 2.87Å; F386-S390 WeakPolarHBondContact CE2-OG 3.49Å; F386-S390 WeakPolarHBondContact O-CB 3.35Å; F386-S390 PolarHBondContact O-N 2.82Å; F386-S390 PolarHBondContact O-OG 2.91Å; F386-M423 HydrophobicContact CD1-CE 4.34Å; F386-M423 HydrophobicContact CE1-CE 4.34Å
387	L	88	Confident	72.1	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-32.3	-178.5	-70.3	175.3	0	0	0	113.3	I383 D384 Q385 P419 M423	I383-L387 HydrophobicContact CG2-CD1 3.84Å; I383-L387 HydrophobicContact CG2-CG 4.37Å; I383-L387 WeakPolarHBondContact O-CB 3.42Å; I383-L387 WeakPolarHBondContact O-CG 3.48Å; I383-L387 PolarHBondContact O-N 2.92Å; D384-L387 PolarHBondContact O-N 3.2Å; Q385-L387 PolarHBondContact O-N 3.21Å; L387-P419 HydrophobicContact CB-CB 3.9Å; L387-P419 VanDerWaalsContact CD1-C 3.48Å; L387-P419 HydrophobicContact CD1-CB 3.7Å; L387-P419 VanDerWaalsContact CD1-O 3.29Å; L387-P419 WeakPolarHBondContact CD1-O 3.39Å; L387-P419 HydrophobicContact CG-CB 4.46Å; L387-M423 HydrophobicContact CD1-CE 4.27Å; L387-M423 HydrophobicContact CD2-CE 3.83Å; L387-M423 HydrophobicContact CG-CE 4.18Å
388	K	84.7	Confident	69.2	Low	112 Å²	112	65.4 Å²	65.4	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-72.2	-42.8	174.5	-75	174.1	179.4	165.1	0	112.3	D384 Q385 F386	D384-K388 WeakPolarHBondContact O-CG 3.45Å; D384-K388 PolarHBondContact O-N 3.22Å; D384-K388 VanDerWaalsContact OD1-CE 3.28Å; D384-K388 WeakPolarHBondContact OD1-CE 3.21Å; D384-K388 IonicContact OD1-NZ 3.27Å; D384-K388 PolarHBondContact OD1-NZ 3.15Å; D384-K388 WeakPolarHBondContact OD2-CD 3.46Å; D384-K388 WeakPolarHBondContact OD2-CE 3.16Å; D384-K388 IonicContact OD2-NZ 2.65Å; D384-K388 PolarHBondContact OD2-NZ 3Å; Q385-K388 PolarHBondContact O-N 2.92Å; F386-K388 VanDerWaalsContact C-N 3.33Å; F386-K388 PolarHBondContact O-N 2.78Å
389	T	77.6	Confident	66.7	Low	50 Å²	50	71.1 Å²	71.1	31%	0.307	38%	0.379	S	S	.	.	H	α-helix	trans	-70.3	-38.8	-178.4	-50	0	0	0	0	111.3	Q385 F386 R391 S392 A393 L397	Q385-T389 WeakPolarHBondContact O-CB 3.44Å; Q385-T389 PolarHBondContact O-N 2.78Å; Q385-T389 PolarHBondContact O-OG1 3.17Å; F386-T389 PolarHBondContact O-N 2.87Å; T389-R391 VanDerWaalsContact C-N 3.25Å; T389-R391 PolarHBondContact O-N 3.01Å; T389-S392 PolarHBondContact O-N 3.25Å; T389-A393 PolarHBondContact O-N 2.72Å; T389-L397 HydrophobicContact CG2-CD1 4.19Å
390	S	62.6	Low	64	Low	49 Å²	49	76.2 Å²	76.2	34%	0.343	41%	0.411	S	S	.	.	H	α-helix	trans	-67.1	-21	-177.6	-74.2	0	0	0	0	114.4	F386 S392	F386-S390 WeakPolarHBondContact CE2-OG 3.49Å; F386-S390 WeakPolarHBondContact O-CB 3.35Å; F386-S390 PolarHBondContact O-N 2.82Å; F386-S390 PolarHBondContact O-OG 2.91Å; S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.49Å
391	R	52.9	Low	61.3	Low	220 Å²	220	82.4 Å²	82.4	83%	0.83	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.9	175.9	-72.3	-175.4	178.5	-171.9	0	114.4	T389	T389-R391 VanDerWaalsContact C-N 3.25Å; T389-R391 PolarHBondContact O-N 3.01Å
392	S	45.3	Very low	58.8	Low	103 Å²	103	84.5 Å²	84.5	72%	0.72	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	-12.8	-173.9	46.2	0	0	0	0	117	T389 S390	T389-S392 PolarHBondContact O-N 3.25Å; S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.49Å
393	A	45.8	Very low	56.6	Low	52 Å²	52	93.3 Å²	93.3	43%	0.43	49%	0.491	S	S	.	.			trans	-148.5	10.2	-172.7	0	0	0	0	0	117.9	T389 K395 Q396	T389-A393 PolarHBondContact O-N 2.72Å; A393-K395 PolarHBondContact O-N 2.97Å; A393-Q396 PolarHBondContact O-N 3.33Å
394	A	42.3	Very low	54.5	Low	70 Å²	70	95.8 Å²	95.8	58%	0.579	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.5	-163.7	0	0	0	0	0	118.2
395	K	39.4	Very low	52.6	Low	212 Å²	212	100.3 Å²	100.3	92%	0.922	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.3	179.1	-85.5	-175.4	176.5	179.5	0	115.3	A393	A393-K395 PolarHBondContact O-N 2.97Å
396	Q	38.5	Very low	51	Low	182 Å²	182	98 Å²	98	85%	0.85	53%	0.527	S	S	*	.	S	Bend	trans	-129.2	3.2	-174.8	-76	-168.1	-4.4	0	0	117	A393 S398	A393-Q396 PolarHBondContact O-N 3.33Å; Q396-S398 PolarHBondContact O-N 2.93Å
397	L	37.2	Very low	49.3	Very low	108 Å²	108	98.3 Å²	98.3	57%	0.565	53%	0.53	S	S	*	.			trans	-89.5	102.5	171.3	-86.9	107.5	0	0	0	111	T389 L401	T389-L397 HydrophobicContact CG2-CD1 4.19Å; L397-L401 HydrophobicContact CD2-CD1 3.81Å
398	S	30.9	Very low	47.5	Very low	66 Å²	66	97.3 Å²	97.3	46%	0.462	53%	0.525	S	S	.	.			trans	-54.3	147.2	163.8	49.2	0	0	0	0	110.9	Q396 T400	Q396-S398 PolarHBondContact O-N 2.93Å; S398-T400 PolarHBondContact O-N 2.96Å; S398-T400 PolarHBondContact OG-OG1 3.47Å; S398-T400 VanDerWaalsContact OG-OG1 3.14Å
399	P	38.1	Very low	45.8	Very low	120 Å²	120	95.1 Å²	95.1	78%	0.779	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-64	3.8	-176.6	-11.4	21.7	0	0	0	115.4
400	T	34.7	Very low	44.8	Very low	108 Å²	108	101.4 Å²	101.4	66%	0.663	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-91.3	6	-168.6	41	0	0	0	0	115	S398	S398-T400 PolarHBondContact O-N 2.96Å; S398-T400 PolarHBondContact OG-OG1 3.47Å; S398-T400 VanDerWaalsContact OG-OG1 3.14Å
401	L	35.5	Very low	44.7	Very low	136 Å²	136	101.9 Å²	101.9	71%	0.712	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-98.4	5.1	177.4	-84.7	159	0	0	0	115	L397 R403	L397-L401 HydrophobicContact CD2-CD1 3.81Å; L401-R403 PolarHBondContact O-N 2.69Å
402	S	35.5	Very low	45.2	Very low	47 Å²	47	94.3 Å²	94.3	33%	0.329	52%	0.524	S	S	.	.			trans	-75.7	26.5	170.9	65.8	0	0	0	0	113.8	E301 S404	E301-S402 PolarHBondContact OE1-OG 3.43Å; E301-S402 VanDerWaalsContact OE1-OG 3.1Å; S402-S404 PolarHBondContact O-N 3.32Å; S402-S404 VanDerWaalsContact O-N 3.08Å
403	R	42.7	Very low	46.1	Very low	208 Å²	208	89.6 Å²	89.6	79%	0.785	49%	0.491	S	S	*	.			trans	-83	90.2	-176	-158.2	175.8	174.5	-177.2	-2.3	110.5	L401 V405	L401-R403 PolarHBondContact O-N 2.69Å; R403-V405 PolarHBondContact O-N 3.43Å
404	S	48.3	Very low	47.3	Very low	52 Å²	52	87.5 Å²	87.5	36%	0.364	47%	0.473	S	S	.	.	S	Bend	trans	56.3	-3.6	144.8	57.1	0	0	0	0	121.4	S402	S402-S404 PolarHBondContact O-N 3.32Å; S402-S404 VanDerWaalsContact O-N 3.08Å
405	V	48.9	Very low	48.8	Very low	96 Å²	96	85.3 Å²	85.3	58%	0.582	46%	0.457	S	S	*	.			trans	-95.7	121.6	-177.3	-176.9	0	0	0	0	108.5	R403 L407	R403-V405 PolarHBondContact O-N 3.43Å; V405-L407 PolarHBondContact O-N 3.43Å
406	P	52.4	Low	50.4	Low	22 Å²	22	77.3 Å²	77.3	14%	0.143	43%	0.427	C	S	.	.			trans	-53.5	132.9	172.1	-22.9	31.3	0	0	0	110.7	L308 S312 S408 S409	L308-P406 HydrophobicContact CB-CG 3.63Å; S312-P406 WeakPolarHBondContact OG-CB 3.34Å; P406-S408 WeakPolarHBondContact CB-OG 3.32Å; P406-S408 PolarHBondContact O-N 3.08Å; P406-S409 PolarHBondContact O-N 3.34Å; P406-S409 PolarHBondContact O-OG 2.99Å; P406-S409 VanDerWaalsContact O-OG 3.09Å
407	L	54.3	Low	52.3	Low	24 Å²	24	78.2 Å²	78.2	13%	0.126	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.7	177.2	-123.5	118.5	0	0	0	111.8	Y382 Q385 V405 S409 K410 I411	Y382-L407 HydrophobicContact CD1-CD1 3.33Å; Y382-L407 HydrophobicContact CD2-CD1 4.34Å; Y382-L407 HydrophobicContact CE1-CB 4.45Å; Y382-L407 HydrophobicContact CE1-CD1 3.03Å; Y382-L407 HydrophobicContact CE1-CG 4.33Å; Y382-L407 HydrophobicContact CE2-CB 4.07Å; Y382-L407 HydrophobicContact CE2-CD1 4.08Å; Y382-L407 HydrophobicContact CG-CD1 3.99Å; Y382-L407 VanDerWaalsContact CZ-CD1 3.42Å; Q385-L407 HydrophobicContact CB-CD2 4.25Å; Q385-L407 HydrophobicContact CG-CD2 4.38Å; V405-L407 PolarHBondContact O-N 3.43Å; L407-S409 PolarHBondContact O-N 2.96Å; L407-K410 PolarHBondContact O-N 3.47Å; L407-I411 HydrophobicContact CD2-CD1 4.04Å
408	S	49.8	Very low	54.5	Low	7 Å²	7	73.5 Å²	73.5	5%	0.049	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-56	-10.2	173.9	46	0	0	0	0	115.6	S312 E378 P406 K410	S312-S408 WeakPolarHBondContact CB-OG 3.24Å; S312-S408 PolarHBondContact OG-OG 3.19Å; E378-S408 WeakPolarHBondContact OE1-CB 3.43Å; E378-S408 PolarHBondContact OE1-OG 3.32Å; P406-S408 WeakPolarHBondContact CB-OG 3.32Å; P406-S408 PolarHBondContact O-N 3.08Å; S408-K410 PolarHBondContact O-N 3.25Å
409	S	49.8	Very low	57.1	Low	66 Å²	66	72.3 Å²	72.3	46%	0.462	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-69.1	-15.4	166.6	58.7	0	0	0	0	114	P406 L407	P406-S409 PolarHBondContact O-N 3.34Å; P406-S409 PolarHBondContact O-OG 2.99Å; P406-S409 VanDerWaalsContact O-OG 3.09Å; L407-S409 PolarHBondContact O-N 2.96Å
410	K	55.1	Low	59.5	Low	182 Å²	182	66.6 Å²	66.6	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-25.4	-168.6	-68.5	-176	-178.9	179.2	0	116.7	L407 S408	L407-K410 PolarHBondContact O-N 3.47Å; S408-K410 PolarHBondContact O-N 3.25Å
411	I	60.6	Low	62	Low	58 Å²	58	62.6 Å²	62.6	30%	0.297	34%	0.336	S	S	.	.			trans	-142.4	122	-168.9	-45.9	179.9	0	0	0	111	Q385 L407	Q385-I411 HydrophobicContact CG-CD1 4.46Å; L407-I411 HydrophobicContact CD2-CD1 4.04Å
412	P	64.3	Low	64.6	Low	61 Å²	61	61.4 Å²	61.4	40%	0.396	33%	0.33	S	S	.	.			trans	-67.4	155.3	170.4	29.8	-34.3	0	0	0	110.8	P414 K468 E471	P412-P414 WeakPolarHBondContact O-CD 3.41Å; P412-P414 VanDerWaalsContact O-N 3.08Å; P412-K468 WeakPolarHBondContact CB-O 3.44Å; P412-E471 HydrophobicContact CB-CG 4.04Å
413	V	64.6	Low	67.3	Low	4 Å²	4	59.5 Å²	59.5	2%	0.024	32%	0.316	C	S	.	.			trans	-56.7	114.5	-180	171.8	0	0	0	0	109.2	A377 W380 L469 E471 W473	A377-V413 HydrophobicContact CB-CG2 3.76Å; A377-V413 WeakPolarHBondContact O-CG2 3.32Å; W380-V413 HydrophobicContact CB-CG1 4.32Å; W380-V413 HydrophobicContact CG-CG1 4Å; V413-L469 WeakPolarHBondContact CA-O 3.12Å; V413-L469 WeakPolarHBondContact CB-O 3.39Å; V413-L469 HydrophobicContact CG2-CB 4.5Å; V413-L469 HydrophobicContact CG2-CD1 3.63Å; V413-L469 HydrophobicContact CG2-CD2 4.45Å; V413-L469 HydrophobicContact CG2-CG 3.53Å; V413-L469 WeakPolarHBondContact CG2-O 3.38Å; V413-L469 PolarHBondContact N-O 3.37Å; V413-E471 WeakPolarHBondContact O-CG 3.41Å; V413-W473 HydrophobicContact CG1-CH2 4.3Å; V413-W473 HydrophobicContact CG1-CZ2 3.53Å
414	P	70.2	Confident	69.9	Low	9 Å²	9	50.3 Å²	50.3	6%	0.058	28%	0.283	C	S	.	.			trans	-56.8	144.4	-176.9	-32.3	41.4	0	0	0	112.5	W380 D384 P412	W380-P414 PolarHBondContact NE1-O 3.31Å; D384-P414 HydrophobicContact CB-CB 4.22Å; D384-P414 HydrophobicContact CB-CG 3.67Å; D384-P414 VanDerWaalsContact OD2-CG 3.27Å; D384-P414 WeakPolarHBondContact OD2-CG 3.28Å; P412-P414 WeakPolarHBondContact O-CD 3.41Å; P412-P414 VanDerWaalsContact O-N 3.08Å
415	G	74.6	Confident	72.3	Confident	23 Å²	23	47.8 Å²	47.8	24%	0.237	27%	0.266	C	S	.	.			trans	-52.3	170	178.6	0	0	0	0	0	115.2	F417 S418 E471	G415-F417 PolarHBondContact O-N 3.39Å; G415-S418 WeakPolarHBondContact O-CB 3.49Å; G415-S418 PolarHBondContact O-N 2.69Å; G415-E471 PolarHBondContact N-OE2 2.99Å
416	P	72.1	Confident	74.6	Confident	44 Å²	44	43.2 Å²	43.2	29%	0.286	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	-175.2	25	-35.2	0	0	0	114.8	S418	P416-S418 VanDerWaalsContact C-N 3.28Å
417	F	78.7	Confident	76.8	Confident	201 Å²	201	42.2 Å²	42.2	88%	0.882	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	9.1	176.5	-53.3	-70.4	0	0	0	113.1	G415	G415-F417 PolarHBondContact O-N 3.39Å
418	S	83.3	Confident	79	Confident	9 Å²	9	41 Å²	41	6%	0.063	23%	0.226	C	C	.	.	S	Bend	trans	-58.7	143.9	174.1	166.9	0	0	0	0	111.5	D384 G415 P416 A420 A421	D384-S418 WeakPolarHBondContact CB-OG 3.44Å; D384-S418 WeakPolarHBondContact OD1-CB 3.4Å; D384-S418 PolarHBondContact OD1-OG 3.17Å; G415-S418 WeakPolarHBondContact O-CB 3.49Å; G415-S418 PolarHBondContact O-N 2.69Å; P416-S418 VanDerWaalsContact C-N 3.28Å; S418-A420 PolarHBondContact O-N 3.21Å; S418-A420 VanDerWaalsContact OG-CB 3.31Å; S418-A420 WeakPolarHBondContact OG-CB 3.33Å; S418-A420 PolarHBondContact OG-N 2.85Å; S418-A421 WeakPolarHBondContact O-CB 3.49Å; S418-A421 PolarHBondContact O-N 2.88Å
419	P	86.1	Confident	81.3	Confident	41 Å²	41	40.7 Å²	40.7	27%	0.266	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-50.1	-26.4	167.5	-27.5	35	0	0	0	114	D384 L387 A421 N422	D384-P419 WeakPolarHBondContact OD1-CD 3.48Å; L387-P419 HydrophobicContact CB-CB 3.9Å; L387-P419 VanDerWaalsContact CD1-C 3.48Å; L387-P419 HydrophobicContact CD1-CB 3.7Å; L387-P419 VanDerWaalsContact CD1-O 3.29Å; L387-P419 WeakPolarHBondContact CD1-O 3.39Å; L387-P419 HydrophobicContact CG-CB 4.46Å; P419-A421 PolarHBondContact O-N 2.92Å; P419-N422 PolarHBondContact O-N 3Å
420	A	88	Confident	83.6	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59.2	-26.9	177.8	0	0	0	0	0	113.5	W380 I383 D384 S418 N422 M423	W380-A420 HydrophobicContact CD2-CB 3.87Å; W380-A420 HydrophobicContact CE3-CB 4.17Å; W380-A420 HydrophobicContact CG-CB 4.3Å; W380-A420 HydrophobicContact CH2-CB 4.43Å; W380-A420 HydrophobicContact CZ2-CB 4.16Å; W380-A420 HydrophobicContact CZ3-CB 4.43Å; I383-A420 HydrophobicContact CB-CB 4.05Å; I383-A420 HydrophobicContact CG2-CB 3.66Å; D384-A420 HydrophobicContact CB-CB 4.12Å; S418-A420 PolarHBondContact O-N 3.21Å; S418-A420 VanDerWaalsContact OG-CB 3.31Å; S418-A420 WeakPolarHBondContact OG-CB 3.33Å; S418-A420 PolarHBondContact OG-N 2.85Å; A420-N422 PolarHBondContact O-N 3.18Å; A420-N422 VanDerWaalsContact O-N 3.15Å; A420-M423 PolarHBondContact O-N 3.4Å; A420-M423 VanDerWaalsContact O-N 3.12Å
421	A	87.7	Confident	85.7	Confident	24 Å²	24	29 Å²	29	20%	0.198	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-60	-24.5	175.3	0	0	0	0	0	113.5	W380 S418 P419	W380-A421 VanDerWaalsContact CH2-CA 3.4Å; W380-A421 HydrophobicContact CH2-CB 3.64Å; W380-A421 HydrophobicContact CZ2-CB 4.25Å; S418-A421 WeakPolarHBondContact O-CB 3.49Å; S418-A421 PolarHBondContact O-N 2.88Å; P419-A421 PolarHBondContact O-N 2.92Å
422	N	88.8	Confident	87.5	Confident	111 Å²	111	27.4 Å²	27.4	59%	0.594	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-98.1	0.8	-178.4	-60.1	-47.5	0	0	0	113.2	P419 A420 P424	P419-N422 PolarHBondContact O-N 3Å; A420-N422 PolarHBondContact O-N 3.18Å; A420-N422 VanDerWaalsContact O-N 3.15Å; N422-P424 WeakPolarHBondContact O-CD 3.35Å
423	M	93.8	Very high	89.1	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.03	14%	0.14	C	C	.	.	S	Bend	trans	-80	123.6	175.4	-178.7	60.4	75.7	0	0	109.5	I336 C352 I383 F386 L387 A420 V425	I336-M423 HydrophobicContact CG2-CE 4.07Å; C352-M423 HydrophobicContact CB-CG 4.13Å; I383-M423 HydrophobicContact CD1-CB 4.4Å; I383-M423 HydrophobicContact CD1-CG 4.03Å; I383-M423 HydrophobicContact CG1-CG 4.38Å; I383-M423 HydrophobicContact CG2-CB 3.49Å; I383-M423 VanDerWaalsContact CG2-CB 3.49Å; I383-M423 HydrophobicContact CG2-CE 4.19Å; I383-M423 HydrophobicContact CG2-CG 3.74Å; F386-M423 HydrophobicContact CD1-CE 4.34Å; F386-M423 HydrophobicContact CE1-CE 4.34Å; L387-M423 HydrophobicContact CD1-CE 4.27Å; L387-M423 HydrophobicContact CD2-CE 3.83Å; L387-M423 HydrophobicContact CG-CE 4.18Å; A420-M423 PolarHBondContact O-N 3.4Å; A420-M423 VanDerWaalsContact O-N 3.12Å; M423-V425 HydrophobicContact CB-CG2 4.45Å; M423-V425 HydrophobicContact CG-CG2 4.07Å; M423-V425 PolarHBondContact O-N 2.91Å
424	P	96.9	Very high	90.6	Very high	15 Å²	15	26.9 Å²	26.9	10%	0.097	15%	0.15	C	C	.	.			trans	-63	126.7	165.7	-19.7	33	0	0	0	110.1	Q350 F351 C352 N422 H518 F519 L559	Q350-P424 WeakPolarHBondContact O-CD 3.38Å; F351-P424 CarbonylContact C-O 3.28Å; F351-P424 WeakPolarHBondContact CA-O 3.42Å; F351-P424 HydrophobicContact CB-CB 3.78Å; F351-P424 HydrophobicContact CB-CG 4.32Å; C352-P424 PolarHBondContact N-O 3.38Å; N422-P424 WeakPolarHBondContact O-CD 3.35Å; P424-H518 HydrophobicContact CB-CB 3.58Å; P424-H518 HydrophobicContact CG-CB 3.85Å; P424-F519 HydrophobicContact CB-CD2 4.4Å; P424-F519 HydrophobicContact CB-CE2 3.5Å; P424-F519 HydrophobicContact CB-CZ 3.67Å; P424-L559 HydrophobicContact CB-CD1 3.75Å; P424-L559 HydrophobicContact CG-CD1 3.71Å
425	V	97.9	Very high	91.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.9	-178.9	-178.8	0	0	0	0	111.1	C352 L379 I383 M423 F484 F486 Y514 T515	C352-V425 HydrophobicContact CB-CG2 4.16Å; C352-V425 CarbonylContact O-C 3.54Å; C352-V425 WeakPolarHBondContact O-CA 3.3Å; L379-V425 HydrophobicContact CD2-CG1 3.92Å; I383-V425 HydrophobicContact CD1-CG2 3.75Å; M423-V425 HydrophobicContact CB-CG2 4.45Å; M423-V425 HydrophobicContact CG-CG2 4.07Å; M423-V425 PolarHBondContact O-N 2.91Å; V425-F484 HydrophobicContact CB-CD1 4.3Å; V425-F484 HydrophobicContact CB-CE1 4.3Å; V425-F484 HydrophobicContact CG2-CD1 4.02Å; V425-F484 HydrophobicContact CG2-CE1 3.62Å; V425-F486 HydrophobicContact CB-CE1 4.19Å; V425-F486 HydrophobicContact CG1-CE1 3.99Å; V425-F486 HydrophobicContact CG1-CZ 4.02Å; V425-Y514 CarbonylContact O-C 3.55Å; V425-Y514 WeakPolarHBondContact O-CA 3.32Å; V425-T515 HydrophobicContact CB-CG2 3.92Å; V425-T515 PolarHBondContact N-OG1 3.39Å; V425-T515 VanDerWaalsContact N-OG1 3.13Å; V425-T515 PolarHBondContact O-N 3.39Å; V425-T515 PolarHBondContact O-OG1 2.88Å
426	I	98.7	Very high	92.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.5	164.2	-58.4	166.6	0	0	0	108.1	F193 L195 C352 V353 T354 V512 L513 F519 L557	F193-I426 HydrophobicContact CE2-CD1 3.92Å; F193-I426 HydrophobicContact CZ-CD1 3.6Å; L195-I426 HydrophobicContact CD1-CD1 4.21Å; L195-I426 HydrophobicContact CD1-CG2 3.93Å; C352-I426 PolarHBondContact O-N 2.99Å; V353-I426 WeakPolarHBondContact CA-O 3.4Å; V353-I426 HydrophobicContact CG2-CB 4.39Å; V353-I426 HydrophobicContact CG2-CD1 4.33Å; T354-I426 PolarHBondContact N-O 3.44Å; I426-V512 HydrophobicContact CG2-CG1 4.07Å; I426-L513 CarbonylContact C-O 3.38Å; I426-L513 VanDerWaalsContact CA-O 3.27Å; I426-L513 WeakPolarHBondContact CA-O 3.27Å; I426-L513 WeakPolarHBondContact CG2-O 3.4Å; I426-F519 HydrophobicContact CD1-CE1 3.98Å; I426-F519 HydrophobicContact CD1-CE2 4.29Å; I426-F519 HydrophobicContact CD1-CZ 3.82Å; I426-F519 HydrophobicContact CG1-CD2 4.33Å; I426-F519 HydrophobicContact CG1-CE1 4.37Å; I426-F519 HydrophobicContact CG1-CE2 3.78Å; I426-F519 HydrophobicContact CG1-CZ 3.81Å; I426-L557 HydrophobicContact CD1-CD1 3.49Å; I426-L557 VanDerWaalsContact CD1-CD1 3.49Å; I426-L557 HydrophobicContact CG1-CD1 4.02Å
427	L	98.7	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	174.5	-177.6	161.7	0	0	0	107.9	T354 W375 L443 F486 L513	T354-L427 HydrophobicContact CG2-CB 3.85Å; T354-L427 HydrophobicContact CG2-CD1 4.35Å; T354-L427 HydrophobicContact CG2-CG 3.86Å; W375-L427 HydrophobicContact CD2-CD1 4.28Å; W375-L427 HydrophobicContact CE3-CD1 4.46Å; W375-L427 HydrophobicContact CH2-CD2 3.87Å; W375-L427 HydrophobicContact CH2-CG 3.97Å; W375-L427 HydrophobicContact CZ2-CD1 4.41Å; W375-L427 HydrophobicContact CZ2-CD2 4.37Å; W375-L427 HydrophobicContact CZ2-CG 3.94Å; W375-L427 HydrophobicContact CZ3-CD2 4.01Å; W375-L427 HydrophobicContact CZ3-CG 4.36Å; L427-L443 HydrophobicContact CD1-CD2 4.08Å; L427-F486 HydrophobicContact CB-CE1 4.17Å; L427-F486 HydrophobicContact CB-CZ 3.94Å; L427-F486 HydrophobicContact CD1-CE2 4.21Å; L427-F486 HydrophobicContact CD1-CZ 4.22Å; L427-L513 HydrophobicContact CD2-CD1 3.96Å; L427-L513 PolarHBondContact N-O 2.84Å; L427-L513 WeakPolarHBondContact O-CA 3.17Å; L427-L513 WeakPolarHBondContact O-CB 3.38Å; L427-L513 PolarHBondContact O-N 3.36Å
428	C	98.6	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.2	-178.8	62.5	0	0	0	0	112.6	C197 C241 T354 T355 G356 Y511 V512	C197-C428 HydrophobicContact CB-CB 4.17Å; C241-C428 VanDerWaalsContact CB-SG 3.55Å; C241-C428 PolarHBondContact SG-SG 2.76Å; T354-C428 PolarHBondContact O-N 2.81Å; T354-C428 PolarHBondContact O-SG 2.76Å; T355-C428 WeakPolarHBondContact CA-O 3.37Å; T355-C428 WeakPolarHBondContact CB-O 3.14Å; T355-C428 PolarHBondContact OG1-O 2.87Å; G356-C428 PolarHBondContact N-O 2.87Å; C428-Y511 CarbonylContact C-O 3.46Å; C428-Y511 WeakPolarHBondContact CA-O 3.3Å; C428-Y511 WeakPolarHBondContact CB-O 3.44Å; C428-V512 HydrophobicContact CB-CB 4.37Å; C428-V512 HydrophobicContact CB-CG1 4.48Å; C428-V512 HydrophobicContact CB-CG2 3.97Å
429	G	98.4	Very high	95.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.7	-174.1	174.5	0	0	0	0	0	112.9	C197 G356 L431 D510 Y511	C197-G429 WeakPolarHBondContact SG-CA 3.12Å; C197-G429 PolarHBondContact SG-N 3.03Å; G356-G429 WeakPolarHBondContact O-CA 3.49Å; G429-L431 PolarHBondContact O-N 3.5Å; G429-D510 WeakPolarHBondContact O-CA 3.31Å; G429-Y511 PolarHBondContact N-O 3.18Å; G429-Y511 PolarHBondContact O-N 3.23Å
430	D	98.7	Very high	96.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.3	174.9	-174.4	-12.3	0	0	0	109	N199 Q243 G356 H357 I358 N432 H550	N199-D430 PolarHBondContact ND2-OD2 2.89Å; Q243-D430 HydrophobicContact CG-CB 4.4Å; G356-D430 PolarHBondContact O-N 2.97Å; H357-D430 WeakPolarHBondContact CA-O 3.33Å; H357-D430 IonicContact CD2-OD2 3.23Å; H357-D430 IonicContact NE2-OD2 3.54Å; I358-D430 PolarHBondContact N-O 2.99Å; D430-N432 VanDerWaalsContact OD1-CG 3.24Å; D430-N432 PolarHBondContact OD1-N 3.34Å; D430-N432 PolarHBondContact OD1-ND2 3.1Å; D430-H550 IonicContact OD2-CE1 3.15Å; D430-H550 PolarHBondContact OD2-CE1 3.11Å; D430-H550 VanDerWaalsContact OD2-CE1 3.26Å; D430-H550 IonicContact OD2-NE2 3.93Å
431	L	98.6	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.122	C	C	.	.			trans	-89.4	-8.4	178.7	-59.2	-171.5	0	0	0	112.1	I358 W375 G429 S433 V439 L443 I509 Y511 L513	I358-L431 HydrophobicContact CG1-CD2 3.9Å; W375-L431 HydrophobicContact CZ3-CD2 3.92Å; G429-L431 PolarHBondContact O-N 3.5Å; L431-S433 WeakPolarHBondContact O-CB 3.48Å; L431-S433 PolarHBondContact O-N 3.06Å; L431-S433 PolarHBondContact O-OG 2.82Å; L431-V439 HydrophobicContact CB-CG1 4.35Å; L431-V439 HydrophobicContact CD1-CG1 4.06Å; L431-L443 HydrophobicContact CD1-CD1 3.64Å; L431-I509 PolarHBondContact N-O 3.27Å; L431-Y511 HydrophobicContact CB-CD2 3.94Å; L431-Y511 HydrophobicContact CB-CE2 4.15Å; L431-Y511 HydrophobicContact CD1-CD2 3.46Å; L431-Y511 VanDerWaalsContact CD1-CD2 3.46Å; L431-Y511 HydrophobicContact CD1-CE2 4.08Å; L431-Y511 HydrophobicContact CD1-CG 4.01Å; L431-Y511 HydrophobicContact CG-CD2 3.7Å; L431-Y511 HydrophobicContact CG-CE2 4.37Å; L431-L513 HydrophobicContact CD1-CD1 4.4Å
432	N	98.5	Very high	97.1	Very high	24 Å²	24	21.8 Å²	21.8	13%	0.128	11%	0.113	C	C	.	.			trans	48.3	31.2	-175.1	-82	-68.9	0	0	0	113.2	H357 I358 H359 K368 D430	H357-N432 PolarHBondContact CD2-ND2 3.47Å; H357-N432 PolarHBondContact NE2-ND2 2.93Å; I358-N432 PolarHBondContact O-ND2 2.81Å; H359-N432 VanDerWaalsContact O-CB 3.31Å; H359-N432 WeakPolarHBondContact O-CB 3.02Å; K368-N432 HydrophobicContact CD-CB 4.44Å; K368-N432 WeakPolarHBondContact CD-O 3.45Å; K368-N432 PolarHBondContact NZ-O 3.45Å; D430-N432 VanDerWaalsContact OD1-CG 3.24Å; D430-N432 PolarHBondContact OD1-N 3.34Å; D430-N432 PolarHBondContact OD1-ND2 3.1Å
433	S	98.3	Very high	97.5	Very high	8 Å²	8	16.5 Å²	16.5	6%	0.056	9%	0.085	C	C	.	.			trans	-139.8	128.8	-169.8	-56.9	0	0	0	0	109.2	L431 S437 V439 Y511	L431-S433 WeakPolarHBondContact O-CB 3.48Å; L431-S433 PolarHBondContact O-N 3.06Å; L431-S433 PolarHBondContact O-OG 2.82Å; S433-S437 WeakPolarHBondContact CB-OG 3.47Å; S433-V439 WeakPolarHBondContact OG-CG2 3.46Å; S433-Y511 VanDerWaalsContact O-CE2 3.25Å; S433-Y511 WeakPolarHBondContact O-CE2 3.09Å; S433-Y511 PolarHBondContact O-OH 2.95Å
434	L	96.7	Very high	97.6	Very high	47 Å²	47	17.9 Å²	17.9	25%	0.246	9%	0.094	C	C	.	.			trans	-71.3	162.8	-179.1	-69.2	172.3	0	0	0	112.1	E436 S437 V440 F505 I509 Y511	L434-E436 VanDerWaalsContact CB-OE1 3.3Å; L434-E436 WeakPolarHBondContact CB-OE1 3.48Å; L434-E436 WeakPolarHBondContact CB-OE2 3.37Å; L434-E436 VanDerWaalsContact CD1-OE1 3.26Å; L434-E436 WeakPolarHBondContact CD1-OE1 3.49Å; L434-E436 PolarHBondContact O-N 3.22Å; L434-E436 VanDerWaalsContact O-N 3.1Å; L434-S437 WeakPolarHBondContact O-CB 3.49Å; L434-S437 PolarHBondContact O-N 2.9Å; L434-S437 PolarHBondContact O-OG 2.92Å; L434-V440 WeakPolarHBondContact O-CG2 3.23Å; L434-F505 HydrophobicContact CD2-CE2 4.27Å; L434-F505 HydrophobicContact CD2-CZ 3.89Å; L434-I509 HydrophobicContact CD2-CG2 4.18Å; L434-Y511 VanDerWaalsContact C-OH 3.25Å
435	P	95.3	Very high	97.6	Very high	25 Å²	25	22.4 Å²	22.4	16%	0.162	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.8	-179	-33	40.2	0	0	0	115.8	S437 V440 E492 M508 Y511	P435-S437 VanDerWaalsContact C-N 3.34Å; P435-V440 WeakPolarHBondContact O-CB 3.41Å; P435-V440 WeakPolarHBondContact O-CG1 3.47Å; P435-E492 HydrophobicContact CB-CG 4.5Å; P435-M508 HydrophobicContact CG-CB 4.25Å; P435-M508 HydrophobicContact CG-SD 4.38Å; P435-Y511 WeakPolarHBondContact CD-OH 3.36Å; P435-Y511 VanDerWaalsContact N-OH 3.12Å
436	E	94.5	Very high	97.5	Very high	133 Å²	133	22.9 Å²	22.9	62%	0.621	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0	-178.9	68.2	-80.6	-174.3	0	0	114.4	L434	L434-E436 VanDerWaalsContact CB-OE1 3.3Å; L434-E436 WeakPolarHBondContact CB-OE1 3.48Å; L434-E436 WeakPolarHBondContact CB-OE2 3.37Å; L434-E436 VanDerWaalsContact CD1-OE1 3.26Å; L434-E436 WeakPolarHBondContact CD1-OE1 3.49Å; L434-E436 PolarHBondContact O-N 3.22Å; L434-E436 VanDerWaalsContact O-N 3.1Å
437	S	97.5	Very high	97.3	Very high	11 Å²	11	24.3 Å²	24.3	8%	0.077	13%	0.132	C	C	.	.	S	Bend	trans	-72	156.5	-178.9	65.8	0	0	0	0	113.2	S433 L434 P435 V439 V440 E441	S433-S437 WeakPolarHBondContact CB-OG 3.47Å; L434-S437 WeakPolarHBondContact O-CB 3.49Å; L434-S437 PolarHBondContact O-N 2.9Å; L434-S437 PolarHBondContact O-OG 2.92Å; P435-S437 VanDerWaalsContact C-N 3.34Å; S437-V439 PolarHBondContact O-N 3.02Å; S437-V440 PolarHBondContact O-N 3.09Å; S437-V440 VanDerWaalsContact O-N 3.15Å; S437-V440 WeakPolarHBondContact OG-CG2 3.24Å; S437-V440 PolarHBondContact OG-N 3Å; S437-E441 PolarHBondContact O-N 3.05Å
438	G	98	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-23.5	171.8	0	0	0	0	0	113.1	F442 H452 D454	G438-F442 WeakPolarHBondContact O-CB 3.25Å; G438-F442 PolarHBondContact O-N 2.88Å; G438-H452 VanDerWaalsContact CA-CE1 3.45Å; G438-H452 WeakPolarHBondContact CA-CE1 3.2Å; G438-H452 PolarHBondContact N-CE1 3.24Å; G438-D454 PolarHBondContact N-OD2 3.45Å
439	V	98.4	Very high	97.2	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-51.4	172.2	168.8	0	0	0	0	110.6	K368 V369 T372 L431 S433 S437 F442 L443	K368-V439 HydrophobicContact CB-CG2 3.79Å; V369-V439 HydrophobicContact CB-CG2 4.45Å; V369-V439 HydrophobicContact CG2-CG2 3.82Å; T372-V439 HydrophobicContact CG2-CG1 4.18Å; T372-V439 WeakPolarHBondContact OG1-CG1 3.29Å; L431-V439 HydrophobicContact CB-CG1 4.35Å; L431-V439 HydrophobicContact CD1-CG1 4.06Å; S433-V439 WeakPolarHBondContact OG-CG2 3.46Å; S437-V439 PolarHBondContact O-N 3.02Å; V439-F442 PolarHBondContact O-N 3.09Å; V439-L443 HydrophobicContact CG1-CD1 4.17Å; V439-L443 WeakPolarHBondContact O-CG 3.22Å; V439-L443 PolarHBondContact O-N 2.8Å; V439-L443 VanDerWaalsContact O-N 3.1Å
440	V	97.5	Very high	97	Very high	4 Å²	4	27 Å²	27	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-70.7	-39.8	-179	177.9	0	0	0	0	110.5	L434 P435 S437 L443 T444 Y511	L434-V440 WeakPolarHBondContact O-CG2 3.23Å; P435-V440 WeakPolarHBondContact O-CB 3.41Å; P435-V440 WeakPolarHBondContact O-CG1 3.47Å; S437-V440 PolarHBondContact O-N 3.09Å; S437-V440 VanDerWaalsContact O-N 3.15Å; S437-V440 WeakPolarHBondContact OG-CG2 3.24Å; S437-V440 PolarHBondContact OG-N 3Å; V440-L443 PolarHBondContact O-N 3Å; V440-T444 HydrophobicContact CG1-CG2 4.23Å; V440-T444 WeakPolarHBondContact O-CB 3.28Å; V440-T444 WeakPolarHBondContact O-CG2 3.27Å; V440-T444 PolarHBondContact O-N 3.18Å; V440-T444 PolarHBondContact O-OG1 2.86Å; V440-Y511 HydrophobicContact CG2-CE1 4.09Å; V440-Y511 HydrophobicContact CG2-CE2 4.07Å
441	E	97.6	Very high	96.9	Very high	67 Å²	67	31.5 Å²	31.5	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-57.1	-50.7	173.1	-171.1	-169.2	137.2	0	0	110.7	S437 L443 T444 N445 L448 H452	S437-E441 PolarHBondContact O-N 3.05Å; E441-L443 PolarHBondContact O-N 3.02Å; E441-T444 PolarHBondContact O-N 3.09Å; E441-T444 PolarHBondContact O-OG1 2.78Å; E441-N445 WeakPolarHBondContact CG-ND2 3.25Å; E441-N445 VanDerWaalsContact O-CB 3.26Å; E441-N445 WeakPolarHBondContact O-CB 3.44Å; E441-N445 PolarHBondContact O-N 3.26Å; E441-L448 HydrophobicContact CB-CD1 4.1Å; E441-L448 HydrophobicContact CG-CD1 4.16Å; E441-H452 IonicContact OE2-CD2 3.33Å; E441-H452 PolarHBondContact OE2-CD2 2.99Å; E441-H452 IonicContact OE2-NE2 3.83Å; E441-H452 PolarHBondContact OE2-NE2 3.27Å
442	F	98	Very high	96.8	Very high	3 Å²	3	33 Å²	33	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-50.7	-179.9	179.1	-114.1	0	0	0	111.2	T372 I373 T376 G438 V439 T444 G446 S447 L448 L480 H482	T372-F442 HydrophobicContact CG2-CD1 3.9Å; T372-F442 HydrophobicContact CG2-CE1 4.4Å; I373-F442 HydrophobicContact CB-CE1 4.33Å; I373-F442 HydrophobicContact CB-CZ 4.4Å; I373-F442 HydrophobicContact CG1-CD1 4.25Å; I373-F442 HydrophobicContact CG1-CE1 3.71Å; I373-F442 HydrophobicContact CG1-CE2 4.25Å; I373-F442 HydrophobicContact CG1-CZ 3.71Å; T376-F442 HydrophobicContact CG2-CE1 4.37Å; G438-F442 WeakPolarHBondContact O-CB 3.25Å; G438-F442 PolarHBondContact O-N 2.88Å; V439-F442 PolarHBondContact O-N 3.09Å; F442-T444 PolarHBondContact O-N 3.26Å; F442-G446 VanDerWaalsContact O-CA 3.32Å; F442-G446 WeakPolarHBondContact O-CA 3.3Å; F442-G446 PolarHBondContact O-N 3.45Å; F442-S447 PolarHBondContact O-N 3.3Å; F442-L448 HydrophobicContact CB-CB 3.99Å; F442-L448 HydrophobicContact CB-CD2 4.32Å; F442-L448 HydrophobicContact CD2-CB 3.73Å; F442-L448 HydrophobicContact CG-CB 4.28Å; F442-L480 HydrophobicContact CE2-CB 4.23Å; F442-H482 AromaticContact CD1-CD2 3.87Å; F442-H482 AromaticContact CE1-CD2 3.57Å; F442-H482 AromaticContact CE2-CD2 3.94Å; F442-H482 HydrophobicContact CZ-CB 4.16Å; F442-H482 AromaticContact CZ-CD2 3.61Å; F442-H482 PolarHBondContact O-CD2 3.16Å; F442-H482 PolarHBondContact O-NE2 2.98Å
443	L	97.8	Very high	96.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-38.7	-178.3	-73.9	171.3	0	0	0	113.6	T372 T376 L427 L431 V439 V440 E441 H482 F486 L513	T372-L443 HydrophobicContact CG2-CD1 3.9Å; T372-L443 HydrophobicContact CG2-CD2 3.66Å; T372-L443 HydrophobicContact CG2-CG 3.62Å; T376-L443 HydrophobicContact CG2-CD2 3.73Å; L427-L443 HydrophobicContact CD1-CD2 4.08Å; L431-L443 HydrophobicContact CD1-CD1 3.64Å; V439-L443 HydrophobicContact CG1-CD1 4.17Å; V439-L443 WeakPolarHBondContact O-CG 3.22Å; V439-L443 PolarHBondContact O-N 2.8Å; V439-L443 VanDerWaalsContact O-N 3.1Å; V440-L443 PolarHBondContact O-N 3Å; E441-L443 PolarHBondContact O-N 3.02Å; L443-H482 VanDerWaalsContact CA-NE2 3.28Å; L443-H482 WeakPolarHBondContact CA-NE2 3.33Å; L443-H482 PolarHBondContact O-CE1 3.26Å; L443-H482 VanDerWaalsContact O-CE1 3.28Å; L443-H482 PolarHBondContact O-NE2 3.44Å; L443-F486 HydrophobicContact CD2-CD2 4.33Å; L443-F486 HydrophobicContact CD2-CE2 4.29Å; L443-F486 WeakPolarHBondContact O-CD2 3.38Å; L443-L513 HydrophobicContact CB-CD2 4.06Å; L443-L513 HydrophobicContact CD1-CD1 4.3Å
444	T	95.8	Very high	96.7	Very high	35 Å²	35	36.9 Å²	36.9	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-89.4	-41.1	-173.4	54.8	0	0	0	0	112.8	V440 E441 F442 G446 R488 L513	V440-T444 HydrophobicContact CG1-CG2 4.23Å; V440-T444 WeakPolarHBondContact O-CB 3.28Å; V440-T444 WeakPolarHBondContact O-CG2 3.27Å; V440-T444 PolarHBondContact O-N 3.18Å; V440-T444 PolarHBondContact O-OG1 2.86Å; E441-T444 PolarHBondContact O-N 3.09Å; E441-T444 PolarHBondContact O-OG1 2.78Å; F442-T444 PolarHBondContact O-N 3.26Å; T444-G446 VanDerWaalsContact C-N 3.34Å; T444-R488 HydrophobicContact CG2-CG 3.86Å; T444-L513 HydrophobicContact CG2-CD2 4.11Å
445	N	96.2	Very high	96.7	Very high	109 Å²	109	34.7 Å²	34.7	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-82	-16.3	179	-66.4	-17.7	0	0	0	112.5	E441 S447	E441-N445 WeakPolarHBondContact CG-ND2 3.25Å; E441-N445 VanDerWaalsContact O-CB 3.26Å; E441-N445 WeakPolarHBondContact O-CB 3.44Å; E441-N445 PolarHBondContact O-N 3.26Å; N445-S447 PolarHBondContact O-N 2.82Å
446	G	95.4	Very high	96.6	Very high	11 Å²	11	36.4 Å²	36.4	11%	0.113	21%	0.207	C	C	.	.	S	Bend	trans	71.8	11.1	-173.5	0	0	0	0	0	113.1	F442 T444 R481 H482	F442-G446 VanDerWaalsContact O-CA 3.32Å; F442-G446 WeakPolarHBondContact O-CA 3.3Å; F442-G446 PolarHBondContact O-N 3.45Å; T444-G446 VanDerWaalsContact C-N 3.34Å; G446-R481 CarbonylContact O-C 3.5Å; G446-R481 VanDerWaalsContact O-CA 3.23Å; G446-R481 WeakPolarHBondContact O-CA 3.38Å; G446-H482 PolarHBondContact O-N 3.11Å
447	S	96.1	Very high	96.5	Very high	29 Å²	29	37 Å²	37	20%	0.203	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	153.3	179.5	64.4	0	0	0	0	113.3	F442 N445 L480	F442-S447 PolarHBondContact O-N 3.3Å; N445-S447 PolarHBondContact O-N 2.82Å; S447-L480 CarbonylContact C-O 3.45Å; S447-L480 WeakPolarHBondContact CA-O 3.39Å; S447-L480 VanDerWaalsContact CB-O 3.31Å; S447-L480 WeakPolarHBondContact CB-O 3.28Å
448	L	97	Very high	96.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	141	174.9	-169.7	70.2	0	0	0	110.2	V369 E441 F442 H452 F455 T479 L480	V369-L448 HydrophobicContact CG1-CD2 3.59Å; V369-L448 HydrophobicContact CG2-CD2 4.36Å; E441-L448 HydrophobicContact CB-CD1 4.1Å; E441-L448 HydrophobicContact CG-CD1 4.16Å; F442-L448 HydrophobicContact CB-CB 3.99Å; F442-L448 HydrophobicContact CB-CD2 4.32Å; F442-L448 HydrophobicContact CD2-CB 3.73Å; F442-L448 HydrophobicContact CG-CB 4.28Å; L448-H452 HydrophobicContact CD1-CB 4.04Å; L448-H452 HydrophobicContact CD2-CB 4.43Å; L448-H452 HydrophobicContact CG-CB 4.07Å; L448-F455 HydrophobicContact CD2-CE2 3.65Å; L448-F455 HydrophobicContact CD2-CZ 3.97Å; L448-F455 HydrophobicContact CG-CE2 4.23Å; L448-T479 WeakPolarHBondContact O-CA 3.09Å; L448-L480 PolarHBondContact N-O 3.04Å; L448-L480 PolarHBondContact O-N 3.14Å
449	S	96.3	Very high	95.9	Very high	36 Å²	36	40 Å²	40	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.3	174.6	-172.8	0	0	0	0	111.5	T451 H452 F455 N478	S449-T451 PolarHBondContact O-N 2.79Å; S449-T451 VanDerWaalsContact O-N 3.17Å; S449-T451 PolarHBondContact OG-N 2.96Å; S449-T451 PolarHBondContact OG-OG1 3.06Å; S449-H452 WeakPolarHBondContact O-CB 3.27Å; S449-H452 PolarHBondContact O-N 3.25Å; S449-F455 WeakPolarHBondContact O-CE2 3.25Å; S449-N478 CarbonylContact C-O 3.59Å; S449-N478 WeakPolarHBondContact CA-O 3.41Å; S449-N478 PolarHBondContact OG-ND2 2.99Å; S449-N478 VanDerWaalsContact OG-ND2 3.14Å
450	L	95.2	Very high	95.5	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	172.2	-61.3	177.2	0	0	0	112.8	G459 F464 N478 L480	L450-G459 WeakPolarHBondContact O-CA 3.2Å; L450-F464 HydrophobicContact CD2-CD2 3.37Å; L450-F464 HydrophobicContact CD2-CE2 3.47Å; L450-F464 VanDerWaalsContact CD2-CE2 3.47Å; L450-F464 HydrophobicContact CD2-CG 4.39Å; L450-N478 WeakPolarHBondContact CB-OD1 3.29Å; L450-N478 PolarHBondContact N-O 2.81Å; L450-L480 HydrophobicContact CD2-CD1 3.54Å; L450-L480 HydrophobicContact CD2-CD2 4.12Å; L450-L480 HydrophobicContact CD2-CG 3.56Å; L450-L480 HydrophobicContact CG-CG 4.46Å
451	T	95.4	Very high	95.2	Very high	96 Å²	96	50.8 Å²	50.8	59%	0.589	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	7.2	173.8	58.2	0	0	0	0	113	S449 N478	S449-T451 PolarHBondContact O-N 2.79Å; S449-T451 VanDerWaalsContact O-N 3.17Å; S449-T451 PolarHBondContact OG-N 2.96Å; S449-T451 PolarHBondContact OG-OG1 3.06Å; T451-N478 VanDerWaalsContact CG2-ND2 3.26Å; T451-N478 WeakPolarHBondContact CG2-ND2 3.37Å; T451-N478 PolarHBondContact OG1-ND2 3.39Å
452	H	97.1	Very high	94.8	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.148	26%	0.258	C	S	.	.			trans	-60.4	142	175.5	-170.6	-82.2	0	0	0	110.6	G438 E441 L448 S449 D454 F455	G438-H452 VanDerWaalsContact CA-CE1 3.45Å; G438-H452 WeakPolarHBondContact CA-CE1 3.2Å; G438-H452 PolarHBondContact N-CE1 3.24Å; E441-H452 IonicContact OE2-CD2 3.33Å; E441-H452 PolarHBondContact OE2-CD2 2.99Å; E441-H452 IonicContact OE2-NE2 3.83Å; E441-H452 PolarHBondContact OE2-NE2 3.27Å; L448-H452 HydrophobicContact CD1-CB 4.04Å; L448-H452 HydrophobicContact CD2-CB 4.43Å; L448-H452 HydrophobicContact CG-CB 4.07Å; S449-H452 WeakPolarHBondContact O-CB 3.27Å; S449-H452 PolarHBondContact O-N 3.25Å; H452-D454 VanDerWaalsContact CE1-CG 3.42Å; H452-D454 IonicContact CE1-OD1 2.99Å; H452-D454 PolarHBondContact CE1-OD1 3.44Å; H452-D454 IonicContact CE1-OD2 3.57Å; H452-D454 WeakPolarHBondContact ND1-CB 3.4Å; H452-D454 PolarHBondContact ND1-N 2.84Å; H452-D454 IonicContact ND1-OD1 3.65Å; H452-D454 PolarHBondContact O-N 3.4Å; H452-F455 HydrophobicContact CB-CD2 4.13Å; H452-F455 PolarHBondContact O-N 3.33Å
453	S	97	Very high	94.3	Very high	86 Å²	86	52.3 Å²	52.3	60%	0.601	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-57	-36	-176	48.3	0	0	0	0	112.9	F455 L456	S453-F455 PolarHBondContact O-N 3.37Å; S453-F455 VanDerWaalsContact O-N 3.13Å; S453-L456 WeakPolarHBondContact O-CA 3.41Å; S453-L456 PolarHBondContact O-N 3.2Å
454	D	97.4	Very high	93.9	Very high	29 Å²	29	52.6 Å²	52.6	16%	0.155	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-65	-13.9	179.4	-68.7	17.9	0	0	0	113.7	S365 D366 V369 G438 H452 L456	S365-D454 CarbonylContact C-O 3.56Å; S365-D454 VanDerWaalsContact C-O 3.31Å; S365-D454 PolarHBondContact OG-O 3.09Å; D366-D454 WeakPolarHBondContact CA-O 3.29Å; D366-D454 VanDerWaalsContact CB-O 3.31Å; D366-D454 WeakPolarHBondContact CB-O 3.47Å; D366-D454 PolarHBondContact N-O 2.96Å; V369-D454 HydrophobicContact CG2-CB 3.9Å; G438-D454 PolarHBondContact N-OD2 3.45Å; H452-D454 VanDerWaalsContact CE1-CG 3.42Å; H452-D454 IonicContact CE1-OD1 2.99Å; H452-D454 PolarHBondContact CE1-OD1 3.44Å; H452-D454 IonicContact CE1-OD2 3.57Å; H452-D454 WeakPolarHBondContact ND1-CB 3.4Å; H452-D454 PolarHBondContact ND1-N 2.84Å; H452-D454 IonicContact ND1-OD1 3.65Å; H452-D454 PolarHBondContact O-N 3.4Å; D454-L456 PolarHBondContact O-N 3.48Å
455	F	96.5	Very high	93.3	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-77.5	-3.7	168	-76.2	-62.5	0	0	0	113.4	V369 I373 L448 S449 H452 S453 N457 Y458 Y462 F464 L480	V369-F455 HydrophobicContact CB-CE1 4.27Å; V369-F455 HydrophobicContact CG1-CD1 4.38Å; V369-F455 HydrophobicContact CG1-CE1 3.51Å; V369-F455 HydrophobicContact CG1-CE2 4.21Å; V369-F455 HydrophobicContact CG1-CZ 3.41Å; V369-F455 VanDerWaalsContact CG1-CZ 3.41Å; I373-F455 HydrophobicContact CD1-CE1 4.44Å; I373-F455 HydrophobicContact CD1-CZ 4.17Å; L448-F455 HydrophobicContact CD2-CE2 3.65Å; L448-F455 HydrophobicContact CD2-CZ 3.97Å; L448-F455 HydrophobicContact CG-CE2 4.23Å; S449-F455 WeakPolarHBondContact O-CE2 3.25Å; H452-F455 HydrophobicContact CB-CD2 4.13Å; H452-F455 PolarHBondContact O-N 3.33Å; S453-F455 PolarHBondContact O-N 3.37Å; S453-F455 VanDerWaalsContact O-N 3.13Å; F455-N457 PolarHBondContact O-N 3.14Å; F455-N457 VanDerWaalsContact O-N 3.16Å; F455-Y458 WeakPolarHBondContact O-CA 3.34Å; F455-Y458 VanDerWaalsContact O-CB 3.24Å; F455-Y458 WeakPolarHBondContact O-CB 3.35Å; F455-Y458 PolarHBondContact O-N 3.08Å; F455-Y462 HydrophobicContact CD1-CD2 4.37Å; F455-Y462 HydrophobicContact CD1-CE2 4.48Å; F455-F464 HydrophobicContact CE1-CE2 4.14Å; F455-F464 AromaticContact CE1-CZ 3.72Å; F455-F464 HydrophobicContact CE1-CZ 3.72Å; F455-F464 HydrophobicContact CZ-CE2 4.34Å; F455-F464 HydrophobicContact CZ-CZ 4.09Å; F455-L480 HydrophobicContact CE2-CD1 4.48Å; F455-L480 HydrophobicContact CZ-CD1 3.83Å
456	L	94.7	Very high	92.7	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.325	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.2	-179.4	-52.2	177.7	0	0	0	112.9	D366 S453 D454 Y458	D366-L456 HydrophobicContact CB-CD1 4.44Å; D366-L456 HydrophobicContact CB-CG 4.4Å; S453-L456 WeakPolarHBondContact O-CA 3.41Å; S453-L456 PolarHBondContact O-N 3.2Å; D454-L456 PolarHBondContact O-N 3.48Å; L456-Y458 HydrophobicContact CB-CD2 3.86Å; L456-Y458 HydrophobicContact CB-CE2 3.88Å; L456-Y458 HydrophobicContact CD1-CE2 4.48Å; L456-Y458 PolarHBondContact O-N 3.01Å
457	N	91.9	Very high	92.2	Very high	144 Å²	144	57 Å²	57	77%	0.77	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	12.1	-171.9	-53	-54.7	0	0	0	115.5	F455	F455-N457 PolarHBondContact O-N 3.14Å; F455-N457 VanDerWaalsContact O-N 3.16Å
458	Y	91.8	Very high	91.5	Very high	73 Å²	73	60.8 Å²	60.8	29%	0.286	31%	0.307	S	S	.	.			trans	-94.6	-3.2	177.4	-55.2	-45.8	0	0	0	114.3	I320 F455 L456 H460 K461 Y462	I320-Y458 HydrophobicContact CD1-CD1 3.78Å; I320-Y458 HydrophobicContact CD1-CE1 4.32Å; I320-Y458 HydrophobicContact CD1-CG 4.15Å; I320-Y458 HydrophobicContact CG2-CD2 4.38Å; I320-Y458 HydrophobicContact CG2-CG 4.31Å; F455-Y458 WeakPolarHBondContact O-CA 3.34Å; F455-Y458 VanDerWaalsContact O-CB 3.24Å; F455-Y458 WeakPolarHBondContact O-CB 3.35Å; F455-Y458 PolarHBondContact O-N 3.08Å; L456-Y458 HydrophobicContact CB-CD2 3.86Å; L456-Y458 HydrophobicContact CB-CE2 3.88Å; L456-Y458 HydrophobicContact CD1-CE2 4.48Å; L456-Y458 PolarHBondContact O-N 3.01Å; Y458-H460 VanDerWaalsContact C-N 3.33Å; Y458-H460 PolarHBondContact O-N 3Å; Y458-K461 HydrophobicContact CD1-CD 3.98Å; Y458-K461 CarbonylContact O-C 3.56Å; Y458-K461 WeakPolarHBondContact O-CA 3.33Å; Y458-K461 WeakPolarHBondContact O-CB 3.41Å; Y458-K461 PolarHBondContact O-N 3.36Å; Y458-Y462 VanDerWaalsContact O-CD2 3.23Å; Y458-Y462 WeakPolarHBondContact O-CD2 3.32Å; Y458-Y462 PolarHBondContact O-N 3.16Å; Y458-Y462 VanDerWaalsContact O-N 3.16Å
459	G	90.3	Very high	90.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-54.1	-44.8	-170.7	0	0	0	0	0	113.8	L450 K461 F464	L450-G459 WeakPolarHBondContact O-CA 3.2Å; G459-K461 VanDerWaalsContact C-N 3.34Å; G459-K461 PolarHBondContact O-N 3.39Å; G459-F464 WeakPolarHBondContact O-CD2 3.35Å; G459-F464 VanDerWaalsContact O-CE2 3.22Å; G459-F464 WeakPolarHBondContact O-CE2 3.35Å
460	H	90.7	Very high	90.1	Very high	118 Å²	118	59.9 Å²	59.9	55%	0.546	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-70.3	-28.3	173.6	-68	-72.7	0	0	0	114	Y458 Y462 M463 N478	Y458-H460 VanDerWaalsContact C-N 3.33Å; Y458-H460 PolarHBondContact O-N 3Å; H460-Y462 VanDerWaalsContact C-N 3.26Å; H460-Y462 PolarHBondContact O-N 3.32Å; H460-M463 PolarHBondContact O-N 3.06Å; H460-N478 PolarHBondContact CE1-OD1 3.22Å; H460-N478 PolarHBondContact NE2-OD1 3.27Å
461	K	91.1	Very high	89.3	Confident	115 Å²	115	62.2 Å²	62.2	50%	0.5	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-75.9	-13	-178.8	-53.5	-169.8	-170.9	174.7	0	113.2	T318 I320 Y458 G459 M463	T318-K461 WeakPolarHBondContact CG2-O 3.36Å; T318-K461 PolarHBondContact OG1-O 3.4Å; I320-K461 HydrophobicContact CD1-CB 3.57Å; I320-K461 HydrophobicContact CD1-CD 3.5Å; I320-K461 VanDerWaalsContact CD1-CD 3.5Å; I320-K461 HydrophobicContact CD1-CG 4.19Å; Y458-K461 HydrophobicContact CD1-CD 3.98Å; Y458-K461 CarbonylContact O-C 3.56Å; Y458-K461 WeakPolarHBondContact O-CA 3.33Å; Y458-K461 WeakPolarHBondContact O-CB 3.41Å; Y458-K461 PolarHBondContact O-N 3.36Å; G459-K461 VanDerWaalsContact C-N 3.34Å; G459-K461 PolarHBondContact O-N 3.39Å; K461-M463 VanDerWaalsContact C-N 3.27Å
462	Y	89.8	Confident	88.6	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-77.7	-12	171.9	-77.5	-66.3	0	0	0	113.6	I320 M321 V325 D366 I370 F455 Y458 H460 F464 W467	I320-Y462 HydrophobicContact CB-CE1 4.31Å; I320-Y462 HydrophobicContact CG2-CD1 4.49Å; I320-Y462 HydrophobicContact CG2-CE1 3.62Å; I320-Y462 HydrophobicContact CG2-CE2 4.22Å; I320-Y462 VanDerWaalsContact CG2-CZ 3.46Å; I320-Y462 WeakPolarHBondContact CG2-OH 3.47Å; M321-Y462 HydrophobicContact CE-CD1 4.1Å; V325-Y462 HydrophobicContact CG2-CE1 4.05Å; D366-Y462 HydrophobicContact CB-CE2 4.33Å; D366-Y462 PolarHBondContact OD2-OH 2.95Å; I370-Y462 HydrophobicContact CD1-CD1 3.53Å; I370-Y462 HydrophobicContact CD1-CD2 3.77Å; I370-Y462 HydrophobicContact CD1-CE1 3.16Å; I370-Y462 HydrophobicContact CD1-CE2 3.42Å; I370-Y462 VanDerWaalsContact CD1-CE2 3.42Å; I370-Y462 HydrophobicContact CD1-CG 3.82Å; F455-Y462 HydrophobicContact CD1-CD2 4.37Å; F455-Y462 HydrophobicContact CD1-CE2 4.48Å; Y458-Y462 VanDerWaalsContact O-CD2 3.23Å; Y458-Y462 WeakPolarHBondContact O-CD2 3.32Å; Y458-Y462 PolarHBondContact O-N 3.16Å; Y458-Y462 VanDerWaalsContact O-N 3.16Å; H460-Y462 VanDerWaalsContact C-N 3.26Å; H460-Y462 PolarHBondContact O-N 3.32Å; Y462-F464 VanDerWaalsContact C-N 3.3Å; Y462-F464 VanDerWaalsContact CB-CE2 3.5Å; Y462-F464 HydrophobicContact CD2-CE2 4.41Å; Y462-F464 HydrophobicContact CD2-CZ 4.31Å; Y462-F464 HydrophobicContact CG-CE2 4.31Å; Y462-F464 HydrophobicContact CG-CZ 4.15Å; Y462-F464 PolarHBondContact O-N 2.73Å; Y462-W467 PolarHBondContact O-NE1 3.34Å
463	M	87.4	Confident	87.7	Confident	100 Å²	100	67 Å²	67	49%	0.493	32%	0.321	S	S	.	.			trans	50.8	46.3	174.1	-56.5	-175.7	76.3	0	0	112.9	T318 H460 K461 K465 D466	T318-M463 HydrophobicContact CG2-CB 4.44Å; T318-M463 HydrophobicContact CG2-CG 4.11Å; T318-M463 HydrophobicContact CG2-SD 3.92Å; H460-M463 PolarHBondContact O-N 3.06Å; K461-M463 VanDerWaalsContact C-N 3.27Å; M463-K465 PolarHBondContact O-N 3.3Å; M463-D466 WeakPolarHBondContact CE-OD2 3.39Å; M463-D466 WeakPolarHBondContact O-CB 3.43Å; M463-D466 PolarHBondContact O-N 3.29Å
464	F	87.9	Confident	87.2	Confident	7 Å²	7	63 Å²	63	3%	0.031	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-53.2	-25.5	-175.8	-66.3	-80.7	0	0	0	115.1	I370 I373 L450 F455 G459 Y462 D466 W467 L470 T475 L480	I370-F464 HydrophobicContact CG1-CZ 4.39Å; I373-F464 HydrophobicContact CD1-CE1 3.94Å; I373-F464 HydrophobicContact CD1-CZ 4.22Å; L450-F464 HydrophobicContact CD2-CD2 3.37Å; L450-F464 HydrophobicContact CD2-CE2 3.47Å; L450-F464 VanDerWaalsContact CD2-CE2 3.47Å; L450-F464 HydrophobicContact CD2-CG 4.39Å; F455-F464 HydrophobicContact CE1-CE2 4.14Å; F455-F464 AromaticContact CE1-CZ 3.72Å; F455-F464 HydrophobicContact CE1-CZ 3.72Å; F455-F464 HydrophobicContact CZ-CE2 4.34Å; F455-F464 HydrophobicContact CZ-CZ 4.09Å; G459-F464 WeakPolarHBondContact O-CD2 3.35Å; G459-F464 VanDerWaalsContact O-CE2 3.22Å; G459-F464 WeakPolarHBondContact O-CE2 3.35Å; Y462-F464 VanDerWaalsContact C-N 3.3Å; Y462-F464 VanDerWaalsContact CB-CE2 3.5Å; Y462-F464 HydrophobicContact CD2-CE2 4.41Å; Y462-F464 HydrophobicContact CD2-CZ 4.31Å; Y462-F464 HydrophobicContact CG-CE2 4.31Å; Y462-F464 HydrophobicContact CG-CZ 4.15Å; Y462-F464 PolarHBondContact O-N 2.73Å; F464-D466 PolarHBondContact O-N 3.03Å; F464-W467 AromaticContact CD1-CD2 3.87Å; F464-W467 HydrophobicContact CD1-CD2 3.87Å; F464-W467 AromaticContact CD1-CE2 3.68Å; F464-W467 AromaticContact CD1-CE3 3.89Å; F464-W467 HydrophobicContact CD1-CE3 3.89Å; F464-W467 AromaticContact CD1-CH2 3.65Å; F464-W467 HydrophobicContact CD1-CH2 3.65Å; F464-W467 AromaticContact CD1-CZ2 3.54Å; F464-W467 HydrophobicContact CD1-CZ2 3.54Å; F464-W467 AromaticContact CD1-CZ3 3.82Å; F464-W467 HydrophobicContact CD1-CZ3 3.82Å; F464-W467 HydrophobicContact CE1-CE3 4.33Å; F464-W467 AromaticContact CE1-CH2 3.29Å; F464-W467 HydrophobicContact CE1-CH2 3.29Å; F464-W467 AromaticContact CE1-CZ2 3.42Å; F464-W467 HydrophobicContact CE1-CZ2 3.42Å; F464-W467 VanDerWaalsContact CE1-CZ2 3.42Å; F464-W467 AromaticContact CE1-CZ3 3.78Å; F464-W467 HydrophobicContact CE1-CZ3 3.78Å; F464-W467 HydrophobicContact CZ-CH2 4.36Å; F464-W467 HydrophobicContact CZ-CZ2 4.32Å; F464-W467 WeakPolarHBondContact O-CB 3.38Å; F464-W467 PolarHBondContact O-N 3.43Å; F464-W467 VanDerWaalsContact O-N 3.16Å; F464-L470 HydrophobicContact CB-CD1 4.3Å; F464-L470 HydrophobicContact CD1-CD1 4.07Å; F464-T475 HydrophobicContact CB-CG2 4.04Å; F464-L480 HydrophobicContact CB-CD2 3.78Å; F464-L480 HydrophobicContact CD1-CD1 4.04Å; F464-L480 HydrophobicContact CD1-CD2 4.03Å; F464-L480 HydrophobicContact CD2-CD1 3.98Å; F464-L480 HydrophobicContact CD2-CD2 4.14Å; F464-L480 HydrophobicContact CD2-CG 4.49Å; F464-L480 HydrophobicContact CE1-CD1 3.85Å; F464-L480 HydrophobicContact CE2-CD1 3.78Å; F464-L480 HydrophobicContact CG-CD1 4.1Å; F464-L480 HydrophobicContact CG-CD2 3.74Å; F464-L480 HydrophobicContact CG-CG 4.49Å; F464-L480 HydrophobicContact CZ-CD1 3.73Å
465	K	84.8	Confident	86.6	Confident	148 Å²	148	62.6 Å²	62.6	64%	0.643	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22	175.7	-66.6	-179	-179.4	175.8	0	113.1	M463	M463-K465 PolarHBondContact O-N 3.3Å
466	D	83.7	Confident	85.9	Confident	94 Å²	94	67.4 Å²	67.4	50%	0.503	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-94.4	-3.2	-179.9	-56.8	-21.7	0	0	0	112.1	M463 F464 K468	M463-D466 WeakPolarHBondContact CE-OD2 3.39Å; M463-D466 WeakPolarHBondContact O-CB 3.43Å; M463-D466 PolarHBondContact O-N 3.29Å; F464-D466 PolarHBondContact O-N 3.03Å; D466-K468 PolarHBondContact O-N 3.25Å
467	W	85.1	Confident	85.5	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.027	33%	0.328	C	S	.	.			trans	-75.6	111.9	178	-69.9	23.2	0	0	0	108.9	M313 M321 I370 I373 L374 Y462 F464 L469 L470	M313-W467 HydrophobicContact CE-CB 3.87Å; M313-W467 HydrophobicContact CE-CD2 3.9Å; M313-W467 HydrophobicContact CE-CE3 3.32Å; M313-W467 HydrophobicContact CE-CG 4.16Å; M313-W467 HydrophobicContact CE-CZ3 4.12Å; M321-W467 HydrophobicContact CE-CH2 3.59Å; M321-W467 HydrophobicContact CE-CZ2 3.05Å; I370-W467 HydrophobicContact CG1-CH2 4.36Å; I370-W467 HydrophobicContact CG2-CH2 3.8Å; I373-W467 HydrophobicContact CG2-CZ3 4.05Å; L374-W467 HydrophobicContact CD2-CE3 4.21Å; L374-W467 HydrophobicContact CD2-CH2 4.43Å; L374-W467 HydrophobicContact CD2-CZ3 3.7Å; L374-W467 HydrophobicContact CG-CZ3 4.19Å; Y462-W467 PolarHBondContact O-NE1 3.34Å; F464-W467 AromaticContact CD1-CD2 3.87Å; F464-W467 HydrophobicContact CD1-CD2 3.87Å; F464-W467 AromaticContact CD1-CE2 3.68Å; F464-W467 AromaticContact CD1-CE3 3.89Å; F464-W467 HydrophobicContact CD1-CE3 3.89Å; F464-W467 AromaticContact CD1-CH2 3.65Å; F464-W467 HydrophobicContact CD1-CH2 3.65Å; F464-W467 AromaticContact CD1-CZ2 3.54Å; F464-W467 HydrophobicContact CD1-CZ2 3.54Å; F464-W467 AromaticContact CD1-CZ3 3.82Å; F464-W467 HydrophobicContact CD1-CZ3 3.82Å; F464-W467 HydrophobicContact CE1-CE3 4.33Å; F464-W467 AromaticContact CE1-CH2 3.29Å; F464-W467 HydrophobicContact CE1-CH2 3.29Å; F464-W467 AromaticContact CE1-CZ2 3.42Å; F464-W467 HydrophobicContact CE1-CZ2 3.42Å; F464-W467 VanDerWaalsContact CE1-CZ2 3.42Å; F464-W467 AromaticContact CE1-CZ3 3.78Å; F464-W467 HydrophobicContact CE1-CZ3 3.78Å; F464-W467 HydrophobicContact CZ-CH2 4.36Å; F464-W467 HydrophobicContact CZ-CZ2 4.32Å; F464-W467 WeakPolarHBondContact O-CB 3.38Å; F464-W467 PolarHBondContact O-N 3.43Å; F464-W467 VanDerWaalsContact O-N 3.16Å; W467-L469 PolarHBondContact O-N 3.09Å; W467-L470 HydrophobicContact CB-CB 4.37Å; W467-L470 HydrophobicContact CB-CD1 4.26Å; W467-L470 HydrophobicContact CB-CG 4.21Å; W467-L470 HydrophobicContact CD2-CD1 4.27Å; W467-L470 HydrophobicContact CE3-CD1 3.7Å; W467-L470 HydrophobicContact CE3-CG 4.23Å; W467-L470 HydrophobicContact CZ3-CD1 4.42Å; W467-L470 PolarHBondContact O-N 3.49Å
468	K	81	Confident	85.5	Confident	108 Å²	108	62.4 Å²	62.4	47%	0.47	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.9	-177.1	-69.9	-176.9	177.1	-179.4	0	113.9	M313 E315 P412 D466	M313-K468 PolarHBondContact O-N 2.94Å; E315-K468 WeakPolarHBondContact OE1-CE 3.34Å; E315-K468 IonicContact OE1-NZ 2.62Å; E315-K468 PolarHBondContact OE1-NZ 2.8Å; P412-K468 WeakPolarHBondContact CB-O 3.44Å; D466-K468 PolarHBondContact O-N 3.25Å
469	L	81	Confident	85.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.8	176.3	-169.5	62.4	0	0	0	111.6	M313 A377 E378 A381 V413 W467	M313-L469 HydrophobicContact CE-CB 3.16Å; M313-L469 HydrophobicContact CE-CD2 3.61Å; M313-L469 HydrophobicContact CE-CG 3.97Å; M313-L469 HydrophobicContact CG-CB 3.89Å; M313-L469 HydrophobicContact CG-CD2 4.39Å; M313-L469 HydrophobicContact SD-CB 3.59Å; M313-L469 VanDerWaalsContact SD-CB 3.59Å; M313-L469 HydrophobicContact SD-CD2 3.26Å; M313-L469 WeakPolarHBondContact SD-CD2 3.29Å; M313-L469 HydrophobicContact SD-CG 4.02Å; A377-L469 HydrophobicContact CB-CD2 3.37Å; A377-L469 HydrophobicContact CB-CG 3.84Å; E378-L469 HydrophobicContact CG-CD2 3.74Å; A381-L469 HydrophobicContact CB-CD1 4.38Å; V413-L469 WeakPolarHBondContact CA-O 3.12Å; V413-L469 WeakPolarHBondContact CB-O 3.39Å; V413-L469 HydrophobicContact CG2-CB 4.5Å; V413-L469 HydrophobicContact CG2-CD1 3.63Å; V413-L469 HydrophobicContact CG2-CD2 4.45Å; V413-L469 HydrophobicContact CG2-CG 3.53Å; V413-L469 WeakPolarHBondContact CG2-O 3.38Å; V413-L469 PolarHBondContact N-O 3.37Å; W467-L469 PolarHBondContact O-N 3.09Å
470	L	82.4	Confident	85.8	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.084	30%	0.301	C	S	.	.	S	Bend	trans	-92.5	112	-174	-59.7	-179.8	0	0	0	111.1	I373 A377 F464 W467 A474 T475 L480	I373-L470 HydrophobicContact CG2-CD1 4.19Å; I373-L470 HydrophobicContact CG2-CD2 4.39Å; A377-L470 HydrophobicContact CB-CD2 3.87Å; F464-L470 HydrophobicContact CB-CD1 4.3Å; F464-L470 HydrophobicContact CD1-CD1 4.07Å; W467-L470 HydrophobicContact CB-CB 4.37Å; W467-L470 HydrophobicContact CB-CD1 4.26Å; W467-L470 HydrophobicContact CB-CG 4.21Å; W467-L470 HydrophobicContact CD2-CD1 4.27Å; W467-L470 HydrophobicContact CE3-CD1 3.7Å; W467-L470 HydrophobicContact CE3-CG 4.23Å; W467-L470 HydrophobicContact CZ3-CD1 4.42Å; W467-L470 PolarHBondContact O-N 3.49Å; L470-A474 HydrophobicContact CB-CB 4.25Å; L470-A474 HydrophobicContact CD2-CB 4.2Å; L470-T475 HydrophobicContact CB-CG2 3.94Å; L470-T475 HydrophobicContact CD1-CG2 4.08Å; L470-L480 HydrophobicContact CD1-CD2 4.41Å
471	E	79	Confident	86	Confident	68 Å²	68	59.7 Å²	59.7	32%	0.318	29%	0.292	S	S	.	.			trans	-71.7	164.8	171.9	-75.5	-172.6	173.6	0	0	112.1	P412 V413 G415 W473 A474 T475	P412-E471 HydrophobicContact CB-CG 4.04Å; V413-E471 WeakPolarHBondContact O-CG 3.41Å; G415-E471 PolarHBondContact N-OE2 2.99Å; E471-W473 VanDerWaalsContact CB-CD1 3.47Å; E471-W473 HydrophobicContact CB-CG 4.46Å; E471-W473 PolarHBondContact O-N 3.18Å; E471-W473 VanDerWaalsContact OE2-CD1 3.25Å; E471-W473 PolarHBondContact OE2-NE1 3.46Å; E471-A474 WeakPolarHBondContact O-CA 3.31Å; E471-A474 WeakPolarHBondContact O-CB 3.4Å; E471-A474 PolarHBondContact O-N 3.36Å; E471-T475 PolarHBondContact O-N 3.07Å
472	K	79.3	Confident	86.1	Confident	190 Å²	190	54.9 Å²	54.9	83%	0.826	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.9	-179.5	-67.5	-174.2	179.7	179.8	0	114.3	A474 T475	K472-A474 VanDerWaalsContact C-N 3.33Å; K472-T475 CarbonylContact O-C 3.33Å; K472-T475 PolarHBondContact O-N 2.89Å; K472-T475 VanDerWaalsContact O-O 3.1Å
473	W	79.7	Confident	86.1	Confident	39 Å²	39	59.9 Å²	59.9	15%	0.148	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.5	178.4	72.6	-98.7	0	0	0	112.5	V413 E471 R481 R483	V413-W473 HydrophobicContact CG1-CH2 4.3Å; V413-W473 HydrophobicContact CG1-CZ2 3.53Å; E471-W473 VanDerWaalsContact CB-CD1 3.47Å; E471-W473 HydrophobicContact CB-CG 4.46Å; E471-W473 PolarHBondContact O-N 3.18Å; E471-W473 VanDerWaalsContact OE2-CD1 3.25Å; E471-W473 PolarHBondContact OE2-NE1 3.46Å; W473-R481 HydrophobicContact CZ3-CB 4.33Å; W473-R483 HydrophobicContact CE3-CG 4.21Å; W473-R483 HydrophobicContact CH2-CB 4.37Å; W473-R483 HydrophobicContact CH2-CG 3.47Å; W473-R483 VanDerWaalsContact CH2-CG 3.47Å; W473-R483 HydrophobicContact CZ2-CG 4.25Å; W473-R483 HydrophobicContact CZ3-CG 3.45Å; W473-R483 VanDerWaalsContact CZ3-CG 3.45Å
474	A	85.3	Confident	86.4	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24.2	178.1	0	0	0	0	0	111.4	L470 E471 K472 L480 R481	L470-A474 HydrophobicContact CB-CB 4.25Å; L470-A474 HydrophobicContact CD2-CB 4.2Å; E471-A474 WeakPolarHBondContact O-CA 3.31Å; E471-A474 WeakPolarHBondContact O-CB 3.4Å; E471-A474 PolarHBondContact O-N 3.36Å; K472-A474 VanDerWaalsContact C-N 3.33Å; A474-L480 CarbonylContact O-C 3.57Å; A474-L480 VanDerWaalsContact O-CA 3.26Å; A474-L480 WeakPolarHBondContact O-CA 3.23Å; A474-R481 PolarHBondContact O-N 3.09Å
475	T	85	Confident	86.7	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	77.6	177.4	62.8	0	0	0	0	110.6	F464 L470 E471 K472 L480	F464-T475 HydrophobicContact CB-CG2 4.04Å; L470-T475 HydrophobicContact CB-CG2 3.94Å; L470-T475 HydrophobicContact CD1-CG2 4.08Å; E471-T475 PolarHBondContact O-N 3.07Å; K472-T475 CarbonylContact O-C 3.33Å; K472-T475 PolarHBondContact O-N 2.89Å; K472-T475 VanDerWaalsContact O-O 3.1Å; T475-L480 HydrophobicContact CG2-CD2 3.91Å
476	N	81.9	Confident	87.3	Confident	100 Å²	100	50.1 Å²	50.1	54%	0.535	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113	179.9	-172.7	5	0	0	0	111.1	N478 T479	N476-N478 PolarHBondContact O-N 3.14Å; N476-N478 VanDerWaalsContact O-N 3.16Å; N476-T479 PolarHBondContact N-O 3.21Å; N476-T479 PolarHBondContact O-N 3.29Å
477	G	86.1	Confident	87.8	Confident	52 Å²	52	47.6 Å²	47.6	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-116.9	-179.8	0	0	0	0	0	111.5
478	N	91.7	Very high	88.3	Confident	50 Å²	50	49.2 Å²	49.2	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	14.2	178.3	-157.6	46.2	0	0	0	113.4	S449 L450 T451 H460 N476	S449-N478 CarbonylContact C-O 3.59Å; S449-N478 WeakPolarHBondContact CA-O 3.41Å; S449-N478 PolarHBondContact OG-ND2 2.99Å; S449-N478 VanDerWaalsContact OG-ND2 3.14Å; L450-N478 WeakPolarHBondContact CB-OD1 3.29Å; L450-N478 PolarHBondContact N-O 2.81Å; T451-N478 VanDerWaalsContact CG2-ND2 3.26Å; T451-N478 WeakPolarHBondContact CG2-ND2 3.37Å; T451-N478 PolarHBondContact OG1-ND2 3.39Å; H460-N478 PolarHBondContact CE1-OD1 3.22Å; H460-N478 PolarHBondContact NE2-OD1 3.27Å; N476-N478 PolarHBondContact O-N 3.14Å; N476-N478 VanDerWaalsContact O-N 3.16Å
479	T	93.8	Very high	89	Confident	36 Å²	36	44.4 Å²	44.4	22%	0.221	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	-170	-53.2	0	0	0	0	110.7	L448 N476 R481	L448-T479 WeakPolarHBondContact O-CA 3.09Å; N476-T479 PolarHBondContact N-O 3.21Å; N476-T479 PolarHBondContact O-N 3.29Å; T479-R481 HydrophobicContact CG2-CG 4.08Å
480	L	94.6	Very high	89.7	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.6	166.8	-65.9	172	0	0	0	109.8	I373 F442 S447 L448 L450 F455 F464 L470 A474 T475	I373-L480 HydrophobicContact CD1-CD1 3.57Å; I373-L480 HydrophobicContact CG1-CD1 4.5Å; F442-L480 HydrophobicContact CE2-CB 4.23Å; S447-L480 CarbonylContact C-O 3.45Å; S447-L480 WeakPolarHBondContact CA-O 3.39Å; S447-L480 VanDerWaalsContact CB-O 3.31Å; S447-L480 WeakPolarHBondContact CB-O 3.28Å; L448-L480 PolarHBondContact N-O 3.04Å; L448-L480 PolarHBondContact O-N 3.14Å; L450-L480 HydrophobicContact CD2-CD1 3.54Å; L450-L480 HydrophobicContact CD2-CD2 4.12Å; L450-L480 HydrophobicContact CD2-CG 3.56Å; L450-L480 HydrophobicContact CG-CG 4.46Å; F455-L480 HydrophobicContact CE2-CD1 4.48Å; F455-L480 HydrophobicContact CZ-CD1 3.83Å; F464-L480 HydrophobicContact CB-CD2 3.78Å; F464-L480 HydrophobicContact CD1-CD1 4.04Å; F464-L480 HydrophobicContact CD1-CD2 4.03Å; F464-L480 HydrophobicContact CD2-CD1 3.98Å; F464-L480 HydrophobicContact CD2-CD2 4.14Å; F464-L480 HydrophobicContact CD2-CG 4.49Å; F464-L480 HydrophobicContact CE1-CD1 3.85Å; F464-L480 HydrophobicContact CE2-CD1 3.78Å; F464-L480 HydrophobicContact CG-CD1 4.1Å; F464-L480 HydrophobicContact CG-CD2 3.74Å; F464-L480 HydrophobicContact CG-CG 4.49Å; F464-L480 HydrophobicContact CZ-CD1 3.73Å; L470-L480 HydrophobicContact CD1-CD2 4.41Å; A474-L480 CarbonylContact O-C 3.57Å; A474-L480 VanDerWaalsContact O-CA 3.26Å; A474-L480 WeakPolarHBondContact O-CA 3.23Å; T475-L480 HydrophobicContact CG2-CD2 3.91Å
481	R	94.7	Very high	89.8	Confident	95 Å²	95	50.1 Å²	50.1	36%	0.358	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.8	-176.1	-59.5	-179.2	177.3	-96.9	-0.4	112.6	G446 W473 A474 T479	G446-R481 CarbonylContact O-C 3.5Å; G446-R481 VanDerWaalsContact O-CA 3.23Å; G446-R481 WeakPolarHBondContact O-CA 3.38Å; W473-R481 HydrophobicContact CZ3-CB 4.33Å; A474-R481 PolarHBondContact O-N 3.09Å; T479-R481 HydrophobicContact CG2-CG 4.08Å
482	H	93.2	Very high	89.4	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.065	25%	0.254	C	S	.	.			trans	-124.6	176.1	159.9	71.2	72.5	0	0	0	110.3	F442 L443 G446 F484	F442-H482 AromaticContact CD1-CD2 3.87Å; F442-H482 AromaticContact CE1-CD2 3.57Å; F442-H482 AromaticContact CE2-CD2 3.94Å; F442-H482 HydrophobicContact CZ-CB 4.16Å; F442-H482 AromaticContact CZ-CD2 3.61Å; F442-H482 PolarHBondContact O-CD2 3.16Å; F442-H482 PolarHBondContact O-NE2 2.98Å; L443-H482 VanDerWaalsContact CA-NE2 3.28Å; L443-H482 WeakPolarHBondContact CA-NE2 3.33Å; L443-H482 PolarHBondContact O-CE1 3.26Å; L443-H482 VanDerWaalsContact O-CE1 3.28Å; L443-H482 PolarHBondContact O-NE2 3.44Å; G446-H482 PolarHBondContact O-N 3.11Å; H482-F484 PolarHBondContact CE1-O 3.43Å; H482-F484 PolarHBondContact ND1-N 2.99Å; H482-F484 PolarHBondContact ND1-O 2.94Å
483	R	91	Very high	89.1	Confident	106 Å²	106	49.4 Å²	49.4	40%	0.4	26%	0.255	S	S	.	.			trans	-117.2	-7.4	-175.7	-67	-60.9	179.3	172.4	3.7	115.5	W380 W473 T485	W380-R483 HydrophobicContact CE3-CB 4.21Å; W380-R483 HydrophobicContact CH2-CB 3.33Å; W380-R483 HydrophobicContact CH2-CG 4.18Å; W380-R483 HydrophobicContact CZ2-CB 3.95Å; W380-R483 HydrophobicContact CZ2-CG 4.36Å; W380-R483 HydrophobicContact CZ3-CB 3.5Å; W380-R483 VanDerWaalsContact CZ3-CB 3.5Å; W473-R483 HydrophobicContact CE3-CG 4.21Å; W473-R483 HydrophobicContact CH2-CB 4.37Å; W473-R483 HydrophobicContact CH2-CG 3.47Å; W473-R483 VanDerWaalsContact CH2-CG 3.47Å; W473-R483 HydrophobicContact CZ2-CG 4.25Å; W473-R483 HydrophobicContact CZ3-CG 3.45Å; W473-R483 VanDerWaalsContact CZ3-CG 3.45Å; R483-T485 PolarHBondContact O-N 2.82Å
484	F	93.8	Very high	89	Confident	10 Å²	10	52.5 Å²	52.5	4%	0.044	27%	0.271	C	S	.	.			trans	-59.9	139.9	164.6	-56.6	-65.9	0	0	0	110.1	T376 L379 W380 I383 V425 H482 F486 T515	T376-F484 HydrophobicContact CG2-CD2 4.43Å; T376-F484 WeakPolarHBondContact O-CE2 3.4Å; L379-F484 HydrophobicContact CB-CE2 4.44Å; L379-F484 HydrophobicContact CB-CZ 4.35Å; L379-F484 HydrophobicContact CD2-CE2 3.98Å; L379-F484 HydrophobicContact CD2-CZ 3.8Å; L379-F484 HydrophobicContact CG-CE2 4.25Å; L379-F484 HydrophobicContact CG-CZ 3.81Å; W380-F484 HydrophobicContact CB-CE2 4.28Å; W380-F484 HydrophobicContact CB-CZ 4.12Å; W380-F484 HydrophobicContact CD2-CZ 4.49Å; W380-F484 HydrophobicContact CE3-CD1 4.17Å; W380-F484 HydrophobicContact CE3-CD2 4.46Å; W380-F484 AromaticContact CE3-CE1 3.68Å; W380-F484 HydrophobicContact CE3-CE1 3.68Å; W380-F484 HydrophobicContact CE3-CE2 4.03Å; W380-F484 AromaticContact CE3-CZ 3.61Å; W380-F484 HydrophobicContact CE3-CZ 3.61Å; W380-F484 HydrophobicContact CZ3-CD1 4.24Å; W380-F484 HydrophobicContact CZ3-CE1 4.09Å; W380-F484 HydrophobicContact CZ3-CZ 4.45Å; I383-F484 HydrophobicContact CD1-CE1 4.22Å; I383-F484 HydrophobicContact CD1-CZ 4.26Å; V425-F484 HydrophobicContact CB-CD1 4.3Å; V425-F484 HydrophobicContact CB-CE1 4.3Å; V425-F484 HydrophobicContact CG2-CD1 4.02Å; V425-F484 HydrophobicContact CG2-CE1 3.62Å; H482-F484 PolarHBondContact CE1-O 3.43Å; H482-F484 PolarHBondContact ND1-N 2.99Å; H482-F484 PolarHBondContact ND1-O 2.94Å; F484-F486 HydrophobicContact CB-CD1 4.44Å; F484-F486 HydrophobicContact CB-CD2 3.65Å; F484-F486 HydrophobicContact CB-CE1 4.09Å; F484-F486 HydrophobicContact CB-CE2 3.24Å; F484-F486 HydrophobicContact CB-CG 4.24Å; F484-F486 HydrophobicContact CB-CZ 3.48Å; F484-F486 VanDerWaalsContact CB-CZ 3.48Å; F484-F486 HydrophobicContact CD1-CZ 4.14Å; F484-F486 AromaticContact CD2-CE2 3.88Å; F484-F486 HydrophobicContact CD2-CE2 3.88Å; F484-F486 HydrophobicContact CD2-CZ 4.02Å; F484-F486 HydrophobicContact CG-CE1 4.45Å; F484-F486 AromaticContact CG-CE2 3.7Å; F484-F486 HydrophobicContact CG-CE2 3.7Å; F484-F486 AromaticContact CG-CZ 3.62Å; F484-F486 HydrophobicContact CG-CZ 3.62Å; F484-T515 HydrophobicContact CD1-CG2 4.37Å
485	T	93.5	Very high	89	Confident	38 Å²	38	53 Å²	53	23%	0.233	28%	0.276	C	S	.	.			trans	-112.7	70.9	179.9	35.5	0	0	0	0	108.3	R483 T515 R516 Q517	R483-T485 PolarHBondContact O-N 2.82Å; T485-T515 WeakPolarHBondContact O-CA 3.25Å; T485-R516 WeakPolarHBondContact O-CG 3.47Å; T485-R516 PolarHBondContact O-N 3.32Å; T485-Q517 PolarHBondContact OG1-NE2 2.89Å; T485-Q517 PolarHBondContact OG1-OE1 3.38Å
486	F	97	Very high	89.2	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.4	-173.6	-69.1	-56.7	0	0	0	112.3	V425 L427 L443 F484 L513 Y514 T515	V425-F486 HydrophobicContact CB-CE1 4.19Å; V425-F486 HydrophobicContact CG1-CE1 3.99Å; V425-F486 HydrophobicContact CG1-CZ 4.02Å; L427-F486 HydrophobicContact CB-CE1 4.17Å; L427-F486 HydrophobicContact CB-CZ 3.94Å; L427-F486 HydrophobicContact CD1-CE2 4.21Å; L427-F486 HydrophobicContact CD1-CZ 4.22Å; L443-F486 HydrophobicContact CD2-CD2 4.33Å; L443-F486 HydrophobicContact CD2-CE2 4.29Å; L443-F486 WeakPolarHBondContact O-CD2 3.38Å; F484-F486 HydrophobicContact CB-CD1 4.44Å; F484-F486 HydrophobicContact CB-CD2 3.65Å; F484-F486 HydrophobicContact CB-CE1 4.09Å; F484-F486 HydrophobicContact CB-CE2 3.24Å; F484-F486 HydrophobicContact CB-CG 4.24Å; F484-F486 HydrophobicContact CB-CZ 3.48Å; F484-F486 VanDerWaalsContact CB-CZ 3.48Å; F484-F486 HydrophobicContact CD1-CZ 4.14Å; F484-F486 AromaticContact CD2-CE2 3.88Å; F484-F486 HydrophobicContact CD2-CE2 3.88Å; F484-F486 HydrophobicContact CD2-CZ 4.02Å; F484-F486 HydrophobicContact CG-CE1 4.45Å; F484-F486 AromaticContact CG-CE2 3.7Å; F484-F486 HydrophobicContact CG-CE2 3.7Å; F484-F486 AromaticContact CG-CZ 3.62Å; F484-F486 HydrophobicContact CG-CZ 3.62Å; F486-L513 HydrophobicContact CB-CB 4.07Å; F486-L513 HydrophobicContact CB-CD2 3.86Å; F486-L513 HydrophobicContact CD1-CB 4.03Å; F486-L513 HydrophobicContact CG-CB 4.07Å; F486-L513 HydrophobicContact CG-CD2 4.39Å; F486-Y514 CarbonylContact C-O 3.48Å; F486-Y514 WeakPolarHBondContact CA-O 3.49Å; F486-T515 HydrophobicContact CD1-CG2 4.21Å; F486-T515 HydrophobicContact CE1-CG2 4Å
487	N	95.4	Very high	89.5	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.214	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.7	156.7	-85.6	12.6	0	0	0	108.8	L513 Y514 R516	N487-L513 VanDerWaalsContact O-CA 3.3Å; N487-L513 WeakPolarHBondContact O-CA 3.26Å; N487-Y514 HydrophobicContact CB-CD2 4.44Å; N487-Y514 HydrophobicContact CB-CE2 3.87Å; N487-Y514 PolarHBondContact N-O 2.89Å; N487-Y514 PolarHBondContact O-N 2.79Å; N487-R516 HydrophobicContact CB-CB 4.07Å; N487-R516 WeakPolarHBondContact OD1-CD 3.5Å
488	R	95.6	Very high	89.8	Confident	41 Å²	41	48.9 Å²	48.9	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.4	167.4	-55.7	-175.6	-64.5	-171.4	2.1	109.6	T444 Y490 E492 L513	T444-R488 HydrophobicContact CG2-CG 3.86Å; R488-Y490 VanDerWaalsContact CB-O 3.22Å; R488-Y490 WeakPolarHBondContact CB-O 3.41Å; R488-E492 IonicContact CZ-OE1 3.43Å; R488-E492 IonicContact NH1-OE1 2.79Å; R488-E492 PolarHBondContact NH1-OE1 2.99Å; R488-E492 IonicContact NH2-OE1 2.8Å; R488-E492 PolarHBondContact NH2-OE1 2.85Å; R488-L513 HydrophobicContact CG-CD2 4.18Å
489	A	96	Very high	90	Very high	7 Å²	7	46.5 Å²	46.5	6%	0.058	23%	0.233	C	C	.	.	S	Bend	trans	-73.4	-33.6	172.5	0	0	0	0	0	113	V512 Y514 L521 V555	A489-V512 HydrophobicContact CB-CB 4.1Å; A489-V512 HydrophobicContact CB-CG1 4.33Å; A489-V512 WeakPolarHBondContact CB-O 3.17Å; A489-V512 PolarHBondContact N-O 2.93Å; A489-Y514 HydrophobicContact CB-CD1 4.36Å; A489-Y514 HydrophobicContact CB-CE1 4.01Å; A489-L521 HydrophobicContact CB-CD1 4.18Å; A489-L521 HydrophobicContact CB-CD2 4.45Å; A489-L521 VanDerWaalsContact O-CD2 3.25Å; A489-L521 WeakPolarHBondContact O-CD2 3.33Å; A489-V555 HydrophobicContact CB-CG1 3.66Å
490	Y	94.5	Very high	90.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	22%	0.224	C	C	.	.	S	Bend	trans	-109.3	132.5	173.1	-63.5	-80.5	0	0	0	109.1	R488 M496 L525 L553 L554 V555	R488-Y490 VanDerWaalsContact CB-O 3.22Å; R488-Y490 WeakPolarHBondContact CB-O 3.41Å; Y490-M496 HydrophobicContact CD1-CB 3.66Å; Y490-M496 HydrophobicContact CD1-CG 3.73Å; Y490-M496 VanDerWaalsContact CD1-N 3.32Å; Y490-M496 HydrophobicContact CD2-CB 4.41Å; Y490-M496 HydrophobicContact CD2-CG 4.43Å; Y490-M496 HydrophobicContact CE1-CB 3.89Å; Y490-M496 HydrophobicContact CE1-CG 3.37Å; Y490-M496 HydrophobicContact CE2-CG 4.16Å; Y490-M496 HydrophobicContact CG-CB 3.9Å; Y490-M496 HydrophobicContact CG-CG 4.21Å; Y490-L525 WeakPolarHBondContact CE1-O 3.28Å; Y490-L525 PolarHBondContact OH-N 3.2Å; Y490-L525 PolarHBondContact OH-O 3.2Å; Y490-L553 HydrophobicContact CD2-CD2 3.88Å; Y490-L553 HydrophobicContact CD2-CG 4.19Å; Y490-L553 HydrophobicContact CE2-CB 3.94Å; Y490-L553 HydrophobicContact CE2-CD2 3.89Å; Y490-L553 HydrophobicContact CE2-CG 3.76Å; Y490-L554 PolarHBondContact OH-N 2.91Å; Y490-L554 PolarHBondContact OH-O 3.35Å; Y490-L554 VanDerWaalsContact OH-O 3.06Å; Y490-V555 HydrophobicContact CE2-CG1 3.74Å
491	R	83.9	Confident	90.4	Very high	135 Å²	135	45.6 Å²	45.6	51%	0.509	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-115.4	158.5	179	-64.7	-178.5	-179.1	-174.1	-0.1	108.9	S493 E494	R491-S493 PolarHBondContact O-N 3.23Å; R491-E494 PolarHBondContact O-N 3.03Å; R491-E494 VanDerWaalsContact O-N 3.08Å
492	E	71.3	Confident	90.4	Very high	122 Å²	122	42 Å²	42	57%	0.57	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	139	172.8	-74.4	141.2	-123	0	0	110.2	P435 R488 E494	P435-E492 HydrophobicContact CB-CG 4.5Å; R488-E492 IonicContact CZ-OE1 3.43Å; R488-E492 IonicContact NH1-OE1 2.79Å; R488-E492 PolarHBondContact NH1-OE1 2.99Å; R488-E492 IonicContact NH2-OE1 2.8Å; R488-E492 PolarHBondContact NH2-OE1 2.85Å; E492-E494 PolarHBondContact O-N 3.15Å
493	S	72.6	Confident	90.4	Very high	122 Å²	122	44 Å²	44	85%	0.853	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	1.1	-174	72.2	0	0	0	0	118.2	R491	R491-S493 PolarHBondContact O-N 3.23Å
494	E	78.9	Confident	90.3	Very high	104 Å²	104	44.8 Å²	44.8	49%	0.486	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-129.4	111.2	-176.8	-74	-172.6	-172	0	0	113.8	R181 R491 E492	R181-E494 PolarHBondContact NH1-O 2.78Å; R181-E494 IonicContact NH2-OE2 3.73Å; R491-E494 PolarHBondContact O-N 3.03Å; R491-E494 VanDerWaalsContact O-N 3.08Å; E492-E494 PolarHBondContact O-N 3.15Å
495	G	83.4	Confident	90.4	Very high	13 Å²	13	48 Å²	48	13%	0.134	25%	0.248	C	C	.	.	S	Bend	trans	87.5	-115.6	176.5	0	0	0	0	0	111.1	R181 C497 D526 Q527	R181-G495 VanDerWaalsContact NH1-N 3.11Å; G495-C497 PolarHBondContact O-N 3.08Å; G495-D526 WeakPolarHBondContact CA-OD1 3.06Å; G495-Q527 WeakPolarHBondContact O-CB 3.19Å
496	M	89.9	Confident	90.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.261	C	S	.	.			trans	-82	115.1	177.8	-65.7	-68.1	-64.8	0	0	110.7	R178 Y490 L498 T499 Q527 F551	R178-M496 PolarHBondContact NH2-SD 3.03Å; Y490-M496 HydrophobicContact CD1-CB 3.66Å; Y490-M496 HydrophobicContact CD1-CG 3.73Å; Y490-M496 VanDerWaalsContact CD1-N 3.32Å; Y490-M496 HydrophobicContact CD2-CB 4.41Å; Y490-M496 HydrophobicContact CD2-CG 4.43Å; Y490-M496 HydrophobicContact CE1-CB 3.89Å; Y490-M496 HydrophobicContact CE1-CG 3.37Å; Y490-M496 HydrophobicContact CE2-CG 4.16Å; Y490-M496 HydrophobicContact CG-CB 3.9Å; Y490-M496 HydrophobicContact CG-CG 4.21Å; M496-L498 WeakPolarHBondContact CE-O 3.33Å; M496-T499 HydrophobicContact CB-CG2 4.42Å; M496-T499 HydrophobicContact CE-CG2 4.18Å; M496-Q527 HydrophobicContact SD-CB 4.44Å; M496-F551 HydrophobicContact CE-CB 3.7Å; M496-F551 HydrophobicContact CE-CD2 4.35Å; M496-F551 HydrophobicContact CE-CG 4.45Å
497	C	89.2	Confident	90.3	Very high	63 Å²	63	52.2 Å²	52.2	43%	0.426	27%	0.265	S	S	.	.	S	Bend	trans	-100.5	-20.4	170.1	56.6	0	0	0	0	112.2	G495 Q527 E530	G495-C497 PolarHBondContact O-N 3.08Å; C497-Q527 PolarHBondContact SG-OE1 2.91Å; C497-E530 PolarHBondContact SG-OE1 2.98Å
498	L	92.3	Very high	90.3	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.115	26%	0.258	C	S	.	.			trans	-136	116.1	-172.9	175.9	68.7	0	0	0	108.1	M496 N500 F501 K506 Q527 F551	M496-L498 WeakPolarHBondContact CE-O 3.33Å; L498-N500 WeakPolarHBondContact CD1-O 3.28Å; L498-F501 HydrophobicContact CD1-CB 4.38Å; L498-F501 HydrophobicContact CD2-CB 3.94Å; L498-F501 HydrophobicContact CD2-CD2 3.81Å; L498-F501 HydrophobicContact CD2-CG 4.03Å; L498-F501 HydrophobicContact CG-CB 4.23Å; L498-K506 HydrophobicContact CD1-CB 3.7Å; L498-Q527 PolarHBondContact O-NE2 2.97Å; L498-Q527 PolarHBondContact O-OE1 3.39Å; L498-Q527 VanDerWaalsContact O-OE1 3.05Å; L498-F551 HydrophobicContact CD2-CE2 4.07Å; L498-F551 HydrophobicContact CG-CE2 4.14Å; L498-F551 WeakPolarHBondContact O-CD2 3.17Å
499	T	96.5	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-111.9	-28.5	179.8	71.1	0	0	0	0	112.3	M496 G507 M508 I509 D510 H550 F551 L553	M496-T499 HydrophobicContact CB-CG2 4.42Å; M496-T499 HydrophobicContact CE-CG2 4.18Å; T499-G507 PolarHBondContact N-O 2.85Å; T499-M508 HydrophobicContact CG2-CB 4.29Å; T499-M508 HydrophobicContact CG2-CG 3.82Å; T499-I509 PolarHBondContact OG1-N 3.27Å; T499-D510 WeakPolarHBondContact CB-OD2 3.35Å; T499-D510 HydrophobicContact CG2-CB 4.19Å; T499-D510 PolarHBondContact OG1-N 2.93Å; T499-D510 PolarHBondContact OG1-OD2 3.14Å; T499-H550 CarbonylContact O-C 3.51Å; T499-H550 WeakPolarHBondContact O-CA 3.16Å; T499-F551 PolarHBondContact O-N 2.87Å; T499-L553 HydrophobicContact CG2-CD1 3.81Å
500	N	97.9	Very high	90.6	Very high	9 Å²	9	49 Å²	49	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.4	168.3	179.1	-78.1	0	0	0	110.1	L498 F505 K506 G507 I509 D549 H550	L498-N500 WeakPolarHBondContact CD1-O 3.28Å; N500-F505 HydrophobicContact CB-CD1 4.47Å; N500-F505 HydrophobicContact CB-CE1 4.25Å; N500-F505 WeakPolarHBondContact OD1-CD1 3.16Å; N500-K506 WeakPolarHBondContact O-CA 3.19Å; N500-G507 PolarHBondContact N-O 3.5Å; N500-G507 PolarHBondContact O-N 2.87Å; N500-G507 VanDerWaalsContact O-N 3.09Å; N500-I509 HydrophobicContact CB-CD1 3.68Å; N500-I509 HydrophobicContact CB-CG1 3.83Å; N500-D549 CarbonylContact C-O 3.52Å; N500-D549 WeakPolarHBondContact CA-O 3.39Å; N500-D549 PolarHBondContact ND2-OD2 3.29Å; N500-H550 PolarHBondContact ND2-CD2 3.41Å; N500-H550 PolarHBondContact ND2-CE1 2.85Å; N500-H550 PolarHBondContact ND2-NE2 3.04Å
501	F	96.9	Very high	90.7	Very high	12 Å²	12	49 Å²	49	5%	0.053	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	101.1	-177.6	179.1	-123.2	0	0	0	110.8	L498 K506 F533 I538 C541 D549 F551	L498-F501 HydrophobicContact CD1-CB 4.38Å; L498-F501 HydrophobicContact CD2-CB 3.94Å; L498-F501 HydrophobicContact CD2-CD2 3.81Å; L498-F501 HydrophobicContact CD2-CG 4.03Å; L498-F501 HydrophobicContact CG-CB 4.23Å; F501-K506 HydrophobicContact CD2-CB 4.4Å; F501-K506 HydrophobicContact CD2-CD 3.7Å; F501-K506 HydrophobicContact CD2-CG 3.69Å; F501-K506 HydrophobicContact CE2-CD 3.55Å; F501-K506 HydrophobicContact CE2-CG 4.06Å; F501-F533 HydrophobicContact CD1-CD1 4.22Å; F501-F533 AromaticContact CD1-CE1 3.96Å; F501-F533 HydrophobicContact CD1-CE1 3.96Å; F501-F533 AromaticContact CE1-CD1 3.51Å; F501-F533 HydrophobicContact CE1-CD1 3.51Å; F501-F533 AromaticContact CE1-CE1 3.72Å; F501-F533 HydrophobicContact CE1-CE1 3.72Å; F501-F533 HydrophobicContact CE1-CG 4.19Å; F501-F533 HydrophobicContact CZ-CD1 4.19Å; F501-F533 HydrophobicContact CZ-CG 4.49Å; F501-I538 HydrophobicContact CE1-CG2 4.27Å; F501-C541 HydrophobicContact CD1-CB 4.21Å; F501-C541 WeakPolarHBondContact O-CA 3.28Å; F501-C541 WeakPolarHBondContact O-CB 3.35Å; F501-C541 PolarHBondContact O-N 3.28Å; F501-D549 PolarHBondContact N-O 3.2Å; F501-F551 HydrophobicContact CB-CE2 3.83Å; F501-F551 HydrophobicContact CB-CZ 3.94Å; F501-F551 HydrophobicContact CD1-CZ 4.27Å; F501-F551 HydrophobicContact CG-CZ 4.45Å
502	T	96.4	Very high	91.4	Very high	18 Å²	18	42.8 Å²	42.8	11%	0.11	23%	0.227	C	C	.	.			trans	-120	175.6	172.8	65.8	0	0	0	0	110.6	Y211 Y213 F505 K506 D549	Y211-T502 HydrophobicContact CE1-CG2 4.08Å; Y213-T502 VanDerWaalsContact OH-CA 3.27Å; Y213-T502 WeakPolarHBondContact OH-CA 3.12Å; Y213-T502 VanDerWaalsContact OH-CB 3.3Å; Y213-T502 WeakPolarHBondContact OH-CB 3.35Å; T502-F505 WeakPolarHBondContact CA-O 3.01Å; T502-F505 PolarHBondContact N-O 2.85Å; T502-F505 PolarHBondContact OG1-N 2.93Å; T502-F505 PolarHBondContact OG1-O 2.83Å; T502-K506 WeakPolarHBondContact O-CE 3.41Å; T502-D549 HydrophobicContact CG2-CB 3.85Å
503	Y	91.6	Very high	92.7	Very high	58 Å²	58	37 Å²	37	23%	0.227	20%	0.2	C	C	.	.	S	Bend	trans	-62.6	-43.6	173.7	178.5	-108.7	0	0	0	111.7	E105 N128 Y213 L539	E105-Y503 PolarHBondContact OE1-OH 3.02Å; N128-Y503 PolarHBondContact ND2-OH 2.6Å; N128-Y503 VanDerWaalsContact ND2-OH 3.17Å; Y213-Y503 HydrophobicContact CD1-CG 4.44Å; Y213-Y503 PolarHBondContact OH-N 3.13Å; Y503-L539 HydrophobicContact CD2-CB 4Å; Y503-L539 HydrophobicContact CD2-CD1 4.4Å; Y503-L539 HydrophobicContact CD2-CD2 4.43Å; Y503-L539 HydrophobicContact CE2-CD1 4.42Å; Y503-L539 HydrophobicContact CE2-CD2 4.37Å
504	D	90.2	Very high	93.9	Very high	121 Å²	121	32 Å²	32	65%	0.647	16%	0.162	S	C	*	.	S	Bend	trans	-89	-25.5	-174.1	-61	-46.7	0	0	0	113.7
505	F	95.1	Very high	94.8	Very high	77 Å²	77	27.1 Å²	27.1	34%	0.338	14%	0.14	S	C	.	.			trans	-140.1	138.1	-175.7	176.3	-98.3	0	0	0	112.7	L434 N500 T502 I509	L434-F505 HydrophobicContact CD2-CE2 4.27Å; L434-F505 HydrophobicContact CD2-CZ 3.89Å; N500-F505 HydrophobicContact CB-CD1 4.47Å; N500-F505 HydrophobicContact CB-CE1 4.25Å; N500-F505 WeakPolarHBondContact OD1-CD1 3.16Å; T502-F505 WeakPolarHBondContact CA-O 3.01Å; T502-F505 PolarHBondContact N-O 2.85Å; T502-F505 PolarHBondContact OG1-N 2.93Å; T502-F505 PolarHBondContact OG1-O 2.83Å; F505-I509 HydrophobicContact CE1-CD1 4.12Å; F505-I509 HydrophobicContact CE1-CG2 4.04Å; F505-I509 HydrophobicContact CZ-CG2 3.82Å
506	K	94.8	Very high	95.3	Very high	121 Å²	121	32.9 Å²	32.9	53%	0.526	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	119.2	177.9	-52.4	179.4	-176.5	175.4	0	107.7	L498 N500 F501 T502	L498-K506 HydrophobicContact CD1-CB 3.7Å; N500-K506 WeakPolarHBondContact O-CA 3.19Å; F501-K506 HydrophobicContact CD2-CB 4.4Å; F501-K506 HydrophobicContact CD2-CD 3.7Å; F501-K506 HydrophobicContact CD2-CG 3.69Å; F501-K506 HydrophobicContact CE2-CD 3.55Å; F501-K506 HydrophobicContact CE2-CG 4.06Å; T502-K506 WeakPolarHBondContact O-CE 3.41Å
507	G	94.6	Very high	95.5	Very high	9 Å²	9	35.3 Å²	35.3	9%	0.093	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	169.9	177.8	0	0	0	0	0	114.6	T499 N500	T499-G507 PolarHBondContact N-O 2.85Å; N500-G507 PolarHBondContact N-O 3.5Å; N500-G507 PolarHBondContact O-N 2.87Å; N500-G507 VanDerWaalsContact O-N 3.09Å
508	M	95.9	Very high	95.8	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.059	15%	0.15	C	C	.	.			trans	-88	109.5	168.9	179.5	179.8	-168.4	0	0	108.9	P435 T499 Y511	P435-M508 HydrophobicContact CG-CB 4.25Å; P435-M508 HydrophobicContact CG-SD 4.38Å; T499-M508 HydrophobicContact CG2-CB 4.29Å; T499-M508 HydrophobicContact CG2-CG 3.82Å; M508-Y511 HydrophobicContact CE-CD1 3.67Å; M508-Y511 HydrophobicContact CE-CE1 3.66Å; M508-Y511 HydrophobicContact CG-CE1 4.05Å; M508-Y511 PolarHBondContact O-OH 2.95Å; M508-Y511 HydrophobicContact SD-CE1 3.95Å
509	I	97.7	Very high	96	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.036	15%	0.146	C	C	.	.			trans	-127.2	-7	176.9	58.2	171.7	0	0	0	112.9	L431 L434 T499 N500 F505 Y511	L431-I509 PolarHBondContact N-O 3.27Å; L434-I509 HydrophobicContact CD2-CG2 4.18Å; T499-I509 PolarHBondContact OG1-N 3.27Å; N500-I509 HydrophobicContact CB-CD1 3.68Å; N500-I509 HydrophobicContact CB-CG1 3.83Å; F505-I509 HydrophobicContact CE1-CD1 4.12Å; F505-I509 HydrophobicContact CE1-CG2 4.04Å; F505-I509 HydrophobicContact CZ-CG2 3.82Å; I509-Y511 VanDerWaalsContact C-CE2 3.48Å; I509-Y511 WeakPolarHBondContact O-CD2 3.22Å; I509-Y511 WeakPolarHBondContact O-CE2 3.49Å
510	D	98.5	Very high	95.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137	174.9	-53.4	-88	0	0	0	110.1	G429 T499 H550 L553	G429-D510 WeakPolarHBondContact O-CA 3.31Å; T499-D510 WeakPolarHBondContact CB-OD2 3.35Å; T499-D510 HydrophobicContact CG2-CB 4.19Å; T499-D510 PolarHBondContact OG1-N 2.93Å; T499-D510 PolarHBondContact OG1-OD2 3.14Å; D510-H550 VanDerWaalsContact CG-ND1 3.33Å; D510-H550 IonicContact OD1-CE1 3.79Å; D510-H550 IonicContact OD1-ND1 2.73Å; D510-H550 PolarHBondContact OD1-ND1 2.82Å; D510-H550 IonicContact OD2-CE1 2.79Å; D510-H550 IonicContact OD2-CG 3.7Å; D510-H550 IonicContact OD2-ND1 3.45Å; D510-H550 PolarHBondContact OD2-ND1 3.43Å; D510-L553 HydrophobicContact CB-CD1 3.78Å; D510-L553 HydrophobicContact CB-CD2 4.25Å; D510-L553 WeakPolarHBondContact O-CD2 3.28Å
511	Y	98.1	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.9	-174.6	-61.9	-90.8	0	0	0	112.5	C428 G429 L431 S433 L434 P435 V440 M508 I509 L513	C428-Y511 CarbonylContact C-O 3.46Å; C428-Y511 WeakPolarHBondContact CA-O 3.3Å; C428-Y511 WeakPolarHBondContact CB-O 3.44Å; G429-Y511 PolarHBondContact N-O 3.18Å; G429-Y511 PolarHBondContact O-N 3.23Å; L431-Y511 HydrophobicContact CB-CD2 3.94Å; L431-Y511 HydrophobicContact CB-CE2 4.15Å; L431-Y511 HydrophobicContact CD1-CD2 3.46Å; L431-Y511 VanDerWaalsContact CD1-CD2 3.46Å; L431-Y511 HydrophobicContact CD1-CE2 4.08Å; L431-Y511 HydrophobicContact CD1-CG 4.01Å; L431-Y511 HydrophobicContact CG-CD2 3.7Å; L431-Y511 HydrophobicContact CG-CE2 4.37Å; S433-Y511 VanDerWaalsContact O-CE2 3.25Å; S433-Y511 WeakPolarHBondContact O-CE2 3.09Å; S433-Y511 PolarHBondContact O-OH 2.95Å; L434-Y511 VanDerWaalsContact C-OH 3.25Å; P435-Y511 WeakPolarHBondContact CD-OH 3.36Å; P435-Y511 VanDerWaalsContact N-OH 3.12Å; V440-Y511 HydrophobicContact CG2-CE1 4.09Å; V440-Y511 HydrophobicContact CG2-CE2 4.07Å; M508-Y511 HydrophobicContact CE-CD1 3.67Å; M508-Y511 HydrophobicContact CE-CE1 3.66Å; M508-Y511 HydrophobicContact CG-CE1 4.05Å; M508-Y511 PolarHBondContact O-OH 2.95Å; M508-Y511 HydrophobicContact SD-CE1 3.95Å; I509-Y511 VanDerWaalsContact C-CE2 3.48Å; I509-Y511 WeakPolarHBondContact O-CD2 3.22Å; I509-Y511 WeakPolarHBondContact O-CE2 3.49Å; Y511-L513 HydrophobicContact CG-CD1 4.38Å
512	V	98.2	Very high	95.9	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.1	158.9	179.9	0	0	0	0	107.4	L195 C197 I426 C428 A489 L553 V555	L195-V512 HydrophobicContact CD2-CG1 4.07Å; L195-V512 HydrophobicContact CD2-CG2 4.03Å; C197-V512 HydrophobicContact CB-CG2 3.81Å; I426-V512 HydrophobicContact CG2-CG1 4.07Å; C428-V512 HydrophobicContact CB-CB 4.37Å; C428-V512 HydrophobicContact CB-CG1 4.48Å; C428-V512 HydrophobicContact CB-CG2 3.97Å; A489-V512 HydrophobicContact CB-CB 4.1Å; A489-V512 HydrophobicContact CB-CG1 4.33Å; A489-V512 WeakPolarHBondContact CB-O 3.17Å; A489-V512 PolarHBondContact N-O 2.93Å; V512-L553 HydrophobicContact CG2-CB 4.26Å; V512-L553 HydrophobicContact CG2-CD2 4.13Å; V512-V555 HydrophobicContact CG1-CG2 3.92Å
513	L	98.3	Very high	95.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.3	176.1	-63.9	107.1	0	0	0	110	I426 L427 L431 L443 T444 F486 N487 R488 Y511	I426-L513 CarbonylContact C-O 3.38Å; I426-L513 VanDerWaalsContact CA-O 3.27Å; I426-L513 WeakPolarHBondContact CA-O 3.27Å; I426-L513 WeakPolarHBondContact CG2-O 3.4Å; L427-L513 HydrophobicContact CD2-CD1 3.96Å; L427-L513 PolarHBondContact N-O 2.84Å; L427-L513 WeakPolarHBondContact O-CA 3.17Å; L427-L513 WeakPolarHBondContact O-CB 3.38Å; L427-L513 PolarHBondContact O-N 3.36Å; L431-L513 HydrophobicContact CD1-CD1 4.4Å; L443-L513 HydrophobicContact CB-CD2 4.06Å; L443-L513 HydrophobicContact CD1-CD1 4.3Å; T444-L513 HydrophobicContact CG2-CD2 4.11Å; F486-L513 HydrophobicContact CB-CB 4.07Å; F486-L513 HydrophobicContact CB-CD2 3.86Å; F486-L513 HydrophobicContact CD1-CB 4.03Å; F486-L513 HydrophobicContact CG-CB 4.07Å; F486-L513 HydrophobicContact CG-CD2 4.39Å; N487-L513 VanDerWaalsContact O-CA 3.3Å; N487-L513 WeakPolarHBondContact O-CA 3.26Å; R488-L513 HydrophobicContact CG-CD2 4.18Å; Y511-L513 HydrophobicContact CG-CD1 4.38Å
514	Y	98.1	Very high	96.2	Very high	15 Å²	15	32 Å²	32	6%	0.059	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.4	178.8	59.2	-96.6	0	0	0	111.4	V425 F486 N487 A489 R516 F519 L521 L557	V425-Y514 CarbonylContact O-C 3.55Å; V425-Y514 WeakPolarHBondContact O-CA 3.32Å; F486-Y514 CarbonylContact C-O 3.48Å; F486-Y514 WeakPolarHBondContact CA-O 3.49Å; N487-Y514 HydrophobicContact CB-CD2 4.44Å; N487-Y514 HydrophobicContact CB-CE2 3.87Å; N487-Y514 PolarHBondContact N-O 2.89Å; N487-Y514 PolarHBondContact O-N 2.79Å; A489-Y514 HydrophobicContact CB-CD1 4.36Å; A489-Y514 HydrophobicContact CB-CE1 4.01Å; Y514-R516 PolarHBondContact O-N 3.45Å; Y514-R516 VanDerWaalsContact O-N 3.14Å; Y514-F519 HydrophobicContact CD2-CB 3.63Å; Y514-F519 HydrophobicContact CE2-CB 4.33Å; Y514-F519 HydrophobicContact CG-CB 4.1Å; Y514-L521 HydrophobicContact CE1-CB 4.32Å; Y514-L557 HydrophobicContact CD1-CD1 4.46Å; Y514-L557 HydrophobicContact CD1-CD2 3.64Å; Y514-L557 HydrophobicContact CE1-CD2 3.86Å; Y514-L557 HydrophobicContact CG-CD2 4.07Å
515	T	97.4	Very high	96.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	111.1	177.1	49.8	0	0	0	0	110.7	V425 F484 T485 F486 Q517 H518 F519	V425-T515 HydrophobicContact CB-CG2 3.92Å; V425-T515 PolarHBondContact N-OG1 3.39Å; V425-T515 VanDerWaalsContact N-OG1 3.13Å; V425-T515 PolarHBondContact O-N 3.39Å; V425-T515 PolarHBondContact O-OG1 2.88Å; F484-T515 HydrophobicContact CD1-CG2 4.37Å; T485-T515 WeakPolarHBondContact O-CA 3.25Å; F486-T515 HydrophobicContact CD1-CG2 4.21Å; F486-T515 HydrophobicContact CE1-CG2 4Å; T515-Q517 VanDerWaalsContact C-N 3.26Å; T515-Q517 PolarHBondContact O-N 3.25Å; T515-Q517 VanDerWaalsContact O-N 3.14Å; T515-H518 WeakPolarHBondContact CB-ND1 3.05Å; T515-H518 PolarHBondContact O-N 3.38Å; T515-H518 PolarHBondContact OG1-ND1 3.08Å; T515-F519 PolarHBondContact O-N 3.22Å; T515-F519 VanDerWaalsContact O-N 3.13Å
516	R	94.7	Very high	96.4	Very high	134 Å²	134	25 Å²	25	51%	0.506	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.9	-166.1	71.7	-171.6	176.2	-144.4	0	116	T485 N487 Y514	T485-R516 WeakPolarHBondContact O-CG 3.47Å; T485-R516 PolarHBondContact O-N 3.32Å; N487-R516 HydrophobicContact CB-CB 4.07Å; N487-R516 WeakPolarHBondContact OD1-CD 3.5Å; Y514-R516 PolarHBondContact O-N 3.45Å; Y514-R516 VanDerWaalsContact O-N 3.14Å
517	Q	92.8	Very high	96.3	Very high	53 Å²	53	20.3 Å²	20.3	25%	0.248	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.9	176.7	69.5	-82.3	27.8	0	0	111.8	T485 T515 L565	T485-Q517 PolarHBondContact OG1-NE2 2.89Å; T485-Q517 PolarHBondContact OG1-OE1 3.38Å; T515-Q517 VanDerWaalsContact C-N 3.26Å; T515-Q517 PolarHBondContact O-N 3.25Å; T515-Q517 VanDerWaalsContact O-N 3.14Å; Q517-L565 HydrophobicContact CB-CD2 4.36Å; Q517-L565 HydrophobicContact CG-CD2 4.42Å; Q517-L565 WeakPolarHBondContact O-CD2 3.13Å
518	H	95.2	Very high	96.2	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.028	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-25.8	-174.3	-52.3	118	0	0	0	113.3	P424 T515 M560	P424-H518 HydrophobicContact CB-CB 3.58Å; P424-H518 HydrophobicContact CG-CB 3.85Å; T515-H518 WeakPolarHBondContact CB-ND1 3.05Å; T515-H518 PolarHBondContact O-N 3.38Å; T515-H518 PolarHBondContact OG1-ND1 3.08Å; H518-M560 WeakPolarHBondContact O-CB 3.16Å; H518-M560 WeakPolarHBondContact O-CG 3.21Å; H518-M560 PolarHBondContact O-N 3.12Å
519	F	96.5	Very high	96	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.022	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145	-177.6	-63.2	-82.1	0	0	0	112.6	F193 F351 P424 I426 Y514 T515 L557 E558 L559	F193-F519 HydrophobicContact CE1-CD1 4.45Å; F193-F519 AromaticContact CE1-CE1 3.89Å; F193-F519 HydrophobicContact CE1-CE1 3.89Å; F193-F519 AromaticContact CZ-CE1 3.85Å; F193-F519 HydrophobicContact CZ-CE1 3.85Å; F351-F519 HydrophobicContact CB-CZ 4.09Å; F351-F519 HydrophobicContact CD2-CZ 4.15Å; F351-F519 HydrophobicContact CG-CZ 4.39Å; P424-F519 HydrophobicContact CB-CD2 4.4Å; P424-F519 HydrophobicContact CB-CE2 3.5Å; P424-F519 HydrophobicContact CB-CZ 3.67Å; I426-F519 HydrophobicContact CD1-CE1 3.98Å; I426-F519 HydrophobicContact CD1-CE2 4.29Å; I426-F519 HydrophobicContact CD1-CZ 3.82Å; I426-F519 HydrophobicContact CG1-CD2 4.33Å; I426-F519 HydrophobicContact CG1-CE1 4.37Å; I426-F519 HydrophobicContact CG1-CE2 3.78Å; I426-F519 HydrophobicContact CG1-CZ 3.81Å; Y514-F519 HydrophobicContact CD2-CB 3.63Å; Y514-F519 HydrophobicContact CE2-CB 4.33Å; Y514-F519 HydrophobicContact CG-CB 4.1Å; T515-F519 PolarHBondContact O-N 3.22Å; T515-F519 VanDerWaalsContact O-N 3.13Å; F519-L557 HydrophobicContact CD1-CB 4.2Å; F519-E558 CarbonylContact C-O 3.55Å; F519-E558 WeakPolarHBondContact CA-O 3.39Å; F519-L559 HydrophobicContact CD1-CB 4.17Å; F519-L559 HydrophobicContact CD1-CD1 4.24Å; F519-L559 HydrophobicContact CE1-CB 3.88Å; F519-L559 HydrophobicContact CE1-CD1 3.76Å; F519-L559 HydrophobicContact CE1-CG 4.33Å; F519-L559 HydrophobicContact CZ-CD1 3.99Å
520	R	95.6	Very high	95.6	Very high	78 Å²	78	29.9 Å²	29.9	29%	0.294	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.7	165.2	-176	168.8	61.3	127	1.2	109.6	E185 L522 L557 E558 M560	E185-R520 PolarHBondContact O-NH1 3.07Å; E185-R520 PolarHBondContact O-NH2 3.19Å; R520-L522 HydrophobicContact CG-CD2 4.49Å; R520-L557 WeakPolarHBondContact O-CA 3.45Å; R520-E558 HydrophobicContact CB-CB 4.38Å; R520-E558 IonicContact CZ-OE2 3.51Å; R520-E558 PolarHBondContact N-O 3.21Å; R520-E558 IonicContact NE-OE2 2.69Å; R520-E558 PolarHBondContact NE-OE2 3.32Å; R520-E558 IonicContact NH2-OE1 3.91Å; R520-E558 PolarHBondContact NH2-OE1 3.12Å; R520-E558 IonicContact NH2-OE2 2.84Å; R520-E558 PolarHBondContact NH2-OE2 3.05Å; R520-E558 PolarHBondContact O-N 3.37Å; R520-M560 HydrophobicContact CB-SD 4.21Å
521	L	96.7	Very high	95.3	Very high	24 Å²	24	32.2 Å²	32.2	13%	0.126	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.8	173.4	-176.1	69.3	0	0	0	109.4	L183 A489 Y514 G523 V555 L557	L183-L521 HydrophobicContact CD1-CD2 3.42Å; L183-L521 VanDerWaalsContact CD1-CD2 3.42Å; L183-L521 HydrophobicContact CD1-CG 3.8Å; A489-L521 HydrophobicContact CB-CD1 4.18Å; A489-L521 HydrophobicContact CB-CD2 4.45Å; A489-L521 VanDerWaalsContact O-CD2 3.25Å; A489-L521 WeakPolarHBondContact O-CD2 3.33Å; Y514-L521 HydrophobicContact CE1-CB 4.32Å; L521-G523 WeakPolarHBondContact CD1-O 3.46Å; L521-V555 HydrophobicContact CD1-CB 3.98Å; L521-V555 HydrophobicContact CD1-CG1 4.32Å; L521-L557 HydrophobicContact CB-CD2 4.35Å; L521-L557 HydrophobicContact CD1-CD2 3.75Å
522	L	97.2	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-33.3	179.9	-61	-176.9	0	0	0	112.2	L183 A184 P186 A192 R520 E556 E558	L183-L522 PolarHBondContact N-O 3.24Å; A184-L522 HydrophobicContact CB-CD2 4.08Å; A184-L522 PolarHBondContact N-O 3.44Å; P186-L522 HydrophobicContact CB-CD1 4.07Å; P186-L522 HydrophobicContact CG-CD1 3.9Å; A192-L522 HydrophobicContact CB-CD1 3.68Å; R520-L522 HydrophobicContact CG-CD2 4.49Å; L522-E556 HydrophobicContact CB-CB 4.23Å; L522-E556 HydrophobicContact CB-CG 3.96Å; L522-E556 HydrophobicContact CD1-CG 4.03Å; L522-E556 HydrophobicContact CG-CG 4.49Å; L522-E556 PolarHBondContact N-O 2.6Å; L522-E558 HydrophobicContact CD1-CB 3.81Å; L522-E558 HydrophobicContact CD2-CB 4.04Å; L522-E558 HydrophobicContact CG-CB 3.86Å
523	G	96.9	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	170	179	0	0	0	0	0	113	R181 L521 E556	R181-G523 CarbonylContact O-C 3.49Å; R181-G523 WeakPolarHBondContact O-CA 3.48Å; L521-G523 WeakPolarHBondContact CD1-O 3.46Å; G523-E556 PolarHBondContact N-O 2.86Å; G523-E556 PolarHBondContact O-N 3.25Å
524	S	97.1	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.9	178	60	0	0	0	0	111.2	R181 L554	R181-S524 WeakPolarHBondContact CA-O 3.5Å; R181-S524 WeakPolarHBondContact CB-O 3.29Å; R181-S524 PolarHBondContact N-O 3.31Å; R181-S524 PolarHBondContact O-N 2.94Å; S524-L554 CarbonylContact C-O 3.58Å; S524-L554 WeakPolarHBondContact CA-O 3.18Å
525	L	96	Very high	94.2	Very high	3 Å²	3	45 Å²	45	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.6	172.6	-171.6	67.9	0	0	0	109.9	R178 W180 Y235 Y490 L554	R178-L525 HydrophobicContact CB-CD1 3.74Å; R178-L525 HydrophobicContact CB-CD2 4.5Å; R178-L525 HydrophobicContact CB-CG 4.04Å; R178-L525 VanDerWaalsContact NH1-CD2 3.31Å; W180-L525 HydrophobicContact CE3-CB 4.33Å; W180-L525 HydrophobicContact CE3-CD1 4.49Å; W180-L525 HydrophobicContact CZ3-CB 4.38Å; Y235-L525 HydrophobicContact CD1-CD2 4.35Å; Y235-L525 HydrophobicContact CD2-CD2 4.47Å; Y235-L525 HydrophobicContact CE1-CD1 3.75Å; Y235-L525 HydrophobicContact CE1-CD2 3.66Å; Y235-L525 HydrophobicContact CE1-CG 4.38Å; Y235-L525 HydrophobicContact CE2-CD2 3.77Å; Y235-L525 WeakPolarHBondContact OH-CD2 3.27Å; Y490-L525 WeakPolarHBondContact CE1-O 3.28Å; Y490-L525 PolarHBondContact OH-N 3.2Å; Y490-L525 PolarHBondContact OH-O 3.2Å; L525-L554 HydrophobicContact CB-CB 3.81Å; L525-L554 HydrophobicContact CB-CD2 4.4Å; L525-L554 HydrophobicContact CD2-CB 4.02Å; L525-L554 HydrophobicContact CD2-CD2 4.24Å; L525-L554 PolarHBondContact N-O 3.49Å
526	D	93.3	Very high	93.9	Very high	48 Å²	48	48.9 Å²	48.9	26%	0.257	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-76.8	172.9	-174.3	-150.8	-0.5	0	0	0	113.6	R178 Q179 R181 G495	R178-D526 VanDerWaalsContact CZ-O 3.27Å; R178-D526 PolarHBondContact NE-O 2.89Å; R178-D526 PolarHBondContact NH2-O 3.27Å; Q179-D526 VanDerWaalsContact O-CB 3.31Å; Q179-D526 WeakPolarHBondContact O-CB 3.19Å; Q179-D526 PolarHBondContact O-N 2.99Å; R181-D526 VanDerWaalsContact CD-CG 3.48Å; R181-D526 WeakPolarHBondContact CD-OD1 3.42Å; R181-D526 HydrophobicContact CG-CB 3.99Å; G495-D526 WeakPolarHBondContact CA-OD1 3.06Å
527	Q	92.9	Very high	93.6	Very high	21 Å²	21	47.1 Å²	47.1	10%	0.098	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-57.9	150.6	171.6	-167.4	60.3	50.6	0	0	111.4	G495 M496 C497 L498 Y529 E530	G495-Q527 WeakPolarHBondContact O-CB 3.19Å; M496-Q527 HydrophobicContact SD-CB 4.44Å; C497-Q527 PolarHBondContact SG-OE1 2.91Å; L498-Q527 PolarHBondContact O-NE2 2.97Å; L498-Q527 PolarHBondContact O-OE1 3.39Å; L498-Q527 VanDerWaalsContact O-OE1 3.05Å; Q527-Y529 PolarHBondContact O-N 3.09Å; Q527-E530 HydrophobicContact CG-CG 4.1Å
528	I	92.7	Very high	93.6	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.077	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-63.1	137.3	165.7	-60.2	-166.1	0	0	0	108.6	P175 R178 E530 F533 I546 F551	P175-I528 HydrophobicContact CB-CG2 3.94Å; P175-I528 HydrophobicContact CG-CG2 4.44Å; R178-I528 HydrophobicContact CG-CG1 3.94Å; I528-E530 PolarHBondContact O-N 3.36Å; I528-F533 HydrophobicContact CB-CE2 3.92Å; I528-F533 HydrophobicContact CB-CZ 4.21Å; I528-F533 HydrophobicContact CG2-CE2 3.52Å; I528-F533 HydrophobicContact CG2-CZ 3.74Å; I528-I546 HydrophobicContact CD1-CD1 4.33Å; I528-F551 HydrophobicContact CD1-CD1 3.27Å; I528-F551 HydrophobicContact CD1-CE1 3.28Å; I528-F551 HydrophobicContact CD1-CG 4.1Å; I528-F551 HydrophobicContact CD1-CZ 4.1Å; I528-F551 HydrophobicContact CG1-CD1 4.02Å; I528-F551 HydrophobicContact CG1-CE1 4.16Å; I528-F551 HydrophobicContact CG1-CG 4.39Å
529	Y	92.4	Very high	93.4	Very high	130 Å²	130	46.7 Å²	46.7	51%	0.51	22%	0.215	S	C	.	.			trans	-53.7	98.4	-177	-175.7	-113.9	0	0	0	112.2	P176 Q527 P531 W532	P176-Y529 HydrophobicContact CG-CD1 3.84Å; P176-Y529 HydrophobicContact CG-CG 4.18Å; Q527-Y529 PolarHBondContact O-N 3.09Å; Y529-P531 VanDerWaalsContact C-CD 3.44Å; Y529-P531 HydrophobicContact CD1-CB 4.33Å; Y529-P531 HydrophobicContact CD2-CG 4.38Å; Y529-P531 HydrophobicContact CE1-CB 3.67Å; Y529-P531 HydrophobicContact CE1-CG 3.98Å; Y529-P531 HydrophobicContact CE2-CB 4.42Å; Y529-P531 HydrophobicContact CE2-CG 3.82Å; Y529-W532 HydrophobicContact CD1-CB 3.88Å; Y529-W532 WeakPolarHBondContact O-CB 3.38Å; Y529-W532 PolarHBondContact O-N 2.88Å; Y529-W532 VanDerWaalsContact O-N 3.09Å
530	E	89.7	Confident	93.3	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-56.9	-39.9	-171.7	-68.1	-175.6	-173.4	0	0	114.7	C497 Q527 I528 W532 F533	C497-E530 PolarHBondContact SG-OE1 2.98Å; Q527-E530 HydrophobicContact CG-CG 4.1Å; I528-E530 PolarHBondContact O-N 3.36Å; E530-W532 PolarHBondContact O-N 2.99Å; E530-W532 VanDerWaalsContact O-N 3.09Å; E530-F533 PolarHBondContact O-N 2.99Å
531	P	92.5	Very high	93.4	Very high	52 Å²	52	42.8 Å²	42.8	34%	0.338	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-24.9	178.9	-25.9	35.8	0	0	0	113.5	Y529 F533 Q534 E535	Y529-P531 VanDerWaalsContact C-CD 3.44Å; Y529-P531 HydrophobicContact CD1-CB 4.33Å; Y529-P531 HydrophobicContact CD2-CG 4.38Å; Y529-P531 HydrophobicContact CE1-CB 3.67Å; Y529-P531 HydrophobicContact CE1-CG 3.98Å; Y529-P531 HydrophobicContact CE2-CB 4.42Å; Y529-P531 HydrophobicContact CE2-CG 3.82Å; P531-F533 PolarHBondContact O-N 2.66Å; P531-Q534 PolarHBondContact O-N 3.4Å; P531-E535 WeakPolarHBondContact O-CB 3.38Å; P531-E535 PolarHBondContact O-N 3.02Å
532	W	93.8	Very high	93.5	Very high	9 Å²	9	41.8 Å²	41.8	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-38.9	175.2	175.8	85.4	0	0	0	112.4	S173 S174 P175 Y529 E530 Q534 K536 I538 H543 I546	S173-W532 VanDerWaalsContact O-CZ2 3.29Å; S173-W532 WeakPolarHBondContact O-CZ2 3.38Å; S174-W532 PolarHBondContact O-NE1 2.93Å; P175-W532 HydrophobicContact CB-CD2 3.71Å; P175-W532 HydrophobicContact CB-CE3 3.71Å; P175-W532 HydrophobicContact CB-CG 4.19Å; P175-W532 HydrophobicContact CB-CH2 4.32Å; P175-W532 HydrophobicContact CB-CZ2 4.35Å; P175-W532 HydrophobicContact CB-CZ3 4.01Å; P175-W532 HydrophobicContact CG-CE3 4.38Å; P175-W532 HydrophobicContact CG-CH2 4.2Å; P175-W532 HydrophobicContact CG-CZ2 4.43Å; P175-W532 HydrophobicContact CG-CZ3 4.16Å; Y529-W532 HydrophobicContact CD1-CB 3.88Å; Y529-W532 WeakPolarHBondContact O-CB 3.38Å; Y529-W532 PolarHBondContact O-N 2.88Å; Y529-W532 VanDerWaalsContact O-N 3.09Å; E530-W532 PolarHBondContact O-N 2.99Å; E530-W532 VanDerWaalsContact O-N 3.09Å; W532-Q534 VanDerWaalsContact C-N 3.29Å; W532-Q534 PolarHBondContact O-N 3.02Å; W532-K536 HydrophobicContact CD2-CG 4.41Å; W532-K536 HydrophobicContact CG-CG 4.37Å; W532-K536 WeakPolarHBondContact O-CB 3.31Å; W532-K536 WeakPolarHBondContact O-CG 3.48Å; W532-K536 PolarHBondContact O-N 3.23Å; W532-I538 HydrophobicContact CD2-CD1 4.29Å; W532-I538 HydrophobicContact CE3-CD1 3.77Å; W532-I538 HydrophobicContact CH2-CD1 3.12Å; W532-I538 HydrophobicContact CZ2-CD1 3.69Å; W532-I538 HydrophobicContact CZ3-CD1 3.17Å; W532-H543 AromaticContact CH2-CE1 3.95Å; W532-H543 AromaticContact CH2-ND1 3.89Å; W532-I546 HydrophobicContact CZ3-CD1 3.99Å
533	F	92.7	Very high	93.4	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.066	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-38.5	175.7	-64.9	-82.1	0	0	0	111.4	F501 I528 E530 P531 K537 I538 I546 F551	F501-F533 HydrophobicContact CD1-CD1 4.22Å; F501-F533 AromaticContact CD1-CE1 3.96Å; F501-F533 HydrophobicContact CD1-CE1 3.96Å; F501-F533 AromaticContact CE1-CD1 3.51Å; F501-F533 HydrophobicContact CE1-CD1 3.51Å; F501-F533 AromaticContact CE1-CE1 3.72Å; F501-F533 HydrophobicContact CE1-CE1 3.72Å; F501-F533 HydrophobicContact CE1-CG 4.19Å; F501-F533 HydrophobicContact CZ-CD1 4.19Å; F501-F533 HydrophobicContact CZ-CG 4.49Å; I528-F533 HydrophobicContact CB-CE2 3.92Å; I528-F533 HydrophobicContact CB-CZ 4.21Å; I528-F533 HydrophobicContact CG2-CE2 3.52Å; I528-F533 HydrophobicContact CG2-CZ 3.74Å; E530-F533 PolarHBondContact O-N 2.99Å; P531-F533 PolarHBondContact O-N 2.66Å; F533-K537 WeakPolarHBondContact O-CA 3.38Å; F533-K537 PolarHBondContact O-N 3.11Å; F533-I538 HydrophobicContact CB-CB 4.45Å; F533-I538 HydrophobicContact CD1-CB 3.95Å; F533-I538 HydrophobicContact CD1-CD1 4.16Å; F533-I538 HydrophobicContact CD1-CG2 3.85Å; F533-I538 HydrophobicContact CE1-CG2 4.42Å; F533-I538 PolarHBondContact O-N 3.11Å; F533-I546 HydrophobicContact CE1-CD1 3.46Å; F533-I546 VanDerWaalsContact CE1-CD1 3.46Å; F533-I546 HydrophobicContact CZ-CD1 3.61Å; F533-F551 HydrophobicContact CE1-CZ 4.39Å; F533-F551 HydrophobicContact CE2-CZ 4.4Å; F533-F551 HydrophobicContact CZ-CE1 4.15Å; F533-F551 AromaticContact CZ-CZ 3.68Å; F533-F551 HydrophobicContact CZ-CZ 3.68Å
534	Q	90.4	Very high	93.3	Very high	138 Å²	138	42.7 Å²	42.7	65%	0.645	20%	0.2	S	C	*	.	H	α-helix	trans	-69.3	-49.6	178.5	-63.1	176.8	-4.9	0	0	111.4	P531 W532 K536 K537	P531-Q534 PolarHBondContact O-N 3.4Å; W532-Q534 VanDerWaalsContact C-N 3.29Å; W532-Q534 PolarHBondContact O-N 3.02Å; Q534-K536 VanDerWaalsContact C-N 3.32Å; Q534-K536 PolarHBondContact O-N 3.2Å; Q534-K537 PolarHBondContact O-N 2.89Å; Q534-K537 VanDerWaalsContact O-N 3.08Å
535	E	91.4	Very high	93.2	Very high	129 Å²	129	45.6 Å²	45.6	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-58.9	-43.7	179.1	-170.8	-157.9	139.5	0	0	111.5	P531 K537	P531-E535 WeakPolarHBondContact O-CB 3.38Å; P531-E535 PolarHBondContact O-N 3.02Å; E535-K537 VanDerWaalsContact C-N 3.29Å
536	K	90.7	Very high	93.2	Very high	83 Å²	83	45.8 Å²	45.8	36%	0.361	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.8	179.5	-55.7	-50.6	177.3	-169.2	0	113.5	S173 W532 Q534 I538	S173-K536 WeakPolarHBondContact OG-CE 3.4Å; W532-K536 HydrophobicContact CD2-CG 4.41Å; W532-K536 HydrophobicContact CG-CG 4.37Å; W532-K536 WeakPolarHBondContact O-CB 3.31Å; W532-K536 WeakPolarHBondContact O-CG 3.48Å; W532-K536 PolarHBondContact O-N 3.23Å; Q534-K536 VanDerWaalsContact C-N 3.32Å; Q534-K536 PolarHBondContact O-N 3.2Å; K536-I538 HydrophobicContact CB-CD1 3.91Å; K536-I538 HydrophobicContact CB-CG1 3.91Å; K536-I538 PolarHBondContact O-N 3.05Å
537	K	89.7	Confident	93.4	Very high	96 Å²	96	43.9 Å²	43.9	42%	0.417	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.6	178.8	-56.1	-179.3	-173.8	-173.3	0	112.4	D102 R125 F533 Q534 E535	D102-K537 WeakPolarHBondContact OD1-CD 3.26Å; D102-K537 IonicContact OD1-NZ 2.66Å; D102-K537 PolarHBondContact OD1-NZ 3.44Å; D102-K537 IonicContact OD2-NZ 2.8Å; D102-K537 PolarHBondContact OD2-NZ 3.21Å; R125-K537 PolarHBondContact NH2-O 3.45Å; F533-K537 WeakPolarHBondContact O-CA 3.38Å; F533-K537 PolarHBondContact O-N 3.11Å; Q534-K537 PolarHBondContact O-N 2.89Å; Q534-K537 VanDerWaalsContact O-N 3.08Å; E535-K537 VanDerWaalsContact C-N 3.29Å
538	I	91.7	Very high	93.7	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.072	20%	0.201	C	C	.	.			trans	-80.8	121.8	179.5	-64.3	170	0	0	0	108.6	F501 W532 F533 K536	F501-I538 HydrophobicContact CE1-CG2 4.27Å; W532-I538 HydrophobicContact CD2-CD1 4.29Å; W532-I538 HydrophobicContact CE3-CD1 3.77Å; W532-I538 HydrophobicContact CH2-CD1 3.12Å; W532-I538 HydrophobicContact CZ2-CD1 3.69Å; W532-I538 HydrophobicContact CZ3-CD1 3.17Å; F533-I538 HydrophobicContact CB-CB 4.45Å; F533-I538 HydrophobicContact CD1-CB 3.95Å; F533-I538 HydrophobicContact CD1-CD1 4.16Å; F533-I538 HydrophobicContact CD1-CG2 3.85Å; F533-I538 HydrophobicContact CE1-CG2 4.42Å; F533-I538 PolarHBondContact O-N 3.11Å; K536-I538 HydrophobicContact CB-CD1 3.91Å; K536-I538 HydrophobicContact CB-CG1 3.91Å; K536-I538 PolarHBondContact O-N 3.05Å
539	L	91.5	Very high	94	Very high	36 Å²	36	42.7 Å²	42.7	19%	0.188	20%	0.2	C	C	.	.			trans	-79.8	-30.7	-172.5	-67.3	-179.7	0	0	0	113.7	T104 L127 Y503	T104-L539 HydrophobicContact CG2-CD1 3.97Å; T104-L539 HydrophobicContact CG2-CD2 4.19Å; L127-L539 HydrophobicContact CD1-CD1 3.74Å; Y503-L539 HydrophobicContact CD2-CB 4Å; Y503-L539 HydrophobicContact CD2-CD1 4.4Å; Y503-L539 HydrophobicContact CD2-CD2 4.43Å; Y503-L539 HydrophobicContact CE2-CD1 4.42Å; Y503-L539 HydrophobicContact CE2-CD2 4.37Å
540	G	94.9	Very high	94.2	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	-179.1	175.7	-176.9	0	0	0	0	0	111.3
541	C	97.4	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-112.8	157.7	172.4	-71.5	0	0	0	0	110.7	Y213 F501 I546 S548 D549	Y213-C541 WeakPolarHBondContact CE2-O 3.34Å; Y213-C541 PolarHBondContact OH-O 3.14Å; F501-C541 HydrophobicContact CD1-CB 4.21Å; F501-C541 WeakPolarHBondContact O-CA 3.28Å; F501-C541 WeakPolarHBondContact O-CB 3.35Å; F501-C541 PolarHBondContact O-N 3.28Å; C541-I546 HydrophobicContact CB-CG2 4.11Å; C541-I546 WeakPolarHBondContact SG-CD1 3.04Å; C541-S548 WeakPolarHBondContact CB-O 3.42Å; C541-D549 WeakPolarHBondContact O-CB 3.28Å
542	P	97.7	Very high	94.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	14%	0.143	C	C	.	.	S	Bend	cis	-66.5	155.8	3.1	32	-35.9	0	0	0	112.4	L201 Y211 C214 L219 I546	L201-P542 HydrophobicContact CD2-CB 4.32Å; L201-P542 HydrophobicContact CD2-CG 3.74Å; Y211-P542 HydrophobicContact CD1-CG 4.36Å; Y211-P542 HydrophobicContact CG-CG 4.28Å; C214-P542 HydrophobicContact CB-CG 4.41Å; C214-P542 WeakPolarHBondContact CB-O 3.41Å; C214-P542 PolarHBondContact SG-O 3.28Å; L219-P542 HydrophobicContact CD2-CG 3.54Å; P542-I546 CarbonylContact C-O 3.58Å; P542-I546 VanDerWaalsContact CA-O 3.31Å; P542-I546 WeakPolarHBondContact CA-O 3.34Å; P542-I546 WeakPolarHBondContact CB-O 3.29Å
543	H	95.8	Very high	95	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-137.1	166.1	-177.5	179.2	-99.1	0	0	0	109	Y167 W532 H545 I546	Y167-H543 AromaticContact CE1-CD2 3.82Å; Y167-H543 AromaticContact CE1-NE2 3.39Å; Y167-H543 WeakPolarHBondContact CE1-NE2 3.26Å; W532-H543 AromaticContact CH2-CE1 3.95Å; W532-H543 AromaticContact CH2-ND1 3.89Å; H543-H545 AromaticContact CE1-CD2 3.84Å; H543-H545 PolarHBondContact ND1-N 2.77Å; H543-H545 PolarHBondContact O-N 3.34Å; H543-I546 HydrophobicContact CB-CB 4.25Å; H543-I546 PolarHBondContact N-O 3.32Å; H543-I546 CarbonylContact O-C 3.59Å; H543-I546 PolarHBondContact O-N 3.09Å
544	V	95.3	Very high	95.3	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.4	179.3	174.5	0	0	0	0	113.2	Y167 P215 W217 A218 Y223	Y167-V544 HydrophobicContact CD1-CG2 3.54Å; Y167-V544 HydrophobicContact CE1-CG2 4.35Å; Y167-V544 HydrophobicContact CG-CG2 4.07Å; P215-V544 HydrophobicContact CG-CG2 3.93Å; W217-V544 HydrophobicContact CH2-CB 4.07Å; W217-V544 HydrophobicContact CH2-CG1 3.51Å; W217-V544 HydrophobicContact CH2-CG2 3.44Å; W217-V544 VanDerWaalsContact CH2-CG2 3.44Å; W217-V544 HydrophobicContact CZ2-CG2 3.91Å; W217-V544 HydrophobicContact CZ3-CG1 3.94Å; W217-V544 HydrophobicContact CZ3-CG2 4.14Å; A218-V544 HydrophobicContact CB-CG2 4.31Å; Y223-V544 WeakPolarHBondContact CE1-O 3.46Å; Y223-V544 WeakPolarHBondContact OH-CG1 3.22Å; Y223-V544 PolarHBondContact OH-O 3.13Å
545	H	94.9	Very high	95.7	Very high	62 Å²	62	23.1 Å²	23.1	29%	0.287	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-2.2	-180	-58.7	-58.4	0	0	0	114.6	S173 H543	S173-H545 PolarHBondContact O-CD2 2.83Å; S173-H545 VanDerWaalsContact O-CD2 3.27Å; S173-H545 PolarHBondContact O-NE2 2.81Å; H543-H545 AromaticContact CE1-CD2 3.84Å; H543-H545 PolarHBondContact ND1-N 2.77Å; H543-H545 PolarHBondContact O-N 3.34Å
546	I	96.5	Very high	96	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.036	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-134.9	104.5	-174.2	-58.8	164.5	0	0	0	108	I528 W532 F533 C541 P542 H543 S548 F551	I528-I546 HydrophobicContact CD1-CD1 4.33Å; W532-I546 HydrophobicContact CZ3-CD1 3.99Å; F533-I546 HydrophobicContact CE1-CD1 3.46Å; F533-I546 VanDerWaalsContact CE1-CD1 3.46Å; F533-I546 HydrophobicContact CZ-CD1 3.61Å; C541-I546 HydrophobicContact CB-CG2 4.11Å; C541-I546 WeakPolarHBondContact SG-CD1 3.04Å; P542-I546 CarbonylContact C-O 3.58Å; P542-I546 VanDerWaalsContact CA-O 3.31Å; P542-I546 WeakPolarHBondContact CA-O 3.34Å; P542-I546 WeakPolarHBondContact CB-O 3.29Å; H543-I546 HydrophobicContact CB-CB 4.25Å; H543-I546 PolarHBondContact N-O 3.32Å; H543-I546 CarbonylContact O-C 3.59Å; H543-I546 PolarHBondContact O-N 3.09Å; I546-S548 VanDerWaalsContact C-N 3.32Å; I546-S548 WeakPolarHBondContact CG2-O 3.29Å; I546-S548 PolarHBondContact O-N 3.27Å; I546-F551 HydrophobicContact CD1-CE1 4.06Å; I546-F551 HydrophobicContact CG2-CD1 4.14Å; I546-F551 HydrophobicContact CG2-CE1 3.73Å
547	P	97.4	Very high	96.3	Very high	8 Å²	8	15.2 Å²	15.2	5%	0.052	7%	0.073	C	C	.	.			trans	-84.1	-0.9	-164.7	34.2	-38.2	0	0	0	115.4	R224 A227 I228	R224-P547 HydrophobicContact CB-CB 3.95Å; R224-P547 VanDerWaalsContact CD-O 3.28Å; R224-P547 WeakPolarHBondContact CD-O 3.31Å; R224-P547 HydrophobicContact CG-CB 4.31Å; R224-P547 PolarHBondContact NH1-O 3.49Å; A227-P547 HydrophobicContact CB-CB 3.91Å; A227-P547 HydrophobicContact CB-CG 3.82Å; I228-P547 HydrophobicContact CD1-CB 4.28Å; I228-P547 HydrophobicContact CG1-CB 3.78Å; I228-P547 HydrophobicContact CG1-CG 3.59Å
548	S	98.3	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-132.6	157.3	175.6	-178.4	0	0	0	0	108.7	Y198 N199 C541 I546 H550	Y198-S548 WeakPolarHBondContact OH-CB 3.41Å; N199-S548 PolarHBondContact O-OG 2.82Å; C541-S548 WeakPolarHBondContact CB-O 3.42Å; I546-S548 VanDerWaalsContact C-N 3.32Å; I546-S548 WeakPolarHBondContact CG2-O 3.29Å; I546-S548 PolarHBondContact O-N 3.27Å; S548-H550 WeakPolarHBondContact CB-O 3.29Å; S548-H550 PolarHBondContact OG-N 3.12Å; S548-H550 VanDerWaalsContact OG-N 3.07Å
549	D	98.2	Very high	96.9	Very high	10 Å²	10	10.1 Å²	10.1	5%	0.053	5%	0.051	C	C	.	.	S	Bend	trans	-75.7	-8.8	165.2	58.3	-27.2	0	0	0	112.7	L201 Y211 N500 F501 T502 C541	L201-D549 WeakPolarHBondContact CB-OD1 3.19Å; L201-D549 HydrophobicContact CD2-CB 4.47Å; Y211-D549 HydrophobicContact CE1-CB 3.89Å; Y211-D549 VanDerWaalsContact OH-CG 3.29Å; Y211-D549 PolarHBondContact OH-OD2 2.94Å; N500-D549 CarbonylContact C-O 3.52Å; N500-D549 WeakPolarHBondContact CA-O 3.39Å; N500-D549 PolarHBondContact ND2-OD2 3.29Å; F501-D549 PolarHBondContact N-O 3.2Å; T502-D549 HydrophobicContact CG2-CB 3.85Å; C541-D549 WeakPolarHBondContact O-CB 3.28Å
550	H	98.4	Very high	96.8	Very high	6 Å²	6	10.4 Å²	10.4	3%	0.028	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-101.4	154.5	168.4	-64.7	-115	0	0	0	112.7	Y198 N199 D430 T499 N500 D510 S548	Y198-H550 WeakPolarHBondContact CE2-O 3.34Å; N199-H550 HydrophobicContact CB-CB 4.01Å; N199-H550 PolarHBondContact ND2-NE2 2.82Å; D430-H550 IonicContact OD2-CE1 3.15Å; D430-H550 PolarHBondContact OD2-CE1 3.11Å; D430-H550 VanDerWaalsContact OD2-CE1 3.26Å; D430-H550 IonicContact OD2-NE2 3.93Å; T499-H550 CarbonylContact O-C 3.51Å; T499-H550 WeakPolarHBondContact O-CA 3.16Å; N500-H550 PolarHBondContact ND2-CD2 3.41Å; N500-H550 PolarHBondContact ND2-CE1 2.85Å; N500-H550 PolarHBondContact ND2-NE2 3.04Å; D510-H550 VanDerWaalsContact CG-ND1 3.33Å; D510-H550 IonicContact OD1-CE1 3.79Å; D510-H550 IonicContact OD1-ND1 2.73Å; D510-H550 PolarHBondContact OD1-ND1 2.82Å; D510-H550 IonicContact OD2-CE1 2.79Å; D510-H550 IonicContact OD2-CG 3.7Å; D510-H550 IonicContact OD2-ND1 3.45Å; D510-H550 PolarHBondContact OD2-ND1 3.43Å; S548-H550 WeakPolarHBondContact CB-O 3.29Å; S548-H550 PolarHBondContact OG-N 3.12Å; S548-H550 VanDerWaalsContact OG-N 3.07Å
551	F	97.3	Very high	96.2	Very high	5 Å²	5	11 Å²	11	2%	0.022	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-101.6	138	170.1	-58.3	-53.8	0	0	0	110.5	M496 L498 T499 F501 I528 F533 I546 L553	M496-F551 HydrophobicContact CE-CB 3.7Å; M496-F551 HydrophobicContact CE-CD2 4.35Å; M496-F551 HydrophobicContact CE-CG 4.45Å; L498-F551 HydrophobicContact CD2-CE2 4.07Å; L498-F551 HydrophobicContact CG-CE2 4.14Å; L498-F551 WeakPolarHBondContact O-CD2 3.17Å; T499-F551 PolarHBondContact O-N 2.87Å; F501-F551 HydrophobicContact CB-CE2 3.83Å; F501-F551 HydrophobicContact CB-CZ 3.94Å; F501-F551 HydrophobicContact CD1-CZ 4.27Å; F501-F551 HydrophobicContact CG-CZ 4.45Å; I528-F551 HydrophobicContact CD1-CD1 3.27Å; I528-F551 HydrophobicContact CD1-CE1 3.28Å; I528-F551 HydrophobicContact CD1-CG 4.1Å; I528-F551 HydrophobicContact CD1-CZ 4.1Å; I528-F551 HydrophobicContact CG1-CD1 4.02Å; I528-F551 HydrophobicContact CG1-CE1 4.16Å; I528-F551 HydrophobicContact CG1-CG 4.39Å; F533-F551 HydrophobicContact CE1-CZ 4.39Å; F533-F551 HydrophobicContact CE2-CZ 4.4Å; F533-F551 HydrophobicContact CZ-CE1 4.15Å; F533-F551 AromaticContact CZ-CZ 3.68Å; F533-F551 HydrophobicContact CZ-CZ 3.68Å; I546-F551 HydrophobicContact CD1-CE1 4.06Å; I546-F551 HydrophobicContact CG2-CD1 4.14Å; I546-F551 HydrophobicContact CG2-CE1 3.73Å; F551-L553 WeakPolarHBondContact O-CD1 3.32Å; F551-L553 PolarHBondContact O-N 3.18Å
552	A	97.5	Very high	95	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-63.9	130.8	177	0	0	0	0	0	111.3	R178 M196 Y198	R178-A552 VanDerWaalsContact CZ-O 3.31Å; R178-A552 PolarHBondContact NH1-O 3.28Å; R178-A552 PolarHBondContact NH2-O 3.41Å; M196-A552 HydrophobicContact CE-CB 4.36Å; M196-A552 HydrophobicContact CG-CB 4.47Å; Y198-A552 HydrophobicContact CD1-CB 4.09Å; Y198-A552 HydrophobicContact CD2-CB 3.83Å; Y198-A552 HydrophobicContact CE2-CB 4.27Å; Y198-A552 HydrophobicContact CG-CB 3.75Å
553	L	98.1	Very high	93.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.1	166.5	-78.6	65.9	0	0	0	107.8	M196 C197 Y490 T499 D510 V512 F551	M196-L553 CarbonylContact C-O 3.59Å; M196-L553 WeakPolarHBondContact CA-O 3.4Å; C197-L553 HydrophobicContact CB-CB 4.21Å; C197-L553 PolarHBondContact N-O 2.81Å; C197-L553 PolarHBondContact O-N 2.83Å; Y490-L553 HydrophobicContact CD2-CD2 3.88Å; Y490-L553 HydrophobicContact CD2-CG 4.19Å; Y490-L553 HydrophobicContact CE2-CB 3.94Å; Y490-L553 HydrophobicContact CE2-CD2 3.89Å; Y490-L553 HydrophobicContact CE2-CG 3.76Å; T499-L553 HydrophobicContact CG2-CD1 3.81Å; D510-L553 HydrophobicContact CB-CD1 3.78Å; D510-L553 HydrophobicContact CB-CD2 4.25Å; D510-L553 WeakPolarHBondContact O-CD2 3.28Å; V512-L553 HydrophobicContact CG2-CB 4.26Å; V512-L553 HydrophobicContact CG2-CD2 4.13Å; F551-L553 WeakPolarHBondContact O-CD1 3.32Å; F551-L553 PolarHBondContact O-N 3.18Å
554	L	98.2	Very high	91	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	122.3	176.3	177.9	70.5	0	0	0	109.5	W180 L195 M196 Y235 A237 Y490 S524 L525	W180-L554 HydrophobicContact CH2-CG 4.49Å; W180-L554 HydrophobicContact CZ3-CD2 3.79Å; W180-L554 HydrophobicContact CZ3-CG 3.88Å; L195-L554 WeakPolarHBondContact O-CA 3.44Å; M196-L554 HydrophobicContact CB-CD1 4.04Å; Y235-L554 HydrophobicContact CD1-CD2 3.52Å; Y235-L554 HydrophobicContact CD2-CD2 4.49Å; Y235-L554 HydrophobicContact CE1-CD2 4.26Å; Y235-L554 HydrophobicContact CG-CD2 3.68Å; A237-L554 HydrophobicContact CB-CD1 3.61Å; Y490-L554 PolarHBondContact OH-N 2.91Å; Y490-L554 PolarHBondContact OH-O 3.35Å; Y490-L554 VanDerWaalsContact OH-O 3.06Å; S524-L554 CarbonylContact C-O 3.58Å; S524-L554 WeakPolarHBondContact CA-O 3.18Å; L525-L554 HydrophobicContact CB-CB 3.81Å; L525-L554 HydrophobicContact CB-CD2 4.4Å; L525-L554 HydrophobicContact CD2-CB 4.02Å; L525-L554 HydrophobicContact CD2-CD2 4.24Å; L525-L554 PolarHBondContact N-O 3.49Å
555	V	98.2	Very high	89	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.9	-177.6	-58.4	0	0	0	0	110.4	T194 L195 A489 Y490 V512 L521 L557	T194-V555 CarbonylContact C-O 3.53Å; T194-V555 WeakPolarHBondContact CA-O 3.29Å; L195-V555 HydrophobicContact CB-CG2 4.17Å; L195-V555 PolarHBondContact N-O 2.86Å; L195-V555 PolarHBondContact O-N 2.87Å; A489-V555 HydrophobicContact CB-CG1 3.66Å; Y490-V555 HydrophobicContact CE2-CG1 3.74Å; V512-V555 HydrophobicContact CG1-CG2 3.92Å; L521-V555 HydrophobicContact CD1-CB 3.98Å; L521-V555 HydrophobicContact CD1-CG1 4.32Å; V555-L557 HydrophobicContact CG2-CD1 4.11Å; V555-L557 HydrophobicContact CG2-CG 3.97Å
556	E	98.3	Very high	86.4	Confident	47 Å²	47	31.9 Å²	31.9	22%	0.22	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.4	165.2	-175.1	-179.3	-160.3	0	0	108.9	W180 F193 T194 L522 G523	W180-E556 HydrophobicContact CH2-CB 3.81Å; W180-E556 HydrophobicContact CZ2-CB 3.52Å; F193-E556 WeakPolarHBondContact O-CA 3.1Å; T194-E556 HydrophobicContact CG2-CB 4.08Å; T194-E556 HydrophobicContact CG2-CG 4.28Å; L522-E556 HydrophobicContact CB-CB 4.23Å; L522-E556 HydrophobicContact CB-CG 3.96Å; L522-E556 HydrophobicContact CD1-CG 4.03Å; L522-E556 HydrophobicContact CG-CG 4.49Å; L522-E556 PolarHBondContact N-O 2.6Å; G523-E556 PolarHBondContact N-O 2.86Å; G523-E556 PolarHBondContact O-N 3.25Å
557	L	97.9	Very high	83.5	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.1	179.7	-64.5	171.4	0	0	0	109.2	A192 F193 I426 Y514 F519 R520 L521 V555	A192-L557 CarbonylContact C-O 3.59Å; A192-L557 WeakPolarHBondContact CA-O 3.4Å; F193-L557 HydrophobicContact CE1-CB 4.4Å; F193-L557 HydrophobicContact CZ-CB 4.34Å; F193-L557 PolarHBondContact N-O 2.92Å; F193-L557 PolarHBondContact O-N 3.2Å; I426-L557 HydrophobicContact CD1-CD1 3.49Å; I426-L557 VanDerWaalsContact CD1-CD1 3.49Å; I426-L557 HydrophobicContact CG1-CD1 4.02Å; Y514-L557 HydrophobicContact CD1-CD1 4.46Å; Y514-L557 HydrophobicContact CD1-CD2 3.64Å; Y514-L557 HydrophobicContact CE1-CD2 3.86Å; Y514-L557 HydrophobicContact CG-CD2 4.07Å; F519-L557 HydrophobicContact CD1-CB 4.2Å; R520-L557 WeakPolarHBondContact O-CA 3.45Å; L521-L557 HydrophobicContact CB-CD2 4.35Å; L521-L557 HydrophobicContact CD1-CD2 3.75Å; V555-L557 HydrophobicContact CG2-CD1 4.11Å; V555-L557 HydrophobicContact CG2-CG 3.97Å
558	E	96.6	Very high	80.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.3	169.8	177.1	-178.5	-123.4	0	0	109.8	S187 G190 F191 F519 R520 L522 M560	S187-E558 WeakPolarHBondContact CA-OE1 3.22Å; S187-E558 VanDerWaalsContact CB-OE1 3.23Å; S187-E558 WeakPolarHBondContact CB-OE1 3.31Å; S187-E558 PolarHBondContact N-OE1 3.01Å; S187-E558 VanDerWaalsContact OG-CD 3.27Å; S187-E558 PolarHBondContact OG-OE1 2.9Å; G190-E558 WeakPolarHBondContact CA-OE1 3.5Å; F191-E558 WeakPolarHBondContact O-CA 3.4Å; F519-E558 CarbonylContact C-O 3.55Å; F519-E558 WeakPolarHBondContact CA-O 3.39Å; R520-E558 HydrophobicContact CB-CB 4.38Å; R520-E558 IonicContact CZ-OE2 3.51Å; R520-E558 PolarHBondContact N-O 3.21Å; R520-E558 IonicContact NE-OE2 2.69Å; R520-E558 PolarHBondContact NE-OE2 3.32Å; R520-E558 IonicContact NH2-OE1 3.91Å; R520-E558 PolarHBondContact NH2-OE1 3.12Å; R520-E558 IonicContact NH2-OE2 2.84Å; R520-E558 PolarHBondContact NH2-OE2 3.05Å; R520-E558 PolarHBondContact O-N 3.37Å; L522-E558 HydrophobicContact CD1-CB 3.81Å; L522-E558 HydrophobicContact CD2-CB 4.04Å; L522-E558 HydrophobicContact CG-CB 3.86Å; E558-M560 HydrophobicContact CG-SD 4.27Å; E558-M560 PolarHBondContact O-N 2.78Å; E558-M560 VanDerWaalsContact OE2-SD 3.4Å
559	L	95.8	Very high	77.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.1	169.3	178.1	58.6	0	0	0	110.1	F191 F193 T339 R349 F351 P424 F519	F191-L559 HydrophobicContact CB-CB 4.31Å; F191-L559 PolarHBondContact N-O 2.75Å; F191-L559 VanDerWaalsContact N-O 3.08Å; F191-L559 PolarHBondContact O-N 3.09Å; F193-L559 HydrophobicContact CE1-CB 4.38Å; T339-L559 HydrophobicContact CG2-CD2 4.18Å; R349-L559 HydrophobicContact CB-CD2 3.58Å; R349-L559 HydrophobicContact CB-CG 4.44Å; R349-L559 PolarHBondContact NH1-O 3.31Å; F351-L559 HydrophobicContact CB-CD2 4.33Å; F351-L559 HydrophobicContact CD1-CD2 4.03Å; F351-L559 HydrophobicContact CG-CD2 4.38Å; P424-L559 HydrophobicContact CB-CD1 3.75Å; P424-L559 HydrophobicContact CG-CD1 3.71Å; F519-L559 HydrophobicContact CD1-CB 4.17Å; F519-L559 HydrophobicContact CD1-CD1 4.24Å; F519-L559 HydrophobicContact CE1-CB 3.88Å; F519-L559 HydrophobicContact CE1-CD1 3.76Å; F519-L559 HydrophobicContact CE1-CG 4.33Å; F519-L559 HydrophobicContact CZ-CD1 3.99Å
560	M	91	Very high	74.2	Confident	41 Å²	41	53 Å²	53	20%	0.202	30%	0.295	C	S	.	.			trans	-69.4	147.1	-177.4	-60.8	-60.9	-69	0	0	111.7	H518 R520 E558 L564	H518-M560 WeakPolarHBondContact O-CB 3.16Å; H518-M560 WeakPolarHBondContact O-CG 3.21Å; H518-M560 PolarHBondContact O-N 3.12Å; R520-M560 HydrophobicContact CB-SD 4.21Å; E558-M560 HydrophobicContact CG-SD 4.27Å; E558-M560 PolarHBondContact O-N 2.78Å; E558-M560 VanDerWaalsContact OE2-SD 3.4Å; M560-L564 HydrophobicContact CE-CD1 3.75Å
561	P	81.6	Confident	70.8	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.091	33%	0.329	C	S	.	.			trans	-67.2	142.2	174.2	26.9	-34	0	0	0	111.6	D189 H563 L564	D189-P561 HydrophobicContact CB-CG 4.24Å; P561-H563 PolarHBondContact O-N 3.18Å; P561-H563 VanDerWaalsContact O-N 3.09Å; P561-L564 HydrophobicContact CG-CD1 3.51Å; P561-L564 HydrophobicContact CG-CG 3.92Å; P561-L564 PolarHBondContact O-N 3.09Å
562	T	71.2	Confident	67.5	Low	98 Å²	98	64.3 Å²	64.3	60%	0.601	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-56	-31.9	-174.7	-42.5	0	0	0	0	113.6	L564 L565	T562-L564 PolarHBondContact O-N 2.96Å; T562-L565 HydrophobicContact CG2-CD1 4.28Å; T562-L565 WeakPolarHBondContact O-CB 3.37Å; T562-L565 PolarHBondContact O-N 3.3Å
563	H	58.8	Low	64.2	Low	172 Å²	172	69.8 Å²	69.8	80%	0.796	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-67.1	-20.1	-179.2	-64.6	-65.7	0	0	0	114.2	P561 L565 T566	P561-H563 PolarHBondContact O-N 3.18Å; P561-H563 VanDerWaalsContact O-N 3.09Å; H563-L565 VanDerWaalsContact C-N 3.34Å; H563-T566 PolarHBondContact O-OG1 3.22Å
564	L	52.3	Low	60.9	Low	102 Å²	102	78.5 Å²	78.5	53%	0.534	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-83.6	-10.5	178.4	-67.7	176	0	0	0	113.2	M560 P561 T562	M560-L564 HydrophobicContact CE-CD1 3.75Å; P561-L564 HydrophobicContact CG-CD1 3.51Å; P561-L564 HydrophobicContact CG-CG 3.92Å; P561-L564 PolarHBondContact O-N 3.09Å; T562-L564 PolarHBondContact O-N 2.96Å
565	L	53.4	Low	57.7	Low	35 Å²	35	85.5 Å²	85.5	18%	0.183	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-78.4	-18.2	-175.2	-61.7	170.2	0	0	0	113.7	Q517 T562 H563	Q517-L565 HydrophobicContact CB-CD2 4.36Å; Q517-L565 HydrophobicContact CG-CD2 4.42Å; Q517-L565 WeakPolarHBondContact O-CD2 3.13Å; T562-L565 HydrophobicContact CG2-CD1 4.28Å; T562-L565 WeakPolarHBondContact O-CB 3.37Å; T562-L565 PolarHBondContact O-N 3.3Å; H563-L565 VanDerWaalsContact C-N 3.34Å
566	T	39.2	Very low	54.2	Low	115 Å²	115	96.1 Å²	96.1	71%	0.706	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-84.6	-10.9	-174.8	47.9	0	0	0	0	114	H563	H563-T566 PolarHBondContact O-OG1 3.22Å
567	A	34.8	Very low	50.8	Low	93 Å²	93	99.3 Å²	99.3	77%	0.769	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-82.4	-12	-175.9	0	0	0	0	0	114.8
568	S	34	Very low	47.5	Very low	86 Å²	86	105 Å²	105	60%	0.601	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-110.2	8.5	-172.2	47.2	0	0	0	0	115.4	V570	S568-V570 VanDerWaalsContact C-N 3.33Å; S568-V570 PolarHBondContact O-N 3.35Å
569	Y	35.4	Very low	44.3	Very low	171 Å²	171	110.3 Å²	110.3	67%	0.671	61%	0.609	S	S	*	*			trans	-88	13.6	180	-90.8	-83.4	0	0	0	115.5
570	V	30.1	Very low	41	Very low	120 Å²	120	119.1 Å²	119.1	73%	0.727	65%	0.65	S	S	*	*	S	Bend	trans	-111.1	104	173	-171.3	0	0	0	0	108.7	S568	S568-V570 VanDerWaalsContact C-N 3.33Å; S568-V570 PolarHBondContact O-N 3.35Å
571	N	26.7	Very low	38	Very low	139 Å²	139	122.3 Å²	122.3	74%	0.743	67%	0.672	S	S	*	*			trans	100.9	114.1	174.1	-55.4	-40.4	0	0	0	116
572	P	27.5	Very low	35.6	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	71%	0.71	S	S	*	*			trans	-66.6	145.2	161.9	31.5	-31.9	0	0	0	108.5	Q574	P572-Q574 PolarHBondContact O-N 3.39Å; P572-Q574 VanDerWaalsContact O-N 3.08Å
573	P	28.4	Very low	33.5	Very low	115 Å²	115	130.5 Å²	130.5	75%	0.747	72%	0.716	S	S	*	*			trans	-67.2	115.2	173.4	19.9	-16.5	0	0	0	108.2	N575	P573-N575 PolarHBondContact O-N 3.27Å; P573-N575 VanDerWaalsContact O-N 3.15Å
574	Q	29	Very low	32.2	Very low	184 Å²	184	132.6 Å²	132.6	86%	0.86	72%	0.723	S	S	*	*			trans	-63.1	109.6	157.9	-75.2	-178.6	-15.1	0	0	106.7	P572 R576	P572-Q574 PolarHBondContact O-N 3.39Å; P572-Q574 VanDerWaalsContact O-N 3.08Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.16Å
575	N	31.6	Very low	31.1	Very low	151 Å²	151	132 Å²	132	81%	0.807	73%	0.732	S	S	*	*			trans	-59.1	95.8	168	-87	-6.6	0	0	0	109.1	P573	P573-N575 PolarHBondContact O-N 3.27Å; P573-N575 VanDerWaalsContact O-N 3.15Å
576	R	25.4	Very low	30.1	Very low	223 Å²	223	138.9 Å²	138.9	84%	0.842	76%	0.764	S	S	*	*			trans	-90.9	93.5	146.1	-86.9	-175.3	176.3	-179.5	-0.9	106.6	Q574 T578	Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.16Å; R576-T578 VanDerWaalsContact C-N 3.3Å; R576-T578 PolarHBondContact O-N 2.92Å; R576-T578 VanDerWaalsContact O-N 3.1Å
577	C	26.4	Very low	29.7	Very low	115 Å²	115	140 Å²	140	78%	0.777	77%	0.766	S	S	*	*			trans	-67.8	95.8	154.5	-91.1	0	0	0	0	107	V579	C577-V579 PolarHBondContact O-N 3.39Å
578	T	27.9	Very low	29.8	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	77%	0.771	S	S	*	*			trans	-79.4	104.2	153.7	42.3	0	0	0	0	106.3	R576 E580	R576-T578 VanDerWaalsContact C-N 3.3Å; R576-T578 PolarHBondContact O-N 2.92Å; R576-T578 VanDerWaalsContact O-N 3.1Å; T578-E580 PolarHBondContact O-N 3.39Å
579	V	28.7	Very low	29.8	Very low	111 Å²	111	147.5 Å²	147.5	67%	0.673	78%	0.782	S	S	*	*			trans	-66.2	108.1	164.2	175.8	0	0	0	0	106.2	C577 T581	C577-V579 PolarHBondContact O-N 3.39Å; V579-T581 VanDerWaalsContact C-N 3.3Å; V579-T581 HydrophobicContact CG1-CG2 3.6Å; V579-T581 PolarHBondContact O-N 3.46Å; V579-T581 VanDerWaalsContact O-N 3.17Å
580	E	27.5	Very low	29.7	Very low	189 Å²	189	143 Å²	143	88%	0.883	78%	0.781	S	S	*	*			trans	-77.5	89.7	161.1	-75.9	-178.1	166.6	0	0	106.9	T578	T578-E580 PolarHBondContact O-N 3.39Å
581	T	29.1	Very low	29.9	Very low	107 Å²	107	144.8 Å²	144.8	66%	0.656	79%	0.786	S	S	*	*			trans	-79.2	110.6	162.1	38.3	0	0	0	0	108	V579 T583	V579-T581 VanDerWaalsContact C-N 3.3Å; V579-T581 HydrophobicContact CG1-CG2 3.6Å; V579-T581 PolarHBondContact O-N 3.46Å; V579-T581 VanDerWaalsContact O-N 3.17Å; T581-T583 PolarHBondContact O-N 2.84Å
582	D	29.2	Very low	30.1	Very low	166 Å²	166	143.4 Å²	143.4	89%	0.888	78%	0.783	S	S	*	*			trans	-61.3	121.3	161.2	-89.4	-31.7	0	0	0	109.4
583	T	28.7	Very low	30.4	Very low	119 Å²	119	144.9 Å²	144.9	73%	0.73	79%	0.785	S	S	*	*			trans	-73.1	119.1	-179.4	45.1	0	0	0	0	111.3	T581	T581-T583 PolarHBondContact O-N 2.84Å
584	F	30.6	Very low	30.5	Very low	215 Å²	215	146 Å²	146	94%	0.943	79%	0.785	S	S	*	*			trans	-126.2	103.1	142.9	-89.9	-83.9	0	0	0	107.4
585	A	28.8	Very low	30.7	Very low	89 Å²	89	144.9 Å²	144.9	74%	0.736	78%	0.784	S	S	*	*			trans	-89.1	137.1	170.5	0	0	0	0	0	108.9
586	E	33.5	Very low	30.6	Very low	181 Å²	181	143 Å²	143	85%	0.846	78%	0.783	S	S	*	*				-173.6	111.9	127.4	-100.5	172.5	-165.9	0	0	110.2
587	D	31.4	Very low	30.9	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	78%	0.778	S	S	*	*				60	105.3	129.9	-70.6	-2	0	0	0	121.4
588	M	36.4	Very low	31.2	Very low	178 Å²	178	137.6 Å²	137.6	88%	0.877	78%	0.78	S	S	*	*				169.3	111.6	100.1	-81.6	-116.3	-177	0	0	113.9
589	N	33.8	Very low	31.2	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	78%	0.78	S	S	*	*			trans	16.1	127.1	145.1	-90.8	-23.6	0	0	0	123.9
590	A	32.5	Very low	31.3	Very low	78 Å²	78	140.9 Å²	140.9	65%	0.645	79%	0.79	S	S	*	*				66.4	113	121.2	0	0	0	0	0	119.8
591	N	33.9	Very low	31.3	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	79%	0.789	S	S	*	*				175.9	149	81.3	-109.6	-24.2	0	0	0	112.5
592	T	31.1	Very low	31.4	Very low	109 Å²	109	141 Å²	141	67%	0.669	79%	0.794	S	S	*	*			trans	-61.4	141.7	175	46	0	0	0	0	114.9
593	N	33.8	Very low	31.2	Very low	141 Å²	141	144.5 Å²	144.5	75%	0.754	80%	0.797	S	S	*	*				168.4	131	107.8	-95.1	-27.1	0	0	0	114
594	N	31.1	Very low	31.2	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	79%	0.792	S	S	*	*			trans	14.5	123.6	142.9	-62.6	-19.5	0	0	0	119.2
595	N	33.8	Very low	31.2	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	78%	0.783	S	S	*	*				-169.3	146.2	106.5	-106.6	-18	0	0	0	114.2
596	S	29.3	Very low	31.2	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	79%	0.792	S	S	*	*			trans	-52.9	150.3	172.5	50.6	0	0	0	0	115.7
597	G	31.8	Very low	31	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	78%	0.783	S	S	*	*			trans	166.3	97.2	156.9	0	0	0	0	0	116
598	N	31.5	Very low	30.9	Very low	152 Å²	152	143.2 Å²	143.2	81%	0.813	78%	0.781	S	S	*	*			trans	59.5	120.4	142.6	-68.7	-11.8	0	0	0	122.3
599	N	28.2	Very low	30.5	Very low	136 Å²	136	146 Å²	146	73%	0.727	78%	0.782	S	S	*	*				34.3	114.6	127.5	-62.2	-12	0	0	0	118.2
600	D	31	Very low	30.2	Very low	164 Å²	164	146 Å²	146	88%	0.877	78%	0.781	S	S	*	*				-161.6	134.3	107.6	-100.6	-25.2	0	0	0	112.5
601	H	28	Very low	30.1	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.875	79%	0.786	S	S	*	*			trans	-72.6	123	174.4	-76.1	-63.2	0	0	0	110.3
602	S	30.5	Very low	29.7	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	78%	0.779	S	S	*	*			trans	-143.5	116.1	150.2	52.3	0	0	0	0	110.1
603	Y	26.5	Very low	29.5	Very low	240 Å²	240	145.1 Å²	145.1	94%	0.941	78%	0.78	S	S	*	*			trans	-76	109	166.6	-112.1	-102.8	0	0	0	106.8
604	S	28.8	Very low	29.2	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	79%	0.789	S	S	*	*			trans	-161.4	130.7	160.9	60.2	0	0	0	0	110.5
605	D	29.6	Very low	29	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	78%	0.784	S	S	*	*			trans	64.1	80.6	151	-53.3	-22.1	0	0	0	118
606	K	28.1	Very low	28.7	Very low	213 Å²	213	144.5 Å²	144.5	93%	0.926	78%	0.783	S	S	*	*			trans	-130	62.8	152.3	-77.1	-171.2	179.4	178.4	0	110.3
607	Q	29.5	Very low	28.6	Very low	140 Å²	140	146.4 Å²	146.4	65%	0.654	78%	0.783	S	S	*	*	S	Bend	trans	-135	16.1	166.4	-131.2	161.4	-2.5	0	0	113.2
608	D	29	Very low	28.3	Very low	133 Å²	133	148 Å²	148	71%	0.711	78%	0.783	S	S	*	*	S	Bend	trans	-119.6	31.2	-179.9	-85	-27.9	0	0	0	113.7
609	R	28.3	Very low	28.2	Very low	237 Å²	237	146.9 Å²	146.9	89%	0.894	78%	0.781	S	S	*	*	S	Bend	trans	-123.5	19.1	179.6	-84.3	-166	-173.4	-166.7	2.6	116.9
610	L	28	Very low	28.1	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	78%	0.784	S	S	*	*	S	Bend	trans	-118.1	6.2	166.7	-76.4	164.2	0	0	0	114.2
611	L	29.5	Very low	28.1	Very low	142 Å²	142	145.9 Å²	145.9	74%	0.743	78%	0.781	S	S	*	*	S	Bend	trans	-104.6	13.5	170.1	-71.9	171.4	0	0	0	113.6
612	A	26.1	Very low	28.2	Very low	85 Å²	85	144.3 Å²	144.3	70%	0.702	78%	0.779	S	S	*	*			trans	-132.3	64.3	-178.9	0	0	0	0	0	111.9
613	S	27.7	Very low	28.1	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	78%	0.78	S	S	*	*			trans	-145.3	60.3	154.7	65.8	0	0	0	0	110	G615	S613-G615 PolarHBondContact O-N 3.27Å
614	N	27.1	Very low	28.4	Very low	175 Å²	175	137.9 Å²	137.9	94%	0.936	78%	0.775	S	S	*	*			trans	-68.2	86.9	152.7	-83.1	-17.6	0	0	0	107.1
615	G	26.4	Very low	28.4	Very low	62 Å²	62	140.9 Å²	140.9	64%	0.639	79%	0.785	S	S	*	*			trans	-146.3	48.8	179.8	0	0	0	0	0	110.3	S613	S613-G615 PolarHBondContact O-N 3.27Å
616	F	28.3	Very low	28.6	Very low	188 Å²	188	142.6 Å²	142.6	83%	0.825	79%	0.788	S	S	*	*			trans	-112.2	99.9	168.3	-83.5	-80.9	0	0	0	109.3
617	L	27	Very low	28.9	Very low	153 Å²	153	140.1 Å²	140.1	80%	0.801	78%	0.779	S	S	*	*			trans	33.2	106	154.6	-73.2	150.5	0	0	0	117.7	V619	L617-V619 PolarHBondContact O-N 3.49Å
618	S	25.5	Very low	28.8	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	78%	0.781	S	S	*	*			trans	-55.8	117.6	156.7	53.9	0	0	0	0	110.3
619	V	29.4	Very low	28.8	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	78%	0.78	S	S	*	*			trans	-92.6	110	161.2	-177.5	0	0	0	0	107.2	L617 T621	L617-V619 PolarHBondContact O-N 3.49Å; V619-T621 PolarHBondContact O-N 3.44Å
620	D	26.7	Very low	29.1	Very low	146 Å²	146	133 Å²	133	78%	0.781	77%	0.773	S	S	*	*			trans	-61.8	114.6	169	-76.3	-42.7	0	0	0	109.8
621	T	29.6	Very low	29.4	Very low	134 Å²	134	131 Å²	131	82%	0.822	76%	0.763	S	S	*	*			trans	-95.9	98.3	163.2	54.1	0	0	0	0	109.1	V619	V619-T621 PolarHBondContact O-N 3.44Å
622	N	31.2	Very low	29.5	Very low	156 Å²	156	132.4 Å²	132.4	83%	0.834	76%	0.763	S	S	*	*			trans	-80.6	138.1	164.1	-101.9	-28	0	0	0	110.6
623	S	28.4	Very low	29.8	Very low	110 Å²	110	133 Å²	133	77%	0.769	76%	0.762	S	S	*	*			trans	-56.4	144.4	-178.4	61.4	0	0	0	0	115.2
624	A	31.2	Very low	30	Very low	103 Å²	103	139 Å²	139	85%	0.851	77%	0.77	S	S	*	*			trans	-150.9	106.4	141.3	0	0	0	0	0	110.5
625	N	29	Very low	30.2	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	76%	0.764	S	S	*	*			trans	-59.2	136.6	160.4	-81.1	-38.6	0	0	0	110
626	H	34.9	Very low	30.9	Very low	177 Å²	177	148.6 Å²	148.6	82%	0.819	79%	0.792	S	S	*	*			trans	-163.4	113.9	132.7	-102.1	-54.3	0	0	0	113.2
627	H	33.3	Very low	31	Very low	162 Å²	162	146.7 Å²	146.7	75%	0.75	79%	0.791	S	S	*	*			trans	37	112.2	136.6	-74.3	-44.2	0	0	0	122.4
628	S	28.9	Very low	31.2	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	79%	0.79	S	S	*	*				72.1	119.8	115.5	79.5	0	0	0	0	120.8
629	S	29.4	Very low	31.5	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	79%	0.793	S	S	*	*				105	127.2	121.7	74.9	0	0	0	0	118.6
630	H	33.9	Very low	31.6	Very low	162 Å²	162	149.8 Å²	149.8	75%	0.75	79%	0.794	S	S	*	*			trans	89.4	104.7	144.6	-77.7	-17.7	0	0	0	120.7
631	N	33.9	Very low	32	Very low	115 Å²	115	150.1 Å²	150.1	62%	0.615	80%	0.795	S	S	*	*				89.4	116.1	116.2	-87.1	-21.9	0	0	0	118.9
632	K	32.6	Very low	32.1	Very low	172 Å²	172	151.1 Å²	151.1	75%	0.748	79%	0.793	S	S	*	*				77.6	104.8	123.5	-75.1	-178.4	179.3	-177.4	0	118
633	S	30.7	Very low	32.2	Very low	98 Å²	98	150.8 Å²	150.8	69%	0.685	79%	0.79	S	S	*	*				52.6	115.1	120.3	68.2	0	0	0	0	118.3
634	R	32.9	Very low	32.5	Very low	224 Å²	224	153.9 Å²	153.9	85%	0.845	79%	0.792	S	S	*	*				172.6	134	100	-99.5	177.4	166.9	170.9	-4.6	110.7
635	E	31.6	Very low	32.6	Very low	172 Å²	172	158.2 Å²	158.2	80%	0.804	79%	0.787	S	S	*	*			trans	7.4	118.7	144.7	-63.8	168.1	154.9	0	0	117.8
636	H	40	Very low	32.9	Very low	267 Å²	267	158.7 Å²	158.7	100%	1.236	79%	0.785	S	S	*	*				-152.7	0	113.3	-103.5	-53	0	0	0	110.7

Retrieved 636 of 636 residues in 1241.1 ms (Link to these results)

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