G4LYZ1_SCHMA Loading...

Glutamate dehydrogenase

AlphaFold DB , UniProt , Accession G4LYZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 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	38.6	Very low	38.8	Very low	101 Å²	101	64.5 Å²	64.5	50%	0.498	34%	0.338	S	S	.	.				0	-64.4	0	-172.6	180	63.9	0	0	114	M3 A4 L5 A148	M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.14Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 2.99Å; M1-L5 HydrophobicContact CG-CD1 4.21Å; M1-L5 PolarHBondContact O-N 2.85Å; M1-A148 HydrophobicContact CE-CB 3.37Å; M1-A148 HydrophobicContact SD-CB 3.2Å; M1-A148 WeakPolarHBondContact SD-CB 3.28Å
2	L	40.4	Very low	38.2	Very low	42 Å²	42	71.4 Å²	71.4	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-39.3	-177.2	-101.1	142	0	0	0	114	A4 L5 L6 L60 L81 I84	L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.36Å; L2-L5 WeakPolarHBondContact O-CB 3.48Å; L2-L5 PolarHBondContact O-N 3.48Å; L2-L6 WeakPolarHBondContact O-CG 3.44Å; L2-L6 PolarHBondContact O-N 3.3Å; L2-L60 HydrophobicContact CB-CD1 4.47Å; L2-L60 HydrophobicContact CB-CD2 3.83Å; L2-L60 HydrophobicContact CD1-CD1 4.23Å; L2-L60 HydrophobicContact CD2-CD1 3.85Å; L2-L60 HydrophobicContact CG-CD1 4.4Å; L2-L81 HydrophobicContact CD1-CD2 4.4Å; L2-L81 HydrophobicContact CD2-CD2 3.66Å; L2-L81 HydrophobicContact CD2-CG 4.48Å; L2-I84 HydrophobicContact CD2-CD1 3.66Å; L2-I84 HydrophobicContact CG-CD1 4.3Å
3	M	38.1	Very low	37.5	Very low	54 Å²	54	74.5 Å²	74.5	27%	0.266	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-34	173.9	-69	-62.9	-73	0	0	113.5	M1 L6 N7 L60 K63	M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.14Å; M3-L6 HydrophobicContact SD-CD1 4.14Å; M3-N7 WeakPolarHBondContact O-CB 3.48Å; M3-N7 PolarHBondContact O-N 3.34Å; M3-L60 HydrophobicContact SD-CD2 4.35Å; M3-K63 HydrophobicContact CE-CB 3.66Å; M3-K63 WeakPolarHBondContact CE-O 3.29Å; M3-K63 HydrophobicContact SD-CB 3.82Å
4	A	42.7	Very low	37.2	Very low	44 Å²	44	81.9 Å²	81.9	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-73	-33.6	176.1	0	0	0	0	0	111.7	M1 L2 N8	M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 2.99Å; L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.36Å; A4-N8 WeakPolarHBondContact O-CB 3.29Å; A4-N8 PolarHBondContact O-N 2.88Å
5	L	41.8	Very low	37	Very low	29 Å²	29	84.2 Å²	84.2	15%	0.152	44%	0.442	C	S	.	.	H	α-helix	trans	-65.3	-46.7	170.4	-94.5	153.8	0	0	0	111.5	M1 L2 N8 L9 I84 H117	M1-L5 HydrophobicContact CG-CD1 4.21Å; M1-L5 PolarHBondContact O-N 2.85Å; L2-L5 WeakPolarHBondContact O-CB 3.48Å; L2-L5 PolarHBondContact O-N 3.48Å; L5-N8 PolarHBondContact O-N 2.99Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 2.9Å; L5-I84 HydrophobicContact CD1-CD1 4Å; L5-I84 HydrophobicContact CD1-CG1 4.41Å; L5-H117 HydrophobicContact CD1-CB 4.3Å; L5-H117 HydrophobicContact CD2-CB 3.73Å; L5-H117 HydrophobicContact CG-CB 4.17Å
6	L	35.8	Very low	36.5	Very low	1 Å²	1	88.1 Å²	88.1	1%	0.005	46%	0.462	C	S	.	.	H	α-helix	trans	-58.8	-47	175.1	-80.1	156.3	0	0	0	111.5	L2 M3 N8 L9 I10 L60 L64 I76 V77 T80	L2-L6 WeakPolarHBondContact O-CG 3.44Å; L2-L6 PolarHBondContact O-N 3.3Å; M3-L6 HydrophobicContact SD-CD1 4.14Å; L6-N8 PolarHBondContact O-N 2.87Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-I10 WeakPolarHBondContact O-CD1 3.41Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.37Å; L6-L60 HydrophobicContact CD1-CD2 4.4Å; L6-L64 HydrophobicContact CB-CD1 3.99Å; L6-L64 HydrophobicContact CD1-CD1 4.2Å; L6-L64 HydrophobicContact CD2-CD1 3.95Å; L6-L64 HydrophobicContact CG-CD1 4.27Å; L6-I76 HydrophobicContact CD2-CG2 3.77Å; L6-V77 HydrophobicContact CD1-CG2 4.48Å; L6-V77 HydrophobicContact CD2-CG2 4.28Å; L6-T80 HydrophobicContact CD2-CG2 4.19Å; L6-T80 WeakPolarHBondContact CD2-OG1 3.25Å; L6-T80 HydrophobicContact CG-CG2 4.25Å
7	N	39.5	Very low	35.8	Very low	61 Å²	61	90.1 Å²	90.1	33%	0.326	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-39.2	179	-77.2	-2.9	0	0	0	112.8	M3 I10 H11	M3-N7 WeakPolarHBondContact O-CB 3.48Å; M3-N7 PolarHBondContact O-N 3.34Å; N7-I10 PolarHBondContact O-N 2.85Å; N7-H11 PolarHBondContact O-CD2 3.11Å; N7-H11 PolarHBondContact O-N 2.91Å
8	N	39.1	Very low	35.3	Very low	109 Å²	109	98.4 Å²	98.4	58%	0.583	51%	0.507	S	S	*	.	H	α-helix	trans	-68	-34.8	176.6	-89	-30.8	0	0	0	112.9	A4 L5 L6 K12	A4-N8 WeakPolarHBondContact O-CB 3.29Å; A4-N8 PolarHBondContact O-N 2.88Å; L5-N8 PolarHBondContact O-N 2.99Å; L6-N8 PolarHBondContact O-N 2.87Å; N8-K12 PolarHBondContact O-N 3.3Å
9	L	34.8	Very low	34.7	Very low	59 Å²	59	104.6 Å²	104.6	31%	0.309	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-35.9	177	-75.5	164.6	0	0	0	112.3	L5 L6 H11 T80	L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 2.9Å; L6-L9 PolarHBondContact O-N 2.99Å; L9-H11 VanDerWaalsContact C-N 3.34Å; L9-T80 HydrophobicContact CD1-CG2 3.71Å
10	I	40.7	Very low	34.3	Very low	65 Å²	65	103.5 Å²	103.5	33%	0.333	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-35	176.7	-70.1	167	0	0	0	111.6	L6 N7 L64	L6-I10 WeakPolarHBondContact O-CD1 3.41Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.37Å; N7-I10 PolarHBondContact O-N 2.85Å; I10-L64 HydrophobicContact CD1-CD1 3.77Å; I10-L64 HydrophobicContact CD1-CG 4.45Å
11	H	34.8	Very low	33.8	Very low	144 Å²	144	106.7 Å²	106.7	67%	0.667	55%	0.548	S	S	*	.	H	α-helix	trans	-93.3	-7.8	-174.5	-68.3	-53.7	0	0	0	115.5	N7 L9	N7-H11 PolarHBondContact O-CD2 3.11Å; N7-H11 PolarHBondContact O-N 2.91Å; L9-H11 VanDerWaalsContact C-N 3.34Å
12	K	32.1	Very low	33.2	Very low	148 Å²	148	110.2 Å²	110.2	64%	0.643	56%	0.561	S	S	*	*			trans	-142.3	71.5	177.5	-70.5	-170.1	177.3	-177.6	0	113	N8 E14	N8-K12 PolarHBondContact O-N 3.3Å; K12-E14 PolarHBondContact O-N 3.14Å
13	P	29.2	Very low	32.4	Very low	111 Å²	111	118.8 Å²	118.8	72%	0.721	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-66.2	-17.8	178.8	25.3	-32.7	0	0	0	114.2	V15	P13-V15 PolarHBondContact O-N 3.24Å
14	E	33.2	Very low	31.8	Very low	179 Å²	179	123.7 Å²	123.7	84%	0.836	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-84.9	-4.3	-168.9	-66.5	-172.4	161.1	0	0	116.2	K12	K12-E14 PolarHBondContact O-N 3.14Å
15	V	34.1	Very low	30.9	Very low	116 Å²	116	126.7 Å²	126.7	70%	0.703	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-90.2	-4	-170.3	-175.2	0	0	0	0	114.2	P13	P13-V15 PolarHBondContact O-N 3.24Å
16	L	29.4	Very low	30	Very low	147 Å²	147	132.3 Å²	132.3	77%	0.77	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-127	36.4	-174.5	-82.1	163.3	0	0	0	114.9
17	C	24.4	Very low	29.5	Very low	122 Å²	122	138.8 Å²	138.8	82%	0.824	69%	0.694	S	S	*	*			trans	-111	69.1	169.4	-144	0	0	0	0	111
18	R	26.3	Very low	28.9	Very low	239 Å²	239	140.6 Å²	140.6	90%	0.902	71%	0.709	S	S	*	*			trans	-114.7	112.5	157.4	-85.1	-171.1	177.1	-172.8	0.1	108.3	S20	R18-S20 PolarHBondContact O-N 2.9Å
19	K	23.9	Very low	28.4	Very low	216 Å²	216	142.1 Å²	142.1	94%	0.939	72%	0.717	S	S	*	*			trans	-49.1	91.4	174.8	-69.4	174.9	174.3	177.6	0	110.6
20	S	26.3	Very low	28.2	Very low	82 Å²	82	143.6 Å²	143.6	57%	0.573	73%	0.731	S	S	*	*			trans	-98	122.7	157.9	54.2	0	0	0	0	107.5	R18 F22	R18-S20 PolarHBondContact O-N 2.9Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 2.75Å
21	I	24.6	Very low	27.7	Very low	171 Å²	171	147.6 Å²	147.6	88%	0.877	75%	0.753	S	S	*	*			trans	-57.5	92.1	176.8	-65.4	162.2	0	0	0	108.2	R23	I21-R23 PolarHBondContact O-N 3.19Å
22	F	26.3	Very low	27.6	Very low	175 Å²	175	147.6 Å²	147.6	77%	0.768	75%	0.748	S	S	*	*			trans	-78	102	163.6	-91.4	-88	0	0	0	106.6	S20 L24	S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 2.75Å; F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 PolarHBondContact O-N 3.21Å
23	R	23.7	Very low	27.8	Very low	222 Å²	222	143.1 Å²	143.1	84%	0.838	74%	0.735	S	S	*	*			trans	-58.1	106.4	149.7	-90	-176.6	175.2	-179	-1.2	105.5	I21 V25	I21-R23 PolarHBondContact O-N 3.19Å; R23-V25 PolarHBondContact O-N 3.14Å
24	L	24.2	Very low	28.8	Very low	157 Å²	157	141.6 Å²	141.6	82%	0.822	72%	0.724	S	S	*	*			trans	-57.3	85.4	159.6	-80.4	157.7	0	0	0	106.8	F22 N26	F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 PolarHBondContact O-N 3.21Å; L24-N26 PolarHBondContact O-N 3.09Å
25	V	24	Very low	29.4	Very low	108 Å²	108	139.2 Å²	139.2	66%	0.655	71%	0.713	S	S	*	*			trans	-69.5	96.4	155.6	-175.8	0	0	0	0	103.5	R23 I27	R23-V25 PolarHBondContact O-N 3.14Å; V25-I27 HydrophobicContact CB-CG1 4.34Å; V25-I27 HydrophobicContact CG1-CG1 3.65Å; V25-I27 PolarHBondContact O-N 3.23Å
26	N	23.1	Very low	30.6	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	71%	0.705	S	S	*	*			trans	-56.2	87.6	156.1	-86.5	-25.3	0	0	0	106.1	L24 P28	L24-N26 PolarHBondContact O-N 3.09Å; N26-P28 VanDerWaalsContact O-CD 3.32Å; N26-P28 WeakPolarHBondContact O-CD 3.19Å
27	I	26.8	Very low	32.6	Very low	137 Å²	137	134.3 Å²	134.3	70%	0.703	68%	0.68	S	S	*	*			trans	-73.6	110.5	161.7	-57.2	178.4	0	0	0	103.3	V25 N29	V25-I27 HydrophobicContact CB-CG1 4.34Å; V25-I27 HydrophobicContact CG1-CG1 3.65Å; V25-I27 PolarHBondContact O-N 3.23Å; I27-N29 PolarHBondContact O-N 3.04Å
28	P	25.6	Very low	34.8	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	67%	0.673	S	S	*	*			trans	-57.7	144.5	179.1	27.9	-33.3	0	0	0	107.8	N26 C30	N26-P28 VanDerWaalsContact O-CD 3.32Å; N26-P28 WeakPolarHBondContact O-CD 3.19Å; P28-C30 PolarHBondContact O-N 3.27Å
29	N	29.6	Very low	37.3	Very low	142 Å²	142	123.5 Å²	123.5	76%	0.759	63%	0.632	S	S	*	*	S	Bend	trans	-4.7	113.4	168.9	-72.1	-25.9	0	0	0	112.7	I27 L31	I27-N29 PolarHBondContact O-N 3.04Å; N29-L31 VanDerWaalsContact C-N 3.27Å; N29-L31 WeakPolarHBondContact O-CA 3.35Å; N29-L31 WeakPolarHBondContact O-CB 3.31Å; N29-L31 WeakPolarHBondContact O-CG 3.32Å; N29-L31 PolarHBondContact O-N 3.07Å
30	C	30.9	Very low	40.1	Very low	89 Å²	89	116 Å²	116	60%	0.601	61%	0.605	S	S	*	*			trans	-46.6	94.4	175.5	-150.2	0	0	0	0	109	P28 Y32	P28-C30 PolarHBondContact O-N 3.27Å; C30-Y32 PolarHBondContact O-N 2.85Å
31	L	29.3	Very low	42.5	Very low	150 Å²	150	113.4 Å²	113.4	79%	0.785	58%	0.583	S	S	*	*			trans	-94	18.8	-171.8	-99	161.7	0	0	0	110.7	N29	N29-L31 VanDerWaalsContact C-N 3.27Å; N29-L31 WeakPolarHBondContact O-CA 3.35Å; N29-L31 WeakPolarHBondContact O-CB 3.31Å; N29-L31 WeakPolarHBondContact O-CG 3.32Å; N29-L31 PolarHBondContact O-N 3.07Å
32	Y	32.4	Very low	45.2	Very low	143 Å²	143	107.8 Å²	107.8	56%	0.561	55%	0.554	S	S	*	*			trans	-96.1	109.3	165.2	-68.2	-79.4	0	0	0	107.7	C30 T34 L43	C30-Y32 PolarHBondContact O-N 2.85Å; Y32-T34 PolarHBondContact O-N 3.5Å; Y32-L43 HydrophobicContact CD2-CD1 4.03Å; Y32-L43 HydrophobicContact CE2-CD1 4.43Å; Y32-L43 HydrophobicContact CG-CD1 4.43Å
33	S	37.4	Very low	48.1	Very low	54 Å²	54	101.2 Å²	101.2	38%	0.378	53%	0.526	S	S	.	.			trans	-54.1	132.7	160.6	176.5	0	0	0	0	107.8	E35	S33-E35 PolarHBondContact O-N 3.34Å; S33-E35 WeakPolarHBondContact OG-CB 3.39Å; S33-E35 VanDerWaalsContact OG-CD 3.25Å; S33-E35 WeakPolarHBondContact OG-CG 3.12Å; S33-E35 PolarHBondContact OG-N 2.95Å; S33-E35 PolarHBondContact OG-OE2 3.05Å
34	T	49.4	Very low	50.9	Low	80 Å²	80	90.9 Å²	90.9	49%	0.491	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	6.3	171.5	50.3	0	0	0	0	112.8	Y32	Y32-T34 PolarHBondContact O-N 3.5Å
35	E	46.7	Very low	53.7	Low	129 Å²	129	83.8 Å²	83.8	60%	0.603	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1	-176.2	-59.2	174.4	152.7	0	0	114.9	S33 K388	S33-E35 PolarHBondContact O-N 3.34Å; S33-E35 WeakPolarHBondContact OG-CB 3.39Å; S33-E35 VanDerWaalsContact OG-CD 3.25Å; S33-E35 WeakPolarHBondContact OG-CG 3.12Å; S33-E35 PolarHBondContact OG-N 2.95Å; S33-E35 PolarHBondContact OG-OE2 3.05Å; E35-K388 VanDerWaalsContact O-CD 3.27Å; E35-K388 WeakPolarHBondContact O-CD 3.48Å
36	Q	59.3	Low	56.7	Low	116 Å²	116	81.6 Å²	81.6	54%	0.542	43%	0.433	S	S	.	.			trans	-88.4	142.3	171.8	-69.5	-177.3	-8.8	0	0	110.8	I39	Q36-I39 HydrophobicContact CB-CD1 4.4Å; Q36-I39 HydrophobicContact CB-CG1 3.94Å; Q36-I39 WeakPolarHBondContact O-CD1 3.32Å; Q36-I39 WeakPolarHBondContact O-CG1 3.37Å
37	D	69.5	Low	59.8	Low	43 Å²	43	75.5 Å²	75.5	23%	0.23	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-32.6	179.1	-85.2	-26.7	0	0	0	112.6	I39 H365 S366 T386	D37-I39 VanDerWaalsContact C-N 3.29Å; D37-I39 PolarHBondContact O-N 3.12Å; D37-H365 HydrophobicContact CB-CB 4.35Å; D37-H365 IonicContact OD2-ND1 3.64Å; D37-S366 VanDerWaalsContact CG-N 3.26Å; D37-S366 VanDerWaalsContact OD1-CB 3.29Å; D37-S366 WeakPolarHBondContact OD1-CB 3.26Å; D37-S366 PolarHBondContact OD1-N 2.8Å; D37-S366 PolarHBondContact OD1-OG 2.78Å; D37-S366 WeakPolarHBondContact OD2-CA 3.46Å; D37-S366 WeakPolarHBondContact OD2-CB 3.06Å; D37-S366 PolarHBondContact OD2-N 2.87Å; D37-S366 PolarHBondContact OD2-OG 2.86Å; D37-T386 PolarHBondContact OD1-OG1 3.46Å
38	D	72.5	Confident	62.6	Low	127 Å²	127	72.8 Å²	72.8	68%	0.679	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	43.4	-177.6	-159.4	22.9	0	0	0	112.7	K362	D38-K362 IonicContact OD1-NZ 2.7Å; D38-K362 PolarHBondContact OD1-NZ 2.84Å
39	I	77.7	Confident	65.8	Low	8 Å²	8	69.2 Å²	69.2	4%	0.041	36%	0.362	C	S	.	.			trans	-69.1	133.7	172.7	-64.6	164.3	0	0	0	108	Q36 D37 F41 L43 M44	Q36-I39 HydrophobicContact CB-CD1 4.4Å; Q36-I39 HydrophobicContact CB-CG1 3.94Å; Q36-I39 WeakPolarHBondContact O-CD1 3.32Å; Q36-I39 WeakPolarHBondContact O-CG1 3.37Å; D37-I39 VanDerWaalsContact C-N 3.29Å; D37-I39 PolarHBondContact O-N 3.12Å; I39-F41 PolarHBondContact O-N 3.13Å; I39-L43 HydrophobicContact CG2-CB 3.61Å; I39-M44 HydrophobicContact CG2-CB 4.39Å
40	P	81.8	Confident	68.7	Low	59 Å²	59	65.4 Å²	65.4	38%	0.383	34%	0.341	S	S	.	.			trans	-51.4	135.5	170.2	-28.1	34.3	0	0	0	111.5	H42 L43 M44	P40-H42 WeakPolarHBondContact CB-CE1 3.47Å; P40-H42 PolarHBondContact O-N 2.78Å; P40-L43 HydrophobicContact CB-CD1 4.38Å; P40-L43 HydrophobicContact CB-CG 4.37Å; P40-L43 HydrophobicContact CG-CD1 4.12Å; P40-L43 PolarHBondContact O-N 3.28Å; P40-M44 PolarHBondContact O-N 3.22Å; P40-M44 VanDerWaalsContact O-N 3.1Å
41	F	78.5	Confident	71.5	Confident	26 Å²	26	66.7 Å²	66.7	11%	0.114	34%	0.337	C	S	.	.	H	α-helix	trans	-52.7	-37.7	-171.9	-178.6	-105.3	0	0	0	113.8	I39 M44 V45 A138 L139 L142 E361	I39-F41 PolarHBondContact O-N 3.13Å; F41-M44 HydrophobicContact CD2-CE 3.52Å; F41-M44 HydrophobicContact CE2-CE 3.53Å; F41-M44 WeakPolarHBondContact O-CB 3.45Å; F41-M44 PolarHBondContact O-N 3.45Å; F41-V45 HydrophobicContact CD1-CG2 4.45Å; F41-V45 HydrophobicContact CE1-CG2 4.01Å; F41-V45 HydrophobicContact CE2-CG2 4.44Å; F41-V45 HydrophobicContact CZ-CG2 4.03Å; F41-V45 WeakPolarHBondContact O-CG2 3.31Å; F41-V45 PolarHBondContact O-N 2.95Å; F41-V45 VanDerWaalsContact O-N 3.09Å; F41-A138 HydrophobicContact CD1-CB 3.62Å; F41-A138 HydrophobicContact CE1-CB 3.78Å; F41-L139 HydrophobicContact CE1-CD2 3.51Å; F41-L139 HydrophobicContact CE1-CG 3.74Å; F41-L139 HydrophobicContact CZ-CD2 3.78Å; F41-L142 HydrophobicContact CE1-CD1 3.97Å; F41-L142 HydrophobicContact CE2-CD1 4.48Å; F41-L142 HydrophobicContact CZ-CD1 3.46Å; F41-L142 VanDerWaalsContact CZ-CD1 3.46Å; F41-E361 HydrophobicContact CD2-CG 4.47Å; F41-E361 HydrophobicContact CE2-CB 4.46Å
42	H	81	Confident	74.5	Confident	54 Å²	54	61.9 Å²	61.9	25%	0.25	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-41.9	177.3	67	-81.8	0	0	0	113.6	P40 M44 V45 E46 E134 A138	P40-H42 WeakPolarHBondContact CB-CE1 3.47Å; P40-H42 PolarHBondContact O-N 2.78Å; H42-M44 VanDerWaalsContact C-N 3.29Å; H42-M44 PolarHBondContact O-N 3.35Å; H42-V45 PolarHBondContact O-N 2.77Å; H42-E46 WeakPolarHBondContact O-CG 3.4Å; H42-E46 PolarHBondContact O-N 3.48Å; H42-E134 HydrophobicContact CB-CB 4.22Å; H42-E134 WeakPolarHBondContact CB-O 3.42Å; H42-A138 VanDerWaalsContact CA-CB 3.47Å; H42-A138 HydrophobicContact CB-CB 3.73Å
43	L	85.9	Confident	77.4	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.188	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-32.4	175.6	-61.7	-178	0	0	0	111.6	Y32 I39 P40 E46 G47	Y32-L43 HydrophobicContact CD2-CD1 4.03Å; Y32-L43 HydrophobicContact CE2-CD1 4.43Å; Y32-L43 HydrophobicContact CG-CD1 4.43Å; I39-L43 HydrophobicContact CG2-CB 3.61Å; P40-L43 HydrophobicContact CB-CD1 4.38Å; P40-L43 HydrophobicContact CB-CG 4.37Å; P40-L43 HydrophobicContact CG-CD1 4.12Å; P40-L43 PolarHBondContact O-N 3.28Å; L43-E46 PolarHBondContact O-N 2.96Å; L43-G47 PolarHBondContact O-N 3.31Å
44	M	83.7	Confident	80	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-47.3	173.8	-174.3	-178.6	77.6	0	0	111.4	I39 P40 F41 H42 E46 G47 F48 P387	I39-M44 HydrophobicContact CG2-CB 4.39Å; P40-M44 PolarHBondContact O-N 3.22Å; P40-M44 VanDerWaalsContact O-N 3.1Å; F41-M44 HydrophobicContact CD2-CE 3.52Å; F41-M44 HydrophobicContact CE2-CE 3.53Å; F41-M44 WeakPolarHBondContact O-CB 3.45Å; F41-M44 PolarHBondContact O-N 3.45Å; H42-M44 VanDerWaalsContact C-N 3.29Å; H42-M44 PolarHBondContact O-N 3.35Å; M44-E46 VanDerWaalsContact C-N 3.35Å; M44-E46 PolarHBondContact O-N 3.21Å; M44-G47 PolarHBondContact O-N 3Å; M44-F48 HydrophobicContact CE-CE2 4.14Å; M44-F48 HydrophobicContact CG-CD2 4.3Å; M44-F48 HydrophobicContact CG-CE2 3.68Å; M44-F48 HydrophobicContact CG-CZ 4.1Å; M44-F48 WeakPolarHBondContact O-CD2 3.2Å; M44-F48 PolarHBondContact O-N 3.06Å; M44-F48 HydrophobicContact SD-CE2 4.23Å; M44-P387 HydrophobicContact CG-CG 3.78Å; M44-P387 HydrophobicContact SD-CG 4.44Å
45	V	83.4	Confident	82.1	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-41.6	177.3	175.6	0	0	0	0	111.4	F41 H42 F48 Y49 A138 A141 L142	F41-V45 HydrophobicContact CD1-CG2 4.45Å; F41-V45 HydrophobicContact CE1-CG2 4.01Å; F41-V45 HydrophobicContact CE2-CG2 4.44Å; F41-V45 HydrophobicContact CZ-CG2 4.03Å; F41-V45 WeakPolarHBondContact O-CG2 3.31Å; F41-V45 PolarHBondContact O-N 2.95Å; F41-V45 VanDerWaalsContact O-N 3.09Å; H42-V45 PolarHBondContact O-N 2.77Å; V45-F48 PolarHBondContact O-N 3.08Å; V45-Y49 PolarHBondContact O-N 3.42Å; V45-A138 HydrophobicContact CB-CB 4.4Å; V45-A138 HydrophobicContact CG2-CB 4.14Å; V45-A141 HydrophobicContact CG1-CB 4.21Å; V45-L142 HydrophobicContact CG1-CD2 4.2Å; V45-L142 HydrophobicContact CG1-CG 3.95Å; V45-L142 HydrophobicContact CG2-CD1 3.72Å; V45-L142 HydrophobicContact CG2-CD2 4.22Å; V45-L142 HydrophobicContact CG2-CG 3.82Å
46	E	86.5	Confident	84.3	Confident	63 Å²	63	55.5 Å²	55.5	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-40.8	174.5	-73.5	-171.8	-160.3	0	0	112.5	H42 L43 M44 F48 Y49 D50 R85	H42-E46 WeakPolarHBondContact O-CG 3.4Å; H42-E46 PolarHBondContact O-N 3.48Å; L43-E46 PolarHBondContact O-N 2.96Å; M44-E46 VanDerWaalsContact C-N 3.35Å; M44-E46 PolarHBondContact O-N 3.21Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 3.1Å; E46-Y49 WeakPolarHBondContact O-CB 3.43Å; E46-Y49 PolarHBondContact O-N 3.13Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; E46-D50 PolarHBondContact O-N 3.04Å; E46-R85 IonicContact OE2-CZ 2.68Å; E46-R85 IonicContact OE2-NE 3.54Å; E46-R85 IonicContact OE2-NH2 2.76Å; E46-R85 PolarHBondContact OE2-NH2 3.24Å
47	G	87.4	Confident	85.9	Confident	18 Å²	18	51.8 Å²	51.8	19%	0.186	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-39.7	175.6	0	0	0	0	0	112.7	L43 M44 D50 K51	L43-G47 PolarHBondContact O-N 3.31Å; M44-G47 PolarHBondContact O-N 3Å; G47-D50 PolarHBondContact O-N 3.25Å; G47-K51 WeakPolarHBondContact O-CB 3.31Å; G47-K51 PolarHBondContact O-N 2.76Å
48	F	86.8	Confident	87	Confident	80 Å²	80	55.7 Å²	55.7	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-41.2	172.7	-67.4	-44.8	0	0	0	112.2	M44 V45 E46 A52 P387	M44-F48 HydrophobicContact CE-CE2 4.14Å; M44-F48 HydrophobicContact CG-CD2 4.3Å; M44-F48 HydrophobicContact CG-CE2 3.68Å; M44-F48 HydrophobicContact CG-CZ 4.1Å; M44-F48 WeakPolarHBondContact O-CD2 3.2Å; M44-F48 PolarHBondContact O-N 3.06Å; M44-F48 HydrophobicContact SD-CE2 4.23Å; V45-F48 PolarHBondContact O-N 3.08Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 3.1Å; F48-A52 WeakPolarHBondContact O-CB 3.4Å; F48-A52 PolarHBondContact O-N 2.88Å; F48-P387 HydrophobicContact CE1-CB 4.08Å; F48-P387 HydrophobicContact CE1-CG 3.81Å; F48-P387 HydrophobicContact CZ-CB 4.4Å; F48-P387 HydrophobicContact CZ-CG 3.74Å
49	Y	91.3	Very high	88	Confident	24 Å²	24	53.5 Å²	53.5	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.9	-179.2	-94.4	0	0	0	112.2	V45 E46 A52 S53 L81 I84 R85 Y145	V45-Y49 PolarHBondContact O-N 3.42Å; E46-Y49 WeakPolarHBondContact O-CB 3.43Å; E46-Y49 PolarHBondContact O-N 3.13Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; Y49-A52 PolarHBondContact O-N 3.32Å; Y49-S53 WeakPolarHBondContact CD1-OG 3.32Å; Y49-S53 WeakPolarHBondContact CE1-OG 3.47Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.25Å; Y49-S53 PolarHBondContact O-N 2.93Å; Y49-S53 PolarHBondContact O-OG 3.39Å; Y49-L81 WeakPolarHBondContact OH-CA 3.4Å; Y49-L81 PolarHBondContact OH-O 3.46Å; Y49-I84 HydrophobicContact CE2-CG2 3.95Å; Y49-I84 WeakPolarHBondContact OH-CB 3.45Å; Y49-R85 HydrophobicContact CD1-CB 4.13Å; Y49-R85 HydrophobicContact CD1-CG 4.02Å; Y49-R85 HydrophobicContact CE1-CB 3.66Å; Y49-R85 HydrophobicContact CE1-CG 4.06Å; Y49-Y145 AromaticContact CD2-CE1 3.96Å; Y49-Y145 HydrophobicContact CD2-CE1 3.96Å; Y49-Y145 HydrophobicContact CD2-CE2 4.19Å; Y49-Y145 AromaticContact CD2-CZ 3.53Å; Y49-Y145 WeakPolarHBondContact CD2-OH 3.29Å; Y49-Y145 HydrophobicContact CE2-CE1 4.04Å; Y49-Y145 AromaticContact CE2-CZ 3.98Å
50	D	91.3	Very high	88.7	Confident	61 Å²	61	53.8 Å²	53.8	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-43.6	-179	-74.6	-17.2	0	0	0	111.1	E46 G47 A52 S53 A54 R85	E46-D50 PolarHBondContact O-N 3.04Å; G47-D50 PolarHBondContact O-N 3.25Å; D50-A52 PolarHBondContact O-N 3.13Å; D50-S53 PolarHBondContact O-N 3.14Å; D50-A54 WeakPolarHBondContact O-CB 3.44Å; D50-A54 PolarHBondContact O-N 2.81Å; D50-R85 IonicContact OD1-CZ 3.4Å; D50-R85 IonicContact OD1-NH1 3.85Å; D50-R85 PolarHBondContact OD1-NH1 3.18Å; D50-R85 IonicContact OD1-NH2 3.2Å; D50-R85 IonicContact OD2-CZ 2.96Å; D50-R85 VanDerWaalsContact OD2-CZ 3.31Å; D50-R85 IonicContact OD2-NH1 2.75Å; D50-R85 PolarHBondContact OD2-NH1 3.04Å; D50-R85 IonicContact OD2-NH2 3.28Å; D50-R85 PolarHBondContact OD2-NH2 2.75Å
51	K	89.9	Confident	89.2	Confident	116 Å²	116	51.5 Å²	51.5	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-46.6	173.4	-173.9	-179.9	-179.4	-176.4	0	111.6	G47 L55	G47-K51 WeakPolarHBondContact O-CB 3.31Å; G47-K51 PolarHBondContact O-N 2.76Å; K51-L55 HydrophobicContact CG-CD1 4.37Å; K51-L55 VanDerWaalsContact O-CG 3.31Å; K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 2.89Å
52	A	91.8	Very high	89.8	Confident	50 Å²	50	54.5 Å²	54.5	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-44.3	179.1	0	0	0	0	0	111.7	F48 Y49 D50 A54 L55 V56	F48-A52 WeakPolarHBondContact O-CB 3.4Å; F48-A52 PolarHBondContact O-N 2.88Å; Y49-A52 PolarHBondContact O-N 3.32Å; D50-A52 PolarHBondContact O-N 3.13Å; A52-A54 PolarHBondContact O-N 2.79Å; A52-L55 PolarHBondContact O-N 2.98Å; A52-V56 WeakPolarHBondContact O-CG2 3.34Å; A52-V56 PolarHBondContact O-N 2.85Å; A52-V56 VanDerWaalsContact O-N 3.13Å
53	S	92.8	Very high	90.4	Very high	14 Å²	14	57.7 Å²	57.7	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-46.3	179.4	-65	0	0	0	0	111.4	Y49 D50 L55 V56 E57	Y49-S53 WeakPolarHBondContact CD1-OG 3.32Å; Y49-S53 WeakPolarHBondContact CE1-OG 3.47Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.25Å; Y49-S53 PolarHBondContact O-N 2.93Å; Y49-S53 PolarHBondContact O-OG 3.39Å; D50-S53 PolarHBondContact O-N 3.14Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.4Å; S53-V56 PolarHBondContact O-N 2.94Å; S53-E57 WeakPolarHBondContact O-CB 3.34Å; S53-E57 PolarHBondContact O-N 2.89Å
54	A	92.2	Very high	90.6	Very high	69 Å²	69	56.1 Å²	56.1	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-61.4	-39.7	176.7	0	0	0	0	0	112.6	D50 A52	D50-A54 WeakPolarHBondContact O-CB 3.44Å; D50-A54 PolarHBondContact O-N 2.81Å; A52-A54 PolarHBondContact O-N 2.79Å
55	L	93.3	Very high	90.8	Very high	135 Å²	135	64.1 Å²	64.1	71%	0.707	34%	0.343	S	S	*	.	H	α-helix	trans	-66.7	-36	179.6	-74	169.3	0	0	0	113.1	K51 A52 S53	K51-L55 HydrophobicContact CG-CD1 4.37Å; K51-L55 VanDerWaalsContact O-CG 3.31Å; K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 2.98Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.4Å
56	V	93.6	Very high	90.9	Very high	54 Å²	54	65.4 Å²	65.4	33%	0.327	35%	0.353	S	S	.	.	H	α-helix	trans	-95.9	-14.3	-175.4	-57.7	0	0	0	0	113.6	A52 S53 Q58 N59 L60	A52-V56 WeakPolarHBondContact O-CG2 3.34Å; A52-V56 PolarHBondContact O-N 2.85Å; A52-V56 VanDerWaalsContact O-N 3.13Å; S53-V56 PolarHBondContact O-N 2.94Å; V56-Q58 PolarHBondContact O-N 2.7Å; V56-N59 WeakPolarHBondContact O-CB 3.29Å; V56-N59 PolarHBondContact O-N 3.3Å; V56-N59 VanDerWaalsContact O-N 3.07Å; V56-L60 HydrophobicContact CB-CD1 4.35Å; V56-L60 HydrophobicContact CB-CG 4.37Å; V56-L60 HydrophobicContact CG2-CD1 3.7Å; V56-L60 HydrophobicContact CG2-CG 4.26Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 2.87Å
57	E	92.9	Very high	91	Very high	37 Å²	37	73 Å²	73	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-49.5	-54.3	-173.1	-177	178.5	120.3	0	0	112.8	S53 N59 L60 I61 V77 K78	S53-E57 WeakPolarHBondContact O-CB 3.34Å; S53-E57 PolarHBondContact O-N 2.89Å; E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.32Å; E57-L60 WeakPolarHBondContact O-CB 3.4Å; E57-L60 PolarHBondContact O-N 2.76Å; E57-L60 VanDerWaalsContact O-N 3.14Å; E57-I61 HydrophobicContact CG-CD1 3.89Å; E57-I61 WeakPolarHBondContact O-CG1 3.35Å; E57-I61 PolarHBondContact O-N 2.84Å; E57-V77 HydrophobicContact CG-CG1 4.33Å; E57-K78 WeakPolarHBondContact OE1-CE 3.36Å; E57-K78 IonicContact OE1-NZ 3.78Å; E57-K78 PolarHBondContact OE1-NZ 3.39Å; E57-K78 WeakPolarHBondContact OE2-CE 3.3Å; E57-K78 IonicContact OE2-NZ 2.87Å
58	Q	92.1	Very high	90.9	Very high	126 Å²	126	73 Å²	73	59%	0.589	38%	0.383	S	S	*	.	H	α-helix	trans	-65.4	-36.4	-178.3	-66	-59.8	-31.4	0	0	112.7	V56 L60 I61 S62	V56-Q58 PolarHBondContact O-N 2.7Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-I61 PolarHBondContact O-N 2.75Å; Q58-S62 PolarHBondContact O-N 3.15Å; Q58-S62 PolarHBondContact O-OG 3.46Å
59	N	93.8	Very high	91.1	Very high	80 Å²	80	73.3 Å²	73.3	43%	0.428	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-36.3	175.2	-167.4	-0.2	0	0	0	111.2	V56 E57 S62 K63	V56-N59 WeakPolarHBondContact O-CB 3.29Å; V56-N59 PolarHBondContact O-N 3.3Å; V56-N59 VanDerWaalsContact O-N 3.07Å; E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.32Å; N59-S62 WeakPolarHBondContact CA-OG 3.35Å; N59-S62 PolarHBondContact O-OG 3.1Å; N59-K63 VanDerWaalsContact O-CB 3.31Å; N59-K63 WeakPolarHBondContact O-CB 3.43Å; N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.06Å; N59-K63 PolarHBondContact O-N 3.3Å; N59-K63 VanDerWaalsContact O-N 3.11Å; N59-K63 WeakPolarHBondContact OD1-CD 3.49Å; N59-K63 WeakPolarHBondContact OD1-CE 3.26Å; N59-K63 PolarHBondContact OD1-NZ 2.87Å
60	L	93.8	Very high	90.9	Very high	14 Å²	14	77.6 Å²	77.6	7%	0.073	42%	0.418	C	S	.	.	H	α-helix	trans	-70.6	-41.1	176	-67.6	173.6	0	0	0	111.9	L2 M3 L6 V56 E57 Q58 K63 L64 V77 L81	L2-L60 HydrophobicContact CB-CD1 4.47Å; L2-L60 HydrophobicContact CB-CD2 3.83Å; L2-L60 HydrophobicContact CD1-CD1 4.23Å; L2-L60 HydrophobicContact CD2-CD1 3.85Å; L2-L60 HydrophobicContact CG-CD1 4.4Å; M3-L60 HydrophobicContact SD-CD2 4.35Å; L6-L60 HydrophobicContact CD1-CD2 4.4Å; V56-L60 HydrophobicContact CB-CD1 4.35Å; V56-L60 HydrophobicContact CB-CG 4.37Å; V56-L60 HydrophobicContact CG2-CD1 3.7Å; V56-L60 HydrophobicContact CG2-CG 4.26Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 2.87Å; E57-L60 WeakPolarHBondContact O-CB 3.4Å; E57-L60 PolarHBondContact O-N 2.76Å; E57-L60 VanDerWaalsContact O-N 3.14Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; L60-K63 PolarHBondContact O-N 3.44Å; L60-L64 PolarHBondContact O-N 2.75Å; L60-V77 HydrophobicContact CB-CG1 3.76Å; L60-V77 HydrophobicContact CB-CG2 4.18Å; L60-V77 HydrophobicContact CD1-CG1 4.09Å; L60-L81 HydrophobicContact CD1-CD1 4.38Å; L60-L81 HydrophobicContact CD1-CD2 4.29Å
61	I	92.2	Very high	90.9	Very high	12 Å²	12	79.8 Å²	79.8	6%	0.062	43%	0.429	C	S	.	.	H	α-helix	trans	-61.3	-49	177.1	-67.1	164.2	0	0	0	110.3	E57 Q58 K63 L64 K73 T74 V77	E57-I61 HydrophobicContact CG-CD1 3.89Å; E57-I61 WeakPolarHBondContact O-CG1 3.35Å; E57-I61 PolarHBondContact O-N 2.84Å; Q58-I61 PolarHBondContact O-N 2.75Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 2.89Å; I61-L64 WeakPolarHBondContact O-CB 3.34Å; I61-L64 PolarHBondContact O-N 3.32Å; I61-K73 HydrophobicContact CG2-CB 4.1Å; I61-T74 HydrophobicContact CD1-CG2 4Å; I61-V77 HydrophobicContact CG1-CB 3.91Å; I61-V77 HydrophobicContact CG1-CG1 4.13Å; I61-V77 HydrophobicContact CG1-CG2 3.82Å
62	S	91	Very high	91.1	Very high	89 Å²	89	79 Å²	79	62%	0.622	43%	0.428	S	S	*	.	H	α-helix	trans	-64.8	-36.2	-179.6	54.7	0	0	0	0	112.8	Q58 N59 L64	Q58-S62 PolarHBondContact O-N 3.15Å; Q58-S62 PolarHBondContact O-OG 3.46Å; N59-S62 WeakPolarHBondContact CA-OG 3.35Å; N59-S62 PolarHBondContact O-OG 3.1Å; S62-L64 VanDerWaalsContact C-N 3.34Å
63	K	91.8	Very high	91.1	Very high	120 Å²	120	78.2 Å²	78.2	52%	0.522	42%	0.415	S	S	.	.	H	α-helix	trans	-77.2	-16.9	177.7	-73.9	-178.3	174.7	174.3	0	114	M3 N59 L60 I61 Q65	M3-K63 HydrophobicContact CE-CB 3.66Å; M3-K63 WeakPolarHBondContact CE-O 3.29Å; M3-K63 HydrophobicContact SD-CB 3.82Å; N59-K63 VanDerWaalsContact O-CB 3.31Å; N59-K63 WeakPolarHBondContact O-CB 3.43Å; N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.06Å; N59-K63 PolarHBondContact O-N 3.3Å; N59-K63 VanDerWaalsContact O-N 3.11Å; N59-K63 WeakPolarHBondContact OD1-CD 3.49Å; N59-K63 WeakPolarHBondContact OD1-CE 3.26Å; N59-K63 PolarHBondContact OD1-NZ 2.87Å; L60-K63 PolarHBondContact O-N 3.44Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 2.89Å; K63-Q65 PolarHBondContact O-N 3.4Å
64	L	90.7	Very high	91.2	Very high	3 Å²	3	79.2 Å²	79.2	2%	0.016	42%	0.42	C	S	.	.			trans	-63.6	109.2	-176.7	-166.8	64.7	0	0	0	110.9	L6 I10 L60 I61 S62 S66 K73 I76 V77	L6-L64 HydrophobicContact CB-CD1 3.99Å; L6-L64 HydrophobicContact CD1-CD1 4.2Å; L6-L64 HydrophobicContact CD2-CD1 3.95Å; L6-L64 HydrophobicContact CG-CD1 4.27Å; I10-L64 HydrophobicContact CD1-CD1 3.77Å; I10-L64 HydrophobicContact CD1-CG 4.45Å; L60-L64 PolarHBondContact O-N 2.75Å; I61-L64 WeakPolarHBondContact O-CB 3.34Å; I61-L64 PolarHBondContact O-N 3.32Å; S62-L64 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.5Å; L64-K73 HydrophobicContact CD2-CB 3.95Å; L64-K73 HydrophobicContact CD2-CG 4.04Å; L64-K73 PolarHBondContact O-NZ 3.38Å; L64-I76 HydrophobicContact CD2-CB 4.31Å; L64-I76 HydrophobicContact CD2-CD1 4.5Å; L64-I76 HydrophobicContact CD2-CG2 4.1Å; L64-V77 HydrophobicContact CD2-CG2 4.29Å
65	Q	87.6	Confident	91.3	Very high	174 Å²	174	82.5 Å²	82.5	81%	0.813	42%	0.422	S	S	*	.			trans	-75.5	72.1	176.3	-67.5	-174.3	-12.4	0	0	110.3	K63	K63-Q65 PolarHBondContact O-N 3.4Å
66	S	86.8	Confident	91.4	Very high	35 Å²	35	78.3 Å²	78.3	25%	0.245	40%	0.4	C	S	.	.			trans	-130.5	144.2	175.5	179.2	0	0	0	0	110.1	L64 A68 K73	L64-S66 PolarHBondContact O-N 3.5Å; S66-A68 VanDerWaalsContact OG-CB 3.23Å; S66-A68 WeakPolarHBondContact OG-CB 3.41Å; S66-A68 PolarHBondContact OG-N 3.44Å; S66-A68 VanDerWaalsContact OG-N 3.09Å; S66-K73 WeakPolarHBondContact O-CE 3.39Å; S66-K73 PolarHBondContact O-NZ 3.13Å; S66-K73 VanDerWaalsContact O-NZ 3.13Å
67	K	87.2	Confident	91.5	Very high	222 Å²	222	75.8 Å²	75.8	97%	0.965	38%	0.384	S	S	*	.			trans	-77.7	-6	170.3	-66.4	-173.9	178.9	-178.3	0	112.6
68	A	87	Confident	91.6	Very high	18 Å²	18	78.6 Å²	78.6	15%	0.149	40%	0.396	C	S	.	.	S	Bend	trans	-61.5	147.4	178.9	0	0	0	0	0	111.3	S66 E72 K73	S66-A68 VanDerWaalsContact OG-CB 3.23Å; S66-A68 WeakPolarHBondContact OG-CB 3.41Å; S66-A68 PolarHBondContact OG-N 3.44Å; S66-A68 VanDerWaalsContact OG-N 3.09Å; A68-E72 HydrophobicContact CB-CB 4.05Å; A68-E72 HydrophobicContact CB-CG 4.05Å; A68-K73 HydrophobicContact CB-CG 4.43Å; A68-K73 WeakPolarHBondContact O-CE 3.46Å
69	P	89.6	Confident	91.7	Very high	87 Å²	87	73.9 Å²	73.9	57%	0.565	38%	0.382	S	S	*	.			trans	-60.8	154.5	174.1	24.4	-32.3	0	0	0	111.8	N71 E72 K73	P69-N71 PolarHBondContact O-N 2.97Å; P69-N71 VanDerWaalsContact O-N 3.12Å; P69-E72 HydrophobicContact CG-CB 4.14Å; P69-E72 WeakPolarHBondContact O-CA 3.5Å; P69-E72 WeakPolarHBondContact O-CB 3.05Å; P69-E72 PolarHBondContact O-N 3.36Å; P69-K73 PolarHBondContact O-N 2.94Å
70	D	87.9	Confident	91.7	Very high	113 Å²	113	70.4 Å²	70.4	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-57.9	-32.8	-171.4	-69	-20.7	0	0	0	114.3	E72 K73 T74	D70-E72 VanDerWaalsContact C-N 3.33Å; D70-E72 PolarHBondContact O-N 3Å; D70-K73 PolarHBondContact O-N 3.01Å; D70-T74 WeakPolarHBondContact O-CB 3.39Å; D70-T74 PolarHBondContact O-N 2.87Å; D70-T74 PolarHBondContact O-OG1 3.25Å
71	N	91.8	Very high	91.8	Very high	107 Å²	107	70.1 Å²	70.1	57%	0.572	36%	0.362	S	S	*	.	H	α-helix	trans	-62.5	-41.3	173.7	-173.4	6.5	0	0	0	111.5	P69 T74 K75	P69-N71 PolarHBondContact O-N 2.97Å; P69-N71 VanDerWaalsContact O-N 3.12Å; N71-T74 WeakPolarHBondContact O-CB 3.21Å; N71-T74 PolarHBondContact O-N 3.12Å; N71-K75 WeakPolarHBondContact O-CG 3.32Å; N71-K75 PolarHBondContact O-N 3.09Å
72	E	93	Very high	91.9	Very high	100 Å²	100	74.7 Å²	74.7	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-71.4	-39.9	177.6	-172	173.7	-177.2	0	0	111.4	A68 P69 D70 T74 K75 I76	A68-E72 HydrophobicContact CB-CB 4.05Å; A68-E72 HydrophobicContact CB-CG 4.05Å; P69-E72 HydrophobicContact CG-CB 4.14Å; P69-E72 WeakPolarHBondContact O-CA 3.5Å; P69-E72 WeakPolarHBondContact O-CB 3.05Å; P69-E72 PolarHBondContact O-N 3.36Å; D70-E72 VanDerWaalsContact C-N 3.33Å; D70-E72 PolarHBondContact O-N 3Å; E72-T74 VanDerWaalsContact C-N 3.28Å; E72-T74 PolarHBondContact O-N 3.4Å; E72-K75 PolarHBondContact O-N 3.24Å; E72-K75 VanDerWaalsContact O-N 3.16Å; E72-I76 HydrophobicContact CG-CD1 4.18Å; E72-I76 VanDerWaalsContact O-CG1 3.3Å; E72-I76 WeakPolarHBondContact O-CG1 3.46Å; E72-I76 PolarHBondContact O-N 3.41Å
73	K	92.9	Very high	92.1	Very high	33 Å²	33	75.4 Å²	75.4	14%	0.143	38%	0.382	C	S	.	.	H	α-helix	trans	-56.2	-44.4	170.7	-64.2	-172.7	178.5	-178.8	0	111.7	I61 L64 S66 A68 P69 D70 K75 I76 V77	I61-K73 HydrophobicContact CG2-CB 4.1Å; L64-K73 HydrophobicContact CD2-CB 3.95Å; L64-K73 HydrophobicContact CD2-CG 4.04Å; L64-K73 PolarHBondContact O-NZ 3.38Å; S66-K73 WeakPolarHBondContact O-CE 3.39Å; S66-K73 PolarHBondContact O-NZ 3.13Å; S66-K73 VanDerWaalsContact O-NZ 3.13Å; A68-K73 HydrophobicContact CB-CG 4.43Å; A68-K73 WeakPolarHBondContact O-CE 3.46Å; P69-K73 PolarHBondContact O-N 2.94Å; D70-K73 PolarHBondContact O-N 3.01Å; K73-K75 PolarHBondContact O-N 2.81Å; K73-I76 PolarHBondContact O-N 3.27Å; K73-V77 WeakPolarHBondContact O-CG2 3.26Å; K73-V77 PolarHBondContact O-N 3.35Å
74	T	93.8	Very high	92.2	Very high	35 Å²	35	70.7 Å²	70.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-46.6	176.4	-58.2	0	0	0	0	111.2	I61 D70 N71 E72 I76 V77 K78	I61-T74 HydrophobicContact CD1-CG2 4Å; D70-T74 WeakPolarHBondContact O-CB 3.39Å; D70-T74 PolarHBondContact O-N 2.87Å; D70-T74 PolarHBondContact O-OG1 3.25Å; N71-T74 WeakPolarHBondContact O-CB 3.21Å; N71-T74 PolarHBondContact O-N 3.12Å; E72-T74 VanDerWaalsContact C-N 3.28Å; E72-T74 PolarHBondContact O-N 3.4Å; T74-I76 PolarHBondContact O-N 2.9Å; T74-V77 PolarHBondContact O-N 3.07Å; T74-K78 HydrophobicContact CG2-CD 4.11Å; T74-K78 HydrophobicContact CG2-CG 4.44Å; T74-K78 WeakPolarHBondContact O-CB 3.42Å; T74-K78 WeakPolarHBondContact O-CG 3.38Å; T74-K78 PolarHBondContact O-N 3.45Å
75	K	94.9	Very high	92.3	Very high	139 Å²	139	74 Å²	74	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-61.3	-42.5	176.1	-71.6	175	-175.8	-179.8	0	112.2	N71 E72 K73 G79	N71-K75 WeakPolarHBondContact O-CG 3.32Å; N71-K75 PolarHBondContact O-N 3.09Å; E72-K75 PolarHBondContact O-N 3.24Å; E72-K75 VanDerWaalsContact O-N 3.16Å; K73-K75 PolarHBondContact O-N 2.81Å; K75-G79 WeakPolarHBondContact O-CA 3.33Å; K75-G79 PolarHBondContact O-N 3.42Å
76	I	94.3	Very high	92.6	Very high	47 Å²	47	69 Å²	69	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-48	177.4	-68.4	165.3	0	0	0	110.4	L6 L64 E72 K73 T74 G79 T80	L6-I76 HydrophobicContact CD2-CG2 3.77Å; L64-I76 HydrophobicContact CD2-CB 4.31Å; L64-I76 HydrophobicContact CD2-CD1 4.5Å; L64-I76 HydrophobicContact CD2-CG2 4.1Å; E72-I76 HydrophobicContact CG-CD1 4.18Å; E72-I76 VanDerWaalsContact O-CG1 3.3Å; E72-I76 WeakPolarHBondContact O-CG1 3.46Å; E72-I76 PolarHBondContact O-N 3.41Å; K73-I76 PolarHBondContact O-N 3.27Å; T74-I76 PolarHBondContact O-N 2.9Å; I76-G79 PolarHBondContact O-N 3.22Å; I76-T80 VanDerWaalsContact O-CB 3.32Å; I76-T80 WeakPolarHBondContact O-CB 3.2Å; I76-T80 PolarHBondContact O-N 3.02Å; I76-T80 PolarHBondContact O-OG1 3.14Å
77	V	95.4	Very high	92.9	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-50.9	-179.8	170.8	0	0	0	0	111	L6 E57 L60 I61 L64 K73 T74 G79 T80 L81	L6-V77 HydrophobicContact CD1-CG2 4.48Å; L6-V77 HydrophobicContact CD2-CG2 4.28Å; E57-V77 HydrophobicContact CG-CG1 4.33Å; L60-V77 HydrophobicContact CB-CG1 3.76Å; L60-V77 HydrophobicContact CB-CG2 4.18Å; L60-V77 HydrophobicContact CD1-CG1 4.09Å; I61-V77 HydrophobicContact CG1-CB 3.91Å; I61-V77 HydrophobicContact CG1-CG1 4.13Å; I61-V77 HydrophobicContact CG1-CG2 3.82Å; L64-V77 HydrophobicContact CD2-CG2 4.29Å; K73-V77 WeakPolarHBondContact O-CG2 3.26Å; K73-V77 PolarHBondContact O-N 3.35Å; T74-V77 PolarHBondContact O-N 3.07Å; V77-G79 PolarHBondContact O-N 3.3Å; V77-T80 PolarHBondContact O-N 2.87Å; V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.21Å
78	K	95.1	Very high	93.4	Very high	95 Å²	95	61.2 Å²	61.2	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-43.7	177.5	-73.3	-173.1	174.4	-176.4	0	112.1	E57 T74 T80 L81 N82	E57-K78 WeakPolarHBondContact OE1-CE 3.36Å; E57-K78 IonicContact OE1-NZ 3.78Å; E57-K78 PolarHBondContact OE1-NZ 3.39Å; E57-K78 WeakPolarHBondContact OE2-CE 3.3Å; E57-K78 IonicContact OE2-NZ 2.87Å; T74-K78 HydrophobicContact CG2-CD 4.11Å; T74-K78 HydrophobicContact CG2-CG 4.44Å; T74-K78 WeakPolarHBondContact O-CB 3.42Å; T74-K78 WeakPolarHBondContact O-CG 3.38Å; T74-K78 PolarHBondContact O-N 3.45Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.22Å; K78-L81 PolarHBondContact O-N 3.41Å; K78-N82 WeakPolarHBondContact O-CB 3.18Å; K78-N82 PolarHBondContact O-N 3.04Å; K78-N82 PolarHBondContact O-ND2 3.4Å
79	G	95.2	Very high	93.9	Very high	28 Å²	28	64.1 Å²	64.1	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175.6	0	0	0	0	0	112	K75 I76 V77 N82 I83	K75-G79 WeakPolarHBondContact O-CA 3.33Å; K75-G79 PolarHBondContact O-N 3.42Å; I76-G79 PolarHBondContact O-N 3.22Å; V77-G79 PolarHBondContact O-N 3.3Å; G79-N82 PolarHBondContact O-N 3.39Å; G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.25Å; G79-I83 PolarHBondContact O-N 3.02Å
80	T	94.5	Very high	94.3	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-44.7	177.2	-57.6	0	0	0	0	111.7	L6 L9 I76 V77 K78 N82 I83 I84	L6-T80 HydrophobicContact CD2-CG2 4.19Å; L6-T80 WeakPolarHBondContact CD2-OG1 3.25Å; L6-T80 HydrophobicContact CG-CG2 4.25Å; L9-T80 HydrophobicContact CD1-CG2 3.71Å; I76-T80 VanDerWaalsContact O-CB 3.32Å; I76-T80 WeakPolarHBondContact O-CB 3.2Å; I76-T80 PolarHBondContact O-N 3.02Å; I76-T80 PolarHBondContact O-OG1 3.14Å; V77-T80 PolarHBondContact O-N 2.87Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.22Å; T80-N82 VanDerWaalsContact C-N 3.29Å; T80-N82 PolarHBondContact O-N 2.94Å; T80-I83 PolarHBondContact O-N 2.94Å; T80-I83 VanDerWaalsContact O-N 3.16Å; T80-I84 HydrophobicContact CG2-CD1 4.02Å; T80-I84 WeakPolarHBondContact O-CG1 3.41Å; T80-I84 PolarHBondContact O-N 2.92Å
81	L	95.2	Very high	94.8	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-38.3	175.1	-70.2	168.2	0	0	0	111.5	L2 Y49 L60 V77 K78 I83 I84 R85	L2-L81 HydrophobicContact CD1-CD2 4.4Å; L2-L81 HydrophobicContact CD2-CD2 3.66Å; L2-L81 HydrophobicContact CD2-CG 4.48Å; Y49-L81 WeakPolarHBondContact OH-CA 3.4Å; Y49-L81 PolarHBondContact OH-O 3.46Å; L60-L81 HydrophobicContact CD1-CD1 4.38Å; L60-L81 HydrophobicContact CD1-CD2 4.29Å; V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.21Å; K78-L81 PolarHBondContact O-N 3.41Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 2.73Å; L81-I84 PolarHBondContact O-N 3.36Å; L81-R85 PolarHBondContact O-N 2.97Å
82	N	94.5	Very high	95.1	Very high	108 Å²	108	57.8 Å²	57.8	58%	0.578	29%	0.294	S	S	*	.	H	α-helix	trans	-67.7	-32	175.4	-71	-16.8	0	0	0	112.7	K78 G79 T80 P86	K78-N82 WeakPolarHBondContact O-CB 3.18Å; K78-N82 PolarHBondContact O-N 3.04Å; K78-N82 PolarHBondContact O-ND2 3.4Å; G79-N82 PolarHBondContact O-N 3.39Å; T80-N82 VanDerWaalsContact C-N 3.29Å; T80-N82 PolarHBondContact O-N 2.94Å; N82-P86 WeakPolarHBondContact O-CD 3.33Å
83	I	94.8	Very high	95.3	Very high	105 Å²	105	53.6 Å²	53.6	54%	0.538	28%	0.276	S	S	.	.	H	α-helix	trans	-72.1	-34.5	175	-70.1	163.3	0	0	0	111.5	G79 T80 L81	G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.25Å; G79-I83 PolarHBondContact O-N 3.02Å; T80-I83 PolarHBondContact O-N 2.94Å; T80-I83 VanDerWaalsContact O-N 3.16Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 2.73Å
84	I	94.8	Very high	95.5	Very high	20 Å²	20	56.4 Å²	56.4	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-71.9	-31.5	-179.6	-69.6	164.2	0	0	0	111.9	L2 L5 Y49 T80 L81 H114 Y145	L2-I84 HydrophobicContact CD2-CD1 3.66Å; L2-I84 HydrophobicContact CG-CD1 4.3Å; L5-I84 HydrophobicContact CD1-CD1 4Å; L5-I84 HydrophobicContact CD1-CG1 4.41Å; Y49-I84 HydrophobicContact CE2-CG2 3.95Å; Y49-I84 WeakPolarHBondContact OH-CB 3.45Å; T80-I84 HydrophobicContact CG2-CD1 4.02Å; T80-I84 WeakPolarHBondContact O-CG1 3.41Å; T80-I84 PolarHBondContact O-N 2.92Å; L81-I84 PolarHBondContact O-N 3.36Å; I84-H114 PolarHBondContact O-CE1 3.06Å; I84-H114 PolarHBondContact O-NE2 3.26Å; I84-H114 VanDerWaalsContact O-NE2 3.17Å; I84-Y145 HydrophobicContact CG2-CE1 4.34Å
85	R	92.4	Very high	95.7	Very high	72 Å²	72	54.8 Å²	54.8	27%	0.272	28%	0.282	S	S	.	.	S	Bend	trans	-61	-53	-171.2	179.7	-177.5	179	148.6	6.6	114.7	E46 Y49 D50 L81 H114	E46-R85 IonicContact OE2-CZ 2.68Å; E46-R85 IonicContact OE2-NE 3.54Å; E46-R85 IonicContact OE2-NH2 2.76Å; E46-R85 PolarHBondContact OE2-NH2 3.24Å; Y49-R85 HydrophobicContact CD1-CB 4.13Å; Y49-R85 HydrophobicContact CD1-CG 4.02Å; Y49-R85 HydrophobicContact CE1-CB 3.66Å; Y49-R85 HydrophobicContact CE1-CG 4.06Å; D50-R85 IonicContact OD1-CZ 3.4Å; D50-R85 IonicContact OD1-NH1 3.85Å; D50-R85 PolarHBondContact OD1-NH1 3.18Å; D50-R85 IonicContact OD1-NH2 3.2Å; D50-R85 IonicContact OD2-CZ 2.96Å; D50-R85 VanDerWaalsContact OD2-CZ 3.31Å; D50-R85 IonicContact OD2-NH1 2.75Å; D50-R85 PolarHBondContact OD2-NH1 3.04Å; D50-R85 IonicContact OD2-NH2 3.28Å; D50-R85 PolarHBondContact OD2-NH2 2.75Å; L81-R85 PolarHBondContact O-N 2.97Å; R85-H114 PolarHBondContact O-NE2 3.24Å
86	P	93.2	Very high	95.8	Very high	69 Å²	69	51.4 Å²	51.4	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-81.9	152.8	-177.1	33.2	-36	0	0	0	111.5	N82	N82-P86 WeakPolarHBondContact O-CD 3.33Å
87	P	94.5	Very high	95.8	Very high	25 Å²	25	49.5 Å²	49.5	16%	0.162	26%	0.264	C	S	.	.			trans	-66.1	139.2	171.1	28.5	-34.5	0	0	0	112	I90 H114 M137	P87-I90 HydrophobicContact CB-CG1 4.34Å; P87-I90 HydrophobicContact CG-CD1 3.81Å; P87-I90 HydrophobicContact CG-CG1 4Å; P87-H114 WeakPolarHBondContact CA-O 3.4Å; P87-H114 HydrophobicContact CB-CB 4.41Å; P87-M137 HydrophobicContact CG-CB 4.23Å; P87-M137 HydrophobicContact CG-CE 3.71Å; P87-M137 HydrophobicContact CG-CG 3.93Å; P87-M137 HydrophobicContact CG-SD 4.5Å
88	T	96.5	Very high	95.7	Very high	69 Å²	69	54.9 Å²	54.9	42%	0.423	29%	0.288	S	S	.	.	S	Bend	trans	-65.9	-43.8	-178.8	-51.7	0	0	0	0	111.7	Q113 H114 V116	T88-Q113 PolarHBondContact N-O 2.9Å; T88-H114 PolarHBondContact N-O 2.89Å; T88-H114 PolarHBondContact OG1-O 3.15Å; T88-V116 HydrophobicContact CG2-CG1 4.45Å; T88-V116 HydrophobicContact CG2-CG2 4.23Å
89	H	97.8	Very high	95.7	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.366	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.7	179.1	-46.5	115.4	0	0	0	111.2	A112 Q113 F189	H89-A112 CarbonylContact O-C 3.57Å; H89-A112 WeakPolarHBondContact O-CA 3.39Å; H89-Q113 HydrophobicContact CB-CB 4.3Å; H89-Q113 PolarHBondContact N-O 3.41Å; H89-Q113 PolarHBondContact ND1-OE1 3.04Å; H89-Q113 PolarHBondContact O-N 3.24Å; H89-F189 HydrophobicContact CB-CE1 4.05Å; H89-F189 HydrophobicContact CB-CZ 3.65Å
90	I	97.2	Very high	95.7	Very high	51 Å²	51	53.6 Å²	53.6	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.8	170.5	-57.2	158.5	0	0	0	106.9	P87 A112 R133 M137	P87-I90 HydrophobicContact CB-CG1 4.34Å; P87-I90 HydrophobicContact CG-CD1 3.81Å; P87-I90 HydrophobicContact CG-CG1 4Å; I90-A112 HydrophobicContact CG1-CB 4.1Å; I90-R133 VanDerWaalsContact CD1-NH2 3.29Å; I90-R133 HydrophobicContact CG2-CG 4.23Å; I90-M137 HydrophobicContact CD1-CE 3.92Å; I90-M137 HydrophobicContact CD1-CG 3.56Å; I90-M137 HydrophobicContact CD1-SD 3.39Å; I90-M137 WeakPolarHBondContact CD1-SD 3.16Å; I90-M137 HydrophobicContact CG1-CG 4Å; I90-M137 HydrophobicContact CG1-SD 4.44Å
91	F	98	Very high	95.7	Very high	35 Å²	35	58.6 Å²	58.6	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	173.8	177	-123.9	0	0	0	109.4	V93 F110 R111 E183 L184 Q187 F189	F91-V93 HydrophobicContact CE1-CB 3.76Å; F91-V93 HydrophobicContact CE1-CG1 4.02Å; F91-V93 HydrophobicContact CE1-CG2 4.37Å; F91-V93 HydrophobicContact CE2-CB 4.33Å; F91-V93 HydrophobicContact CZ-CB 3.63Å; F91-V93 HydrophobicContact CZ-CG1 4.39Å; F91-V93 HydrophobicContact CZ-CG2 3.98Å; F91-F110 CarbonylContact O-C 3.51Å; F91-F110 VanDerWaalsContact O-CA 3.29Å; F91-F110 WeakPolarHBondContact O-CA 3.46Å; F91-R111 PolarHBondContact N-O 3.27Å; F91-R111 PolarHBondContact O-N 2.93Å; F91-E183 HydrophobicContact CE1-CB 4.38Å; F91-L184 HydrophobicContact CD1-CD2 3.86Å; F91-L184 HydrophobicContact CE1-CD2 4.16Å; F91-Q187 HydrophobicContact CD2-CB 4.47Å; F91-Q187 HydrophobicContact CD2-CG 4.34Å; F91-Q187 HydrophobicContact CE1-CB 4.32Å; F91-Q187 HydrophobicContact CE1-CG 4.14Å; F91-Q187 HydrophobicContact CE2-CB 4.27Å; F91-Q187 HydrophobicContact CE2-CG 3.69Å; F91-Q187 HydrophobicContact CZ-CB 4.18Å; F91-Q187 HydrophobicContact CZ-CG 3.57Å; F91-F189 HydrophobicContact CB-CD1 4.19Å; F91-F189 HydrophobicContact CB-CD2 3.79Å; F91-F189 HydrophobicContact CB-CE1 3.84Å; F91-F189 HydrophobicContact CB-CE2 3.45Å; F91-F189 VanDerWaalsContact CB-CE2 3.45Å; F91-F189 HydrophobicContact CB-CG 4.15Å; F91-F189 HydrophobicContact CB-CZ 3.44Å; F91-F189 VanDerWaalsContact CB-CZ 3.44Å; F91-F189 HydrophobicContact CD1-CD2 4.28Å; F91-F189 HydrophobicContact CG-CD2 4.14Å; F91-F189 HydrophobicContact CG-CE2 4.1Å
92	E	98.2	Very high	95.7	Very high	88 Å²	88	59.8 Å²	59.8	41%	0.411	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135	170.9	177.9	175.3	169.6	0	0	108	Q108 G109 F110	E92-Q108 PolarHBondContact OE1-NE2 3.06Å; E92-G109 WeakPolarHBondContact CA-O 3.43Å; E92-F110 HydrophobicContact CB-CD1 3.87Å; E92-F110 HydrophobicContact CB-CE1 3.95Å; E92-F110 HydrophobicContact CG-CD1 3.81Å; E92-F110 HydrophobicContact CG-CE1 3.45Å; E92-F110 VanDerWaalsContact CG-CE1 3.45Å; E92-F110 HydrophobicContact CG-CZ 4.15Å; E92-F110 WeakPolarHBondContact OE2-CE1 3.48Å
93	V	97.9	Very high	95.7	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.6	-179.2	64	0	0	0	0	110.7	F91 F95 Q108 G109 F180 E183	F91-V93 HydrophobicContact CE1-CB 3.76Å; F91-V93 HydrophobicContact CE1-CG1 4.02Å; F91-V93 HydrophobicContact CE1-CG2 4.37Å; F91-V93 HydrophobicContact CE2-CB 4.33Å; F91-V93 HydrophobicContact CZ-CB 3.63Å; F91-V93 HydrophobicContact CZ-CG1 4.39Å; F91-V93 HydrophobicContact CZ-CG2 3.98Å; V93-F95 HydrophobicContact CG1-CD1 4.08Å; V93-F95 HydrophobicContact CG1-CE1 4.31Å; V93-F95 HydrophobicContact CG2-CD1 4.22Å; V93-Q108 CarbonylContact O-C 3.59Å; V93-Q108 WeakPolarHBondContact O-CA 3.3Å; V93-G109 PolarHBondContact N-O 3.1Å; V93-G109 PolarHBondContact O-N 3.28Å; V93-F180 HydrophobicContact CG1-CD2 3.9Å; V93-F180 HydrophobicContact CG1-CE2 3.73Å; V93-E183 HydrophobicContact CG2-CB 4.04Å; V93-E183 HydrophobicContact CG2-CG 3.97Å
94	N	98	Very high	95.7	Very high	91 Å²	91	60 Å²	60	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.7	167.7	-68.8	-67.7	0	0	0	107.3	I106 I107 Q108	N94-I106 HydrophobicContact CB-CG2 3.85Å; N94-I107 WeakPolarHBondContact CA-O 3.39Å; N94-Q108 WeakPolarHBondContact OD1-CB 3.22Å; N94-Q108 WeakPolarHBondContact OD1-CG 3.35Å
95	F	97.4	Very high	95.7	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.009	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.8	-179.6	58.5	-88.9	0	0	0	111.6	V93 I107 I176 R179 F180	V93-F95 HydrophobicContact CG1-CD1 4.08Å; V93-F95 HydrophobicContact CG1-CE1 4.31Å; V93-F95 HydrophobicContact CG2-CD1 4.22Å; F95-I107 HydrophobicContact CD2-CB 4.2Å; F95-I107 HydrophobicContact CE1-CB 4.2Å; F95-I107 HydrophobicContact CE1-CG2 3.98Å; F95-I107 HydrophobicContact CE2-CB 3.74Å; F95-I107 HydrophobicContact CE2-CG1 4.26Å; F95-I107 HydrophobicContact CE2-CG2 3.99Å; F95-I107 HydrophobicContact CZ-CB 3.75Å; F95-I107 HydrophobicContact CZ-CG2 3.5Å; F95-I107 PolarHBondContact N-O 3.04Å; F95-I107 PolarHBondContact O-N 3.09Å; F95-I176 HydrophobicContact CE2-CG2 4.15Å; F95-I176 HydrophobicContact CZ-CG2 4.03Å; F95-R179 HydrophobicContact CB-CG 4.15Å; F95-R179 HydrophobicContact CD2-CB 4.09Å; F95-R179 HydrophobicContact CD2-CG 3.41Å; F95-R179 VanDerWaalsContact CD2-CG 3.41Å; F95-R179 HydrophobicContact CE2-CB 4.13Å; F95-R179 HydrophobicContact CE2-CG 3.96Å; F95-R179 HydrophobicContact CG-CG 3.91Å; F95-F180 HydrophobicContact CE1-CB 4.16Å; F95-F180 AromaticContact CE1-CD2 3.81Å; F95-F180 HydrophobicContact CE1-CD2 3.81Å; F95-F180 HydrophobicContact CE1-CG 4.41Å; F95-F180 HydrophobicContact CZ-CB 3.98Å; F95-F180 HydrophobicContact CZ-CD2 4.42Å
96	P	97.1	Very high	95.9	Very high	67 Å²	67	65.8 Å²	65.8	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141	177.9	30.5	-34.6	0	0	0	110.8	I106	P96-I106 HydrophobicContact CB-CD1 4.22Å
97	H	93.6	Very high	96.2	Very high	8 Å²	8	63 Å²	63	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	173.7	170.3	70.7	0	0	0	109.1	F104 K105 I107 I176	H97-F104 WeakPolarHBondContact O-CA 3.31Å; H97-K105 PolarHBondContact N-O 2.78Å; H97-K105 PolarHBondContact O-N 3.41Å; H97-I107 HydrophobicContact CB-CG1 3.75Å; H97-I176 HydrophobicContact CB-CG1 4.43Å; H97-I176 WeakPolarHBondContact ND1-CG1 3.3Å
98	K	94.4	Very high	96.3	Very high	114 Å²	114	64.3 Å²	64.3	50%	0.496	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.9	169.9	-172.4	179.6	178.3	-177.8	0	108.6	T103 F104 R175	K98-T103 WeakPolarHBondContact CA-O 3.12Å; K98-F104 HydrophobicContact CB-CD1 4.21Å; K98-F104 HydrophobicContact CB-CE1 3.98Å; K98-F104 HydrophobicContact CB-CZ 4.41Å; K98-F104 HydrophobicContact CD-CE1 4.32Å; K98-F104 HydrophobicContact CD-CE2 4.39Å; K98-F104 HydrophobicContact CD-CZ 3.94Å; K98-F104 HydrophobicContact CG-CE1 4.25Å; K98-F104 HydrophobicContact CG-CE2 4.45Å; K98-F104 HydrophobicContact CG-CZ 4.18Å; K98-R175 PolarHBondContact O-NH2 3.34Å
99	A	94	Very high	96.4	Very high	4 Å²	4	61 Å²	61	3%	0.033	31%	0.312	C	S	.	.			trans	-68.4	164.5	174.2	0	0	0	0	0	110.8	D101 G102 T103 E172	A99-D101 VanDerWaalsContact CB-OD1 3.31Å; A99-D101 WeakPolarHBondContact CB-OD1 3.43Å; A99-D101 PolarHBondContact O-N 2.97Å; A99-G102 WeakPolarHBondContact O-CA 3.35Å; A99-G102 PolarHBondContact O-N 2.96Å; A99-T103 PolarHBondContact N-O 3.36Å; A99-E172 WeakPolarHBondContact CA-OE1 3.04Å; A99-E172 VanDerWaalsContact CB-OE1 3.3Å; A99-E172 WeakPolarHBondContact CB-OE1 3.45Å
100	D	94.8	Very high	96.4	Very high	91 Å²	91	57.6 Å²	57.6	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.8	-178.3	-71.3	-18.5	0	0	0	112.1	G102 S169 E172 R175	D100-G102 PolarHBondContact O-N 3.07Å; D100-S169 WeakPolarHBondContact OD2-CB 3.3Å; D100-S169 PolarHBondContact OD2-OG 3.03Å; D100-E172 PolarHBondContact N-OE1 3.07Å; D100-R175 IonicContact OD1-CZ 3.03Å; D100-R175 IonicContact OD1-NH1 3.61Å; D100-R175 PolarHBondContact OD1-NH1 2.98Å; D100-R175 IonicContact OD1-NH2 3.32Å; D100-R175 PolarHBondContact OD1-NH2 3.34Å
101	D	94.6	Very high	96.5	Very high	113 Å²	113	55.1 Å²	55.1	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.1	171.9	68.7	2.1	0	0	0	113.7	A99 T103	A99-D101 VanDerWaalsContact CB-OD1 3.31Å; A99-D101 WeakPolarHBondContact CB-OD1 3.43Å; A99-D101 PolarHBondContact O-N 2.97Å; D101-T103 VanDerWaalsContact C-N 3.32Å; D101-T103 VanDerWaalsContact OD1-CB 3.24Å; D101-T103 WeakPolarHBondContact OD1-CB 3.5Å; D101-T103 VanDerWaalsContact OD1-CG2 3.32Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.32Å; D101-T103 PolarHBondContact OD1-N 3Å; D101-T103 PolarHBondContact OD1-OG1 3.34Å; D101-T103 PolarHBondContact OD2-OG1 2.88Å
102	G	95	Very high	96.5	Very high	31 Å²	31	53.5 Å²	53.5	32%	0.32	28%	0.276	S	S	.	.	S	Bend	trans	85.7	-5.1	-179.1	0	0	0	0	0	114.9	A99 D100	A99-G102 WeakPolarHBondContact O-CA 3.35Å; A99-G102 PolarHBondContact O-N 2.96Å; D100-G102 PolarHBondContact O-N 3.07Å
103	T	95.6	Very high	96.5	Very high	61 Å²	61	49.9 Å²	49.9	37%	0.374	26%	0.26	S	S	.	.			trans	-69.1	147.3	176.6	64.7	0	0	0	0	111.4	K98 A99 D101	K98-T103 WeakPolarHBondContact CA-O 3.12Å; A99-T103 PolarHBondContact N-O 3.36Å; D101-T103 VanDerWaalsContact C-N 3.32Å; D101-T103 VanDerWaalsContact OD1-CB 3.24Å; D101-T103 WeakPolarHBondContact OD1-CB 3.5Å; D101-T103 VanDerWaalsContact OD1-CG2 3.32Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.32Å; D101-T103 PolarHBondContact OD1-N 3Å; D101-T103 PolarHBondContact OD1-OG1 3.34Å; D101-T103 PolarHBondContact OD2-OG1 2.88Å
104	F	95.5	Very high	96.5	Very high	156 Å²	156	49.4 Å²	49.4	68%	0.684	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.7	174.6	-71.7	-94.5	0	0	0	109.7	H97 K98	H97-F104 WeakPolarHBondContact O-CA 3.31Å; K98-F104 HydrophobicContact CB-CD1 4.21Å; K98-F104 HydrophobicContact CB-CE1 3.98Å; K98-F104 HydrophobicContact CB-CZ 4.41Å; K98-F104 HydrophobicContact CD-CE1 4.32Å; K98-F104 HydrophobicContact CD-CE2 4.39Å; K98-F104 HydrophobicContact CD-CZ 3.94Å; K98-F104 HydrophobicContact CG-CE1 4.25Å; K98-F104 HydrophobicContact CG-CE2 4.45Å; K98-F104 HydrophobicContact CG-CZ 4.18Å
105	K	94.5	Very high	96.5	Very high	100 Å²	100	45.7 Å²	45.7	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.9	176.9	-62	178.6	-176.1	172.1	0	109.4	H97	H97-K105 PolarHBondContact N-O 2.78Å; H97-K105 PolarHBondContact O-N 3.41Å
106	I	97.2	Very high	96.4	Very high	115 Å²	115	47.8 Å²	47.8	59%	0.59	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.9	169.4	-62	-60.2	0	0	0	108.2	N94 P96	N94-I106 HydrophobicContact CB-CG2 3.85Å; P96-I106 HydrophobicContact CB-CD1 4.22Å
107	I	97.7	Very high	96.4	Very high	10 Å²	10	47 Å²	47	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.9	172.9	-57.2	-57.7	0	0	0	108.6	N94 F95 H97 I161 I163 I176	N94-I107 WeakPolarHBondContact CA-O 3.39Å; F95-I107 HydrophobicContact CD2-CB 4.2Å; F95-I107 HydrophobicContact CE1-CB 4.2Å; F95-I107 HydrophobicContact CE1-CG2 3.98Å; F95-I107 HydrophobicContact CE2-CB 3.74Å; F95-I107 HydrophobicContact CE2-CG1 4.26Å; F95-I107 HydrophobicContact CE2-CG2 3.99Å; F95-I107 HydrophobicContact CZ-CB 3.75Å; F95-I107 HydrophobicContact CZ-CG2 3.5Å; F95-I107 PolarHBondContact N-O 3.04Å; F95-I107 PolarHBondContact O-N 3.09Å; H97-I107 HydrophobicContact CB-CG1 3.75Å; I107-I161 HydrophobicContact CG2-CG2 3.28Å; I107-I163 HydrophobicContact CD1-CG2 3.75Å; I107-I163 HydrophobicContact CG2-CG2 4.03Å; I107-I176 HydrophobicContact CD1-CD1 4.49Å; I107-I176 HydrophobicContact CG1-CD1 4.48Å; I107-I176 HydrophobicContact CG1-CG1 4.43Å; I107-I176 HydrophobicContact CG2-CG2 4.27Å
108	Q	98.2	Very high	96.5	Very high	52 Å²	52	52.4 Å²	52.4	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134	174.1	-168.4	179.1	40.1	0	0	109.7	E92 V93 N94 F110 K162	E92-Q108 PolarHBondContact OE1-NE2 3.06Å; V93-Q108 CarbonylContact O-C 3.59Å; V93-Q108 WeakPolarHBondContact O-CA 3.3Å; N94-Q108 WeakPolarHBondContact OD1-CB 3.22Å; N94-Q108 WeakPolarHBondContact OD1-CG 3.35Å; Q108-F110 VanDerWaalsContact CD-CZ 3.4Å; Q108-F110 HydrophobicContact CG-CE2 3.66Å; Q108-F110 HydrophobicContact CG-CZ 3.74Å; Q108-K162 HydrophobicContact CB-CB 4.38Å; Q108-K162 PolarHBondContact O-N 3.39Å
109	G	98.2	Very high	96.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.4	176.7	0	0	0	0	0	112	E92 V93 G160	E92-G109 WeakPolarHBondContact CA-O 3.43Å; V93-G109 PolarHBondContact N-O 3.1Å; V93-G109 PolarHBondContact O-N 3.28Å; G109-G160 CarbonylContact C-O 3.59Å; G109-G160 VanDerWaalsContact CA-O 3.29Å; G109-G160 WeakPolarHBondContact CA-O 3.4Å
110	F	98.3	Very high	96.8	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.1	-177.4	-58.4	-91.8	0	0	0	110.7	F91 E92 Q108 V131 R133 V136 G159 G160	F91-F110 CarbonylContact O-C 3.51Å; F91-F110 VanDerWaalsContact O-CA 3.29Å; F91-F110 WeakPolarHBondContact O-CA 3.46Å; E92-F110 HydrophobicContact CB-CD1 3.87Å; E92-F110 HydrophobicContact CB-CE1 3.95Å; E92-F110 HydrophobicContact CG-CD1 3.81Å; E92-F110 HydrophobicContact CG-CE1 3.45Å; E92-F110 VanDerWaalsContact CG-CE1 3.45Å; E92-F110 HydrophobicContact CG-CZ 4.15Å; E92-F110 WeakPolarHBondContact OE2-CE1 3.48Å; Q108-F110 VanDerWaalsContact CD-CZ 3.4Å; Q108-F110 HydrophobicContact CG-CE2 3.66Å; Q108-F110 HydrophobicContact CG-CZ 3.74Å; F110-V131 HydrophobicContact CD2-CG1 3.75Å; F110-V131 HydrophobicContact CE2-CG1 4.33Å; F110-R133 HydrophobicContact CD1-CB 4.18Å; F110-R133 HydrophobicContact CE1-CB 3.92Å; F110-V136 HydrophobicContact CB-CB 4.39Å; F110-V136 HydrophobicContact CB-CG1 4.29Å; F110-V136 HydrophobicContact CB-CG2 4.11Å; F110-G159 CarbonylContact O-C 3.41Å; F110-G159 WeakPolarHBondContact O-CA 3.19Å; F110-G160 PolarHBondContact N-O 2.96Å; F110-G160 PolarHBondContact O-N 2.88Å
111	R	98.4	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	120.6	164.9	-170.3	83.4	-178.8	158.2	-1.9	109.3	F91 G123 G124 K158 L184 F189 D195	F91-R111 PolarHBondContact N-O 3.27Å; F91-R111 PolarHBondContact O-N 2.93Å; R111-G123 PolarHBondContact NH1-O 3.04Å; R111-G123 PolarHBondContact NH2-O 3.47Å; R111-G124 PolarHBondContact NH1-O 2.81Å; R111-K158 CarbonylContact C-O 3.18Å; R111-K158 VanDerWaalsContact CA-O 3.28Å; R111-K158 WeakPolarHBondContact CA-O 3.43Å; R111-K158 WeakPolarHBondContact CD-O 3.31Å; R111-K158 VanDerWaalsContact NH1-C 3.26Å; R111-L184 HydrophobicContact CB-CD2 3.67Å; R111-L184 HydrophobicContact CG-CD2 4.21Å; R111-F189 HydrophobicContact CB-CB 4.47Å; R111-F189 HydrophobicContact CB-CD1 3.87Å; R111-F189 HydrophobicContact CB-CG 4.42Å; R111-F189 HydrophobicContact CG-CB 4.14Å; R111-F189 HydrophobicContact CG-CD1 3.59Å; R111-F189 HydrophobicContact CG-CE1 4.47Å; R111-F189 HydrophobicContact CG-CG 4.28Å; R111-F189 WeakPolarHBondContact O-CE1 3.47Å; R111-D195 IonicContact CZ-OD1 2.68Å; R111-D195 IonicContact NE-OD1 3.38Å; R111-D195 PolarHBondContact NE-OD1 3.16Å; R111-D195 IonicContact NE-OD2 3.56Å; R111-D195 PolarHBondContact NE-OD2 3.43Å; R111-D195 IonicContact NH2-OD1 3.99Å; R111-D195 PolarHBondContact NH2-OD1 2.99Å; R111-D195 IonicContact NH2-OD2 2.75Å
112	A	98.1	Very high	97.1	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	-105.6	135.1	172.6	0	0	0	0	0	110.2	H89 I90 V136 M137 A140 A157 K158	H89-A112 CarbonylContact O-C 3.57Å; H89-A112 WeakPolarHBondContact O-CA 3.39Å; I90-A112 HydrophobicContact CG1-CB 4.1Å; A112-V136 HydrophobicContact CB-CG1 3.83Å; A112-M137 HydrophobicContact CB-CG 4.4Å; A112-A140 HydrophobicContact CB-CB 3.88Å; A112-A157 CarbonylContact O-C 3.54Å; A112-A157 WeakPolarHBondContact O-CA 3.33Å; A112-A157 VanDerWaalsContact O-CB 3.26Å; A112-A157 WeakPolarHBondContact O-CB 3.37Å; A112-K158 PolarHBondContact N-O 2.7Å; A112-K158 PolarHBondContact O-N 2.94Å
113	Q	98.3	Very high	97.2	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.8	167.5	-71.8	176	-3.7	0	0	107.5	T88 H89 T121 A157 F189 D195	T88-Q113 PolarHBondContact N-O 2.9Å; H89-Q113 HydrophobicContact CB-CB 4.3Å; H89-Q113 PolarHBondContact N-O 3.41Å; H89-Q113 PolarHBondContact ND1-OE1 3.04Å; H89-Q113 PolarHBondContact O-N 3.24Å; Q113-T121 HydrophobicContact CB-CG2 4.27Å; Q113-T121 HydrophobicContact CG-CG2 4.15Å; Q113-A157 HydrophobicContact CG-CB 4.38Å; Q113-F189 HydrophobicContact CB-CE1 4.43Å; Q113-F189 HydrophobicContact CG-CD1 3.88Å; Q113-F189 HydrophobicContact CG-CE1 3.81Å; Q113-D195 VanDerWaalsContact CG-OD2 3.26Å; Q113-D195 WeakPolarHBondContact CG-OD2 3.25Å; Q113-D195 PolarHBondContact NE2-OD2 3.16Å
114	H	97.8	Very high	97.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	18%	0.184	C	C	.	.			trans	-72.3	-55.6	-176	174.9	-102.3	0	0	0	111.6	I84 R85 P87 T88 A140 A141 T144 Y145 G156	I84-H114 PolarHBondContact O-CE1 3.06Å; I84-H114 PolarHBondContact O-NE2 3.26Å; I84-H114 VanDerWaalsContact O-NE2 3.17Å; R85-H114 PolarHBondContact O-NE2 3.24Å; P87-H114 WeakPolarHBondContact CA-O 3.4Å; P87-H114 HydrophobicContact CB-CB 4.41Å; T88-H114 PolarHBondContact N-O 2.89Å; T88-H114 PolarHBondContact OG1-O 3.15Å; H114-A140 VanDerWaalsContact CB-C 3.49Å; H114-A140 HydrophobicContact CB-CB 3.95Å; H114-A140 WeakPolarHBondContact CB-O 3.46Å; H114-A141 VanDerWaalsContact CD2-CA 3.5Å; H114-A141 WeakPolarHBondContact CD2-CA 3.33Å; H114-A141 VanDerWaalsContact CD2-CB 3.45Å; H114-A141 WeakPolarHBondContact CD2-CB 2.92Å; H114-A141 VanDerWaalsContact CG-CA 3.45Å; H114-T144 WeakPolarHBondContact CB-OG1 3.48Å; H114-T144 WeakPolarHBondContact ND1-CB 3.35Å; H114-T144 PolarHBondContact ND1-OG1 2.99Å; H114-Y145 AromaticContact CE1-CE1 3.86Å; H114-Y145 AromaticContact CE1-CZ 3.7Å; H114-Y145 PolarHBondContact CE1-OH 3.33Å; H114-Y145 PolarHBondContact NE2-OH 3.38Å; H114-G156 WeakPolarHBondContact CB-O 3.4Å; H114-G156 PolarHBondContact N-O 3.26Å
115	S	97.1	Very high	97.3	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	15%	0.152	C	C	.	.			trans	-133.6	138.7	-177.1	-177.7	0	0	0	0	110.6	H117 T121 G155	S115-H117 PolarHBondContact OG-N 3.04Å; S115-H117 PolarHBondContact OG-ND1 3.43Å; S115-T121 WeakPolarHBondContact O-CG2 3.36Å; S115-G155 WeakPolarHBondContact O-CA 3.36Å
116	V	96.5	Very high	97.3	Very high	46 Å²	46	29.4 Å²	29.4	28%	0.279	13%	0.134	S	C	.	.			trans	-107.1	14.1	173.2	-62.4	0	0	0	0	112.7	T88 R118 T121	T88-V116 HydrophobicContact CG2-CG1 4.45Å; T88-V116 HydrophobicContact CG2-CG2 4.23Å; V116-R118 PolarHBondContact O-N 2.98Å; V116-R118 VanDerWaalsContact O-N 3.15Å; V116-T121 HydrophobicContact CG1-CG2 4.24Å
117	H	96.7	Very high	97.3	Very high	51 Å²	51	24.2 Å²	24.2	24%	0.236	11%	0.107	C	C	.	.	S	Bend	trans	-60.1	-25	179.3	82.4	-72.1	0	0	0	113	L5 S115	L5-H117 HydrophobicContact CD1-CB 4.3Å; L5-H117 HydrophobicContact CD2-CB 3.73Å; L5-H117 HydrophobicContact CG-CB 4.17Å; S115-H117 PolarHBondContact OG-N 3.04Å; S115-H117 PolarHBondContact OG-ND1 3.43Å
118	R	96.5	Very high	97	Very high	122 Å²	122	24.5 Å²	24.5	46%	0.46	11%	0.11	S	C	.	.	S	Bend	trans	-128.6	137.8	167.2	-67.6	-69.5	-173	-142.7	5.5	107.6	V116 P153 G155	V116-R118 PolarHBondContact O-N 2.98Å; V116-R118 VanDerWaalsContact O-N 3.15Å; R118-P153 WeakPolarHBondContact CB-O 3.24Å; R118-G155 PolarHBondContact O-N 2.9Å
119	R	95.8	Very high	96.8	Very high	154 Å²	154	27 Å²	27	58%	0.581	12%	0.123	S	C	*	.	S	Bend	trans	-119.3	145.5	173.2	-72.7	-169.8	179.5	-168.3	-1.4	109.8
120	P	98.2	Very high	96.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.019	15%	0.153	C	C	.	.	S	Bend	cis	-70.9	164.5	-0.7	31.3	-37.7	0	0	0	113.3	F154 G155 P192 T194 V196 W418	P120-F154 HydrophobicContact CG-CD1 3.79Å; P120-F154 HydrophobicContact CG-CE1 3.58Å; P120-F154 WeakPolarHBondContact O-CA 3.34Å; P120-F154 WeakPolarHBondContact O-CD1 3.47Å; P120-G155 PolarHBondContact O-N 2.89Å; P120-P192 WeakPolarHBondContact CG-O 3.46Å; P120-T194 CarbonylContact C-O 3.44Å; P120-T194 WeakPolarHBondContact CA-O 3.26Å; P120-V196 HydrophobicContact CB-CG2 3.76Å; P120-V196 HydrophobicContact CG-CB 4.46Å; P120-V196 HydrophobicContact CG-CG2 3.69Å; P120-W418 HydrophobicContact CG-CZ2 3.8Å
121	T	98.4	Very high	96	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	154.6	163.7	55	0	0	0	0	110.2	Q113 S115 V116 G155 T194 D195 V196	Q113-T121 HydrophobicContact CB-CG2 4.27Å; Q113-T121 HydrophobicContact CG-CG2 4.15Å; S115-T121 WeakPolarHBondContact O-CG2 3.36Å; V116-T121 HydrophobicContact CG1-CG2 4.24Å; T121-G155 CarbonylContact C-O 3.45Å; T121-G155 WeakPolarHBondContact CA-O 3.24Å; T121-T194 PolarHBondContact N-O 3.45Å; T121-T194 PolarHBondContact OG1-O 3.02Å; T121-D195 CarbonylContact O-C 3.57Å; T121-D195 WeakPolarHBondContact O-CA 3.26Å; T121-D195 WeakPolarHBondContact OG1-CA 3.38Å; T121-D195 WeakPolarHBondContact OG1-CB 3.34Å; T121-D195 PolarHBondContact OG1-OD1 3.44Å; T121-D195 PolarHBondContact OG1-OD2 3.11Å; T121-V196 PolarHBondContact O-N 3.29Å
122	K	98.2	Very high	95.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.3	-172.8	-166.1	81.3	-167.4	73.3	0	111.6	F154 G155 A157 V196 P197 T231 V411	K122-F154 HydrophobicContact CB-CB 3.59Å; K122-F154 HydrophobicContact CB-CD2 3.58Å; K122-F154 HydrophobicContact CB-CE2 4.4Å; K122-F154 HydrophobicContact CB-CG 3.72Å; K122-F154 HydrophobicContact CD-CD2 3.73Å; K122-F154 HydrophobicContact CD-CE2 3.68Å; K122-F154 HydrophobicContact CD-CG 4.39Å; K122-F154 HydrophobicContact CD-CZ 4.29Å; K122-F154 HydrophobicContact CG-CD2 3.61Å; K122-F154 HydrophobicContact CG-CE2 4.05Å; K122-F154 HydrophobicContact CG-CG 4.26Å; K122-G155 PolarHBondContact N-O 3.25Å; K122-A157 PolarHBondContact O-N 3.49Å; K122-V196 HydrophobicContact CD-CB 3.95Å; K122-V196 HydrophobicContact CD-CG1 3.99Å; K122-V196 VanDerWaalsContact CD-O 3.26Å; K122-V196 WeakPolarHBondContact CD-O 3.44Å; K122-V196 WeakPolarHBondContact CE-O 3.21Å; K122-V196 PolarHBondContact NZ-O 3.34Å; K122-P197 VanDerWaalsContact NZ-C 3.35Å; K122-P197 PolarHBondContact NZ-O 3.45Å; K122-T231 WeakPolarHBondContact CE-OG1 3.47Å; K122-T231 PolarHBondContact NZ-OG1 3.15Å; K122-V411 HydrophobicContact CG-CG2 4.14Å
123	G	96.1	Very high	95.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	180	149.2	179.5	0	0	0	0	0	115.3	R111 A157 P197 A198	R111-G123 PolarHBondContact NH1-O 3.04Å; R111-G123 PolarHBondContact NH2-O 3.47Å; G123-A157 WeakPolarHBondContact CA-O 3.4Å; G123-P197 CarbonylContact O-C 3.44Å; G123-P197 WeakPolarHBondContact O-CA 3.45Å; G123-A198 PolarHBondContact O-N 3.16Å
124	G	95.2	Very high	95.3	Very high	6 Å²	6	42.3 Å²	42.3	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	162.6	178.5	0	0	0	0	0	114.5	R111 G159 A198	R111-G124 PolarHBondContact NH1-O 2.81Å; G124-G159 PolarHBondContact O-N 3.43Å; G124-A198 CarbonylContact C-O 3.54Å; G124-A198 WeakPolarHBondContact CA-O 3.2Å
125	I	97.4	Very high	94.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.8	167	-67.4	167.9	0	0	0	108.6	Y127 G159 F180 L184 P197 A198 D200 T203 I211	I125-Y127 HydrophobicContact CG2-CD1 4.34Å; I125-Y127 HydrophobicContact CG2-CE1 3.83Å; I125-G159 WeakPolarHBondContact CA-O 3.42Å; I125-F180 HydrophobicContact CD1-CE1 4.19Å; I125-F180 HydrophobicContact CG1-CE1 4.5Å; I125-F180 HydrophobicContact CG2-CE1 4.22Å; I125-L184 HydrophobicContact CD1-CD1 4.44Å; I125-P197 HydrophobicContact CD1-CB 3.53Å; I125-P197 HydrophobicContact CD1-CG 3.96Å; I125-P197 HydrophobicContact CG1-CB 3.94Å; I125-A198 PolarHBondContact N-O 3.32Å; I125-D200 VanDerWaalsContact O-CB 3.31Å; I125-D200 WeakPolarHBondContact O-CB 3.4Å; I125-D200 PolarHBondContact O-N 2.96Å; I125-T203 VanDerWaalsContact O-CG2 3.24Å; I125-T203 WeakPolarHBondContact O-CG2 3.06Å; I125-T203 PolarHBondContact O-OG1 3.49Å; I125-I211 HydrophobicContact CD1-CD1 3.71Å
126	R	94.9	Very high	94.6	Very high	18 Å²	18	42.8 Å²	42.8	7%	0.068	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.9	-178.2	175.2	175.3	-69.6	-159.6	-10.2	111.8	V131 E135 G159 G160 I161 D200 M201	R126-V131 HydrophobicContact CB-CG2 4.36Å; R126-V131 HydrophobicContact CG-CG2 3.98Å; R126-E135 IonicContact CZ-OE1 3.55Å; R126-E135 IonicContact NH1-OE1 2.67Å; R126-E135 PolarHBondContact NH1-OE1 2.91Å; R126-G159 PolarHBondContact N-O 2.71Å; R126-G160 CarbonylContact O-C 3.46Å; R126-G160 WeakPolarHBondContact O-CA 3.48Å; R126-I161 PolarHBondContact O-N 3.39Å; R126-D200 HydrophobicContact CB-CB 4.18Å; R126-D200 IonicContact CZ-OD1 2.87Å; R126-D200 IonicContact NE-OD1 3.22Å; R126-D200 PolarHBondContact NE-OD1 3.09Å; R126-D200 IonicContact NH2-OD1 2.69Å; R126-D200 PolarHBondContact NH2-OD1 3.02Å; R126-M201 CarbonylContact C-O 3.57Å; R126-M201 WeakPolarHBondContact CA-O 3.44Å; R126-M201 HydrophobicContact CG-CB 4.24Å; R126-M201 HydrophobicContact CG-CE 4.29Å; R126-M201 VanDerWaalsContact CZ-CE 3.41Å
127	Y	96.4	Very high	94.5	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.4	165.1	-66.1	-6.1	0	0	0	108.4	I125 I161 I163 P165 L173 T177 M201 G202 T203 E207	I125-Y127 HydrophobicContact CG2-CD1 4.34Å; I125-Y127 HydrophobicContact CG2-CE1 3.83Å; Y127-I161 HydrophobicContact CD1-CB 3.75Å; Y127-I161 HydrophobicContact CD1-CD1 4.16Å; Y127-I161 HydrophobicContact CD1-CG1 3.98Å; Y127-I161 HydrophobicContact CE1-CB 3.85Å; Y127-I161 HydrophobicContact CE1-CD1 3.34Å; Y127-I161 HydrophobicContact CE1-CG1 3.6Å; Y127-I163 CarbonylContact C-O 3.58Å; Y127-I163 HydrophobicContact CD1-CD1 4.38Å; Y127-I163 HydrophobicContact CD1-CG1 4.47Å; Y127-I163 HydrophobicContact CD2-CD1 3.94Å; Y127-I163 HydrophobicContact CD2-CG1 4.5Å; Y127-I163 HydrophobicContact CE2-CD1 4.27Å; Y127-I163 HydrophobicContact CG-CD1 4Å; Y127-I163 HydrophobicContact CG-CG1 4.11Å; Y127-P165 HydrophobicContact CD2-CB 4.28Å; Y127-L173 HydrophobicContact CD2-CD2 4.39Å; Y127-L173 HydrophobicContact CE2-CD2 4.31Å; Y127-T177 PolarHBondContact OH-OG1 3.29Å; Y127-M201 PolarHBondContact N-O 3.18Å; Y127-G202 WeakPolarHBondContact CD2-O 3.47Å; Y127-T203 HydrophobicContact CD1-CG2 3.63Å; Y127-T203 HydrophobicContact CD2-CG2 3.67Å; Y127-T203 HydrophobicContact CE1-CG2 3.64Å; Y127-T203 HydrophobicContact CE2-CG2 3.74Å; Y127-T203 HydrophobicContact CG-CG2 3.62Å; Y127-E207 HydrophobicContact CE2-CG 3.89Å
128	S	92.8	Very high	94.2	Very high	16 Å²	16	40.1 Å²	40.1	11%	0.112	19%	0.185	C	C	.	.			trans	-156.7	153.1	172.8	179.7	0	0	0	0	109.9	D130 V131 I161 K162 I163	S128-D130 PolarHBondContact O-N 3.06Å; S128-D130 PolarHBondContact OG-N 3.42Å; S128-D130 VanDerWaalsContact OG-N 3.13Å; S128-D130 PolarHBondContact OG-OD2 3.37Å; S128-D130 VanDerWaalsContact OG-OD2 3.08Å; S128-V131 WeakPolarHBondContact O-CB 3.33Å; S128-V131 WeakPolarHBondContact O-CG2 3.46Å; S128-V131 PolarHBondContact O-N 2.86Å; S128-I161 PolarHBondContact N-O 3.14Å; S128-K162 WeakPolarHBondContact O-CA 3.45Å; S128-I163 CarbonylContact C-O 3.48Å; S128-I163 WeakPolarHBondContact CA-O 3.49Å; S128-I163 PolarHBondContact N-O 3.02Å; S128-I163 VanDerWaalsContact N-O 3.16Å; S128-I163 PolarHBondContact O-N 2.84Å
129	M	94.1	Very high	93.8	Very high	105 Å²	105	34.6 Å²	34.6	52%	0.517	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.6	169.8	-68.9	-59.9	-68.2	0	0	112.8	V131 K162 I163 N164	M129-V131 VanDerWaalsContact C-N 3.25Å; M129-V131 PolarHBondContact O-N 3.02Å; M129-K162 WeakPolarHBondContact O-CE 3.16Å; M129-I163 PolarHBondContact N-O 2.84Å; M129-N164 HydrophobicContact CG-CB 3.99Å
130	D	88.6	Confident	93.8	Very high	120 Å²	120	27.3 Å²	27.3	64%	0.642	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.7	179.3	-53.2	-47	0	0	0	113.1	S128 C132	S128-D130 PolarHBondContact O-N 3.06Å; S128-D130 PolarHBondContact OG-N 3.42Å; S128-D130 VanDerWaalsContact OG-N 3.13Å; S128-D130 PolarHBondContact OG-OD2 3.37Å; S128-D130 VanDerWaalsContact OG-OD2 3.08Å; D130-C132 PolarHBondContact O-N 3.05Å; D130-C132 VanDerWaalsContact O-N 3.12Å
131	V	91.1	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.			trans	-58.7	120	-179.9	172.2	0	0	0	0	109.9	F110 R126 S128 M129 V136 K162	F110-V131 HydrophobicContact CD2-CG1 3.75Å; F110-V131 HydrophobicContact CE2-CG1 4.33Å; R126-V131 HydrophobicContact CB-CG2 4.36Å; R126-V131 HydrophobicContact CG-CG2 3.98Å; S128-V131 WeakPolarHBondContact O-CB 3.33Å; S128-V131 WeakPolarHBondContact O-CG2 3.46Å; S128-V131 PolarHBondContact O-N 2.86Å; M129-V131 VanDerWaalsContact C-N 3.25Å; M129-V131 PolarHBondContact O-N 3.02Å; V131-V136 HydrophobicContact CG1-CG2 4.05Å; V131-K162 HydrophobicContact CB-CB 4.43Å
132	C	93.3	Very high	93.3	Very high	45 Å²	45	28.1 Å²	28.1	30%	0.304	14%	0.142	S	C	.	.			trans	-137.8	169.4	171.7	71.7	0	0	0	0	110.9	D130 E134 E135 V136	D130-C132 PolarHBondContact O-N 3.05Å; D130-C132 VanDerWaalsContact O-N 3.12Å; C132-E134 VanDerWaalsContact C-N 3.32Å; C132-E134 PolarHBondContact O-N 3.43Å; C132-E135 PolarHBondContact O-N 2.93Å; C132-E135 PolarHBondContact SG-N 3.43Å; C132-E135 VanDerWaalsContact SG-N 3.44Å; C132-V136 WeakPolarHBondContact O-CG2 3.47Å; C132-V136 PolarHBondContact O-N 3.37Å; C132-V136 VanDerWaalsContact O-N 3.16Å
133	R	94.9	Very high	93	Very high	103 Å²	103	29 Å²	29	39%	0.389	15%	0.147	S	C	.	.	H	α-helix	trans	-56.7	-47.4	-178.7	-178.8	175.9	179.6	-88.7	0.3	111.5	I90 F110 V136 M137	I90-R133 VanDerWaalsContact CD1-NH2 3.29Å; I90-R133 HydrophobicContact CG2-CG 4.23Å; F110-R133 HydrophobicContact CD1-CB 4.18Å; F110-R133 HydrophobicContact CE1-CB 3.92Å; R133-V136 PolarHBondContact O-N 3.43Å; R133-M137 HydrophobicContact CG-SD 3.95Å; R133-M137 WeakPolarHBondContact O-CG 3.45Å; R133-M137 PolarHBondContact O-N 3.46Å
134	E	92.1	Very high	93.1	Very high	74 Å²	74	29.1 Å²	29.1	35%	0.346	15%	0.148	S	C	.	.	H	α-helix	trans	-66	-43.3	-175	-66.2	64.5	-138.1	0	0	111.8	H42 C132 V136 M137 A138	H42-E134 HydrophobicContact CB-CB 4.22Å; H42-E134 WeakPolarHBondContact CB-O 3.42Å; C132-E134 VanDerWaalsContact C-N 3.32Å; C132-E134 PolarHBondContact O-N 3.43Å; E134-V136 PolarHBondContact O-N 2.87Å; E134-M137 PolarHBondContact O-N 3.33Å; E134-A138 PolarHBondContact O-N 3.26Å
135	E	86.6	Confident	93	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-46.9	176.2	-172.3	-153.6	-144.7	0	0	111.1	R126 C132 M137 A138 L139	R126-E135 IonicContact CZ-OE1 3.55Å; R126-E135 IonicContact NH1-OE1 2.67Å; R126-E135 PolarHBondContact NH1-OE1 2.91Å; C132-E135 PolarHBondContact O-N 2.93Å; C132-E135 PolarHBondContact SG-N 3.43Å; C132-E135 VanDerWaalsContact SG-N 3.44Å; E135-M137 VanDerWaalsContact C-N 3.33Å; E135-M137 PolarHBondContact O-N 2.99Å; E135-A138 WeakPolarHBondContact O-CB 3.43Å; E135-A138 PolarHBondContact O-N 3.49Å; E135-L139 HydrophobicContact CG-CD1 3.9Å; E135-L139 WeakPolarHBondContact O-CB 3.29Å; E135-L139 WeakPolarHBondContact O-CG 3.31Å; E135-L139 PolarHBondContact O-N 2.88Å
136	V	92.8	Very high	92.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-37.7	-179.6	173.9	0	0	0	0	111.3	F110 A112 V131 C132 R133 E134 A140 K158	F110-V136 HydrophobicContact CB-CB 4.39Å; F110-V136 HydrophobicContact CB-CG1 4.29Å; F110-V136 HydrophobicContact CB-CG2 4.11Å; A112-V136 HydrophobicContact CB-CG1 3.83Å; V131-V136 HydrophobicContact CG1-CG2 4.05Å; C132-V136 WeakPolarHBondContact O-CG2 3.47Å; C132-V136 PolarHBondContact O-N 3.37Å; C132-V136 VanDerWaalsContact O-N 3.16Å; R133-V136 PolarHBondContact O-N 3.43Å; E134-V136 PolarHBondContact O-N 2.87Å; V136-A140 VanDerWaalsContact O-CB 3.28Å; V136-A140 WeakPolarHBondContact O-CB 3.29Å; V136-A140 PolarHBondContact O-N 3.23Å; V136-K158 HydrophobicContact CG1-CB 4.11Å; V136-K158 HydrophobicContact CG1-CG 4.43Å; V136-K158 WeakPolarHBondContact CG1-O 3.27Å; V136-K158 WeakPolarHBondContact O-CB 3.48Å
137	M	94.5	Very high	92.9	Very high	36 Å²	36	30.2 Å²	30.2	18%	0.177	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-46.9	173.5	-68.9	167.6	58.4	0	0	111.8	P87 I90 A112 R133 E134 E135 A140 A141	P87-M137 HydrophobicContact CG-CB 4.23Å; P87-M137 HydrophobicContact CG-CE 3.71Å; P87-M137 HydrophobicContact CG-CG 3.93Å; P87-M137 HydrophobicContact CG-SD 4.5Å; I90-M137 HydrophobicContact CD1-CE 3.92Å; I90-M137 HydrophobicContact CD1-CG 3.56Å; I90-M137 HydrophobicContact CD1-SD 3.39Å; I90-M137 WeakPolarHBondContact CD1-SD 3.16Å; I90-M137 HydrophobicContact CG1-CG 4Å; I90-M137 HydrophobicContact CG1-SD 4.44Å; A112-M137 HydrophobicContact CB-CG 4.4Å; R133-M137 HydrophobicContact CG-SD 3.95Å; R133-M137 WeakPolarHBondContact O-CG 3.45Å; R133-M137 PolarHBondContact O-N 3.46Å; E134-M137 PolarHBondContact O-N 3.33Å; E135-M137 VanDerWaalsContact C-N 3.33Å; E135-M137 PolarHBondContact O-N 2.99Å; M137-A140 PolarHBondContact O-N 3.24Å; M137-A141 PolarHBondContact O-N 3.04Å
138	A	89.3	Confident	92.9	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-47.6	-179.8	0	0	0	0	0	112.2	F41 H42 V45 E134 E135 A140 A141 L142	F41-A138 HydrophobicContact CD1-CB 3.62Å; F41-A138 HydrophobicContact CE1-CB 3.78Å; H42-A138 VanDerWaalsContact CA-CB 3.47Å; H42-A138 HydrophobicContact CB-CB 3.73Å; V45-A138 HydrophobicContact CB-CB 4.4Å; V45-A138 HydrophobicContact CG2-CB 4.14Å; E134-A138 PolarHBondContact O-N 3.26Å; E135-A138 WeakPolarHBondContact O-CB 3.43Å; E135-A138 PolarHBondContact O-N 3.49Å; A138-A140 VanDerWaalsContact C-N 3.3Å; A138-A140 PolarHBondContact O-N 2.98Å; A138-A141 WeakPolarHBondContact O-CB 3.46Å; A138-A141 PolarHBondContact O-N 3.38Å; A138-L142 PolarHBondContact O-N 3.02Å
139	L	90	Very high	93	Very high	7 Å²	7	34 Å²	34	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-32.9	178.3	-69.9	171	0	0	0	111.8	F41 E135 L142 M143 K158	F41-L139 HydrophobicContact CE1-CD2 3.51Å; F41-L139 HydrophobicContact CE1-CG 3.74Å; F41-L139 HydrophobicContact CZ-CD2 3.78Å; E135-L139 HydrophobicContact CG-CD1 3.9Å; E135-L139 WeakPolarHBondContact O-CB 3.29Å; E135-L139 WeakPolarHBondContact O-CG 3.31Å; E135-L139 PolarHBondContact O-N 2.88Å; L139-L142 HydrophobicContact CD2-CD1 4.34Å; L139-M143 WeakPolarHBondContact O-CG 3.34Å; L139-M143 PolarHBondContact O-N 3.21Å; L139-K158 HydrophobicContact CB-CB 3.96Å; L139-K158 HydrophobicContact CB-CD 3.74Å; L139-K158 HydrophobicContact CB-CG 3.54Å; L139-K158 HydrophobicContact CD1-CD 4.29Å; L139-K158 HydrophobicContact CD1-CG 4.19Å
140	A	95.3	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-38.7	173.7	0	0	0	0	0	112.2	A112 H114 V136 M137 A138 M143 T144 G156 K158	A112-A140 HydrophobicContact CB-CB 3.88Å; H114-A140 VanDerWaalsContact CB-C 3.49Å; H114-A140 HydrophobicContact CB-CB 3.95Å; H114-A140 WeakPolarHBondContact CB-O 3.46Å; V136-A140 VanDerWaalsContact O-CB 3.28Å; V136-A140 WeakPolarHBondContact O-CB 3.29Å; V136-A140 PolarHBondContact O-N 3.23Å; M137-A140 PolarHBondContact O-N 3.24Å; A138-A140 VanDerWaalsContact C-N 3.3Å; A138-A140 PolarHBondContact O-N 2.98Å; A140-M143 PolarHBondContact O-N 3.4Å; A140-T144 PolarHBondContact O-N 3.5Å; A140-T144 PolarHBondContact O-OG1 2.98Å; A140-G156 CarbonylContact O-C 3.48Å; A140-G156 WeakPolarHBondContact O-CA 3.28Å; A140-K158 HydrophobicContact CB-CB 3.94Å
141	A	94	Very high	93.5	Very high	8 Å²	8	32.2 Å²	32.2	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-50.5	173.6	0	0	0	0	0	111.1	V45 H114 M137 A138 M143 T144 Y145	V45-A141 HydrophobicContact CG1-CB 4.21Å; H114-A141 VanDerWaalsContact CD2-CA 3.5Å; H114-A141 WeakPolarHBondContact CD2-CA 3.33Å; H114-A141 VanDerWaalsContact CD2-CB 3.45Å; H114-A141 WeakPolarHBondContact CD2-CB 2.92Å; H114-A141 VanDerWaalsContact CG-CA 3.45Å; M137-A141 PolarHBondContact O-N 3.04Å; A138-A141 WeakPolarHBondContact O-CB 3.46Å; A138-A141 PolarHBondContact O-N 3.38Å; A141-M143 PolarHBondContact O-N 3.03Å; A141-T144 WeakPolarHBondContact O-CB 2.99Å; A141-T144 PolarHBondContact O-N 3.4Å; A141-Y145 HydrophobicContact CB-CE2 3.85Å; A141-Y145 WeakPolarHBondContact O-CD2 3.43Å; A141-Y145 WeakPolarHBondContact O-CE2 3.35Å; A141-Y145 PolarHBondContact O-N 3.27Å
142	L	90.7	Very high	93.8	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-53.6	-40.3	174.3	-78.1	173	0	0	0	112.4	F41 V45 A138 L139 T144 Y145 K146	F41-L142 HydrophobicContact CE1-CD1 3.97Å; F41-L142 HydrophobicContact CE2-CD1 4.48Å; F41-L142 HydrophobicContact CZ-CD1 3.46Å; F41-L142 VanDerWaalsContact CZ-CD1 3.46Å; V45-L142 HydrophobicContact CG1-CD2 4.2Å; V45-L142 HydrophobicContact CG1-CG 3.95Å; V45-L142 HydrophobicContact CG2-CD1 3.72Å; V45-L142 HydrophobicContact CG2-CD2 4.22Å; V45-L142 HydrophobicContact CG2-CG 3.82Å; A138-L142 PolarHBondContact O-N 3.02Å; L139-L142 HydrophobicContact CD2-CD1 4.34Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 2.8Å; L142-Y145 PolarHBondContact O-N 2.98Å; L142-K146 WeakPolarHBondContact O-CB 3.36Å; L142-K146 PolarHBondContact O-N 3.35Å
143	M	93.9	Very high	94	Very high	22 Å²	22	32.6 Å²	32.6	11%	0.108	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-33.8	176.5	-77.4	-58.4	-54.4	0	0	113.2	L139 A140 A141 K146 C147 A157 V411	L139-M143 WeakPolarHBondContact O-CG 3.34Å; L139-M143 PolarHBondContact O-N 3.21Å; A140-M143 PolarHBondContact O-N 3.4Å; A141-M143 PolarHBondContact O-N 3.03Å; M143-K146 HydrophobicContact SD-CD 4.25Å; M143-C147 WeakPolarHBondContact O-CB 3.32Å; M143-C147 PolarHBondContact O-N 3.05Å; M143-C147 PolarHBondContact O-SG 2.87Å; M143-A157 WeakPolarHBondContact CG-O 3.25Å; M143-V411 HydrophobicContact CE-CB 4.2Å; M143-V411 HydrophobicContact CE-CG2 3.79Å
144	T	96.4	Very high	94.2	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-49.7	176.4	-60.1	0	0	0	0	109.9	H114 A140 A141 L142 C147 A148 G156	H114-T144 WeakPolarHBondContact CB-OG1 3.48Å; H114-T144 WeakPolarHBondContact ND1-CB 3.35Å; H114-T144 PolarHBondContact ND1-OG1 2.99Å; A140-T144 PolarHBondContact O-N 3.5Å; A140-T144 PolarHBondContact O-OG1 2.98Å; A141-T144 WeakPolarHBondContact O-CB 2.99Å; A141-T144 PolarHBondContact O-N 3.4Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 2.8Å; T144-C147 PolarHBondContact O-N 3.38Å; T144-A148 WeakPolarHBondContact O-CB 3.5Å; T144-A148 PolarHBondContact O-N 2.96Å; T144-G156 VanDerWaalsContact N-CA 3.33Å; T144-G156 WeakPolarHBondContact OG1-CA 3.46Å; T144-G156 PolarHBondContact OG1-N 3.3Å
145	Y	94.7	Very high	94.5	Very high	35 Å²	35	24.2 Å²	24.2	14%	0.137	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-39.3	-176.8	-48.1	-43.1	0	0	0	111.5	Y49 I84 H114 A141 L142 A148 V149	Y49-Y145 AromaticContact CD2-CE1 3.96Å; Y49-Y145 HydrophobicContact CD2-CE1 3.96Å; Y49-Y145 HydrophobicContact CD2-CE2 4.19Å; Y49-Y145 AromaticContact CD2-CZ 3.53Å; Y49-Y145 WeakPolarHBondContact CD2-OH 3.29Å; Y49-Y145 HydrophobicContact CE2-CE1 4.04Å; Y49-Y145 AromaticContact CE2-CZ 3.98Å; I84-Y145 HydrophobicContact CG2-CE1 4.34Å; H114-Y145 AromaticContact CE1-CE1 3.86Å; H114-Y145 AromaticContact CE1-CZ 3.7Å; H114-Y145 PolarHBondContact CE1-OH 3.33Å; H114-Y145 PolarHBondContact NE2-OH 3.38Å; A141-Y145 HydrophobicContact CB-CE2 3.85Å; A141-Y145 WeakPolarHBondContact O-CD2 3.43Å; A141-Y145 WeakPolarHBondContact O-CE2 3.35Å; A141-Y145 PolarHBondContact O-N 3.27Å; L142-Y145 PolarHBondContact O-N 2.98Å; Y145-A148 WeakPolarHBondContact O-CB 3.48Å; Y145-A148 PolarHBondContact O-N 3.21Å; Y145-V149 PolarHBondContact O-N 2.62Å
146	K	93	Very high	95	Very high	14 Å²	14	23.2 Å²	23.2	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-50.8	173.5	-178.5	173.4	-56.8	-176	0	112	L142 M143 A148 V149 V150 N382 L404 N407 A408 V411	L142-K146 WeakPolarHBondContact O-CB 3.36Å; L142-K146 PolarHBondContact O-N 3.35Å; M143-K146 HydrophobicContact SD-CD 4.25Å; K146-A148 PolarHBondContact O-N 3.23Å; K146-V149 PolarHBondContact O-N 2.85Å; K146-V149 VanDerWaalsContact O-N 3.15Å; K146-V150 WeakPolarHBondContact O-CG2 3.4Å; K146-V150 PolarHBondContact O-N 2.84Å; K146-N382 PolarHBondContact NZ-OD1 3.48Å; K146-L404 HydrophobicContact CB-CG 4.34Å; K146-L404 WeakPolarHBondContact CG-O 3.41Å; K146-N407 WeakPolarHBondContact CE-OD1 3.21Å; K146-N407 PolarHBondContact NZ-OD1 2.98Å; K146-A408 HydrophobicContact CD-CB 4.29Å; K146-A408 HydrophobicContact CG-CB 3.83Å; K146-V411 HydrophobicContact CD-CG1 4.32Å; K146-V411 HydrophobicContact CG-CG1 4.17Å
147	C	96.1	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-39.2	176.9	-68.2	0	0	0	0	111.5	M143 T144 V149 V150 D151 V152 F154	M143-C147 WeakPolarHBondContact O-CB 3.32Å; M143-C147 PolarHBondContact O-N 3.05Å; M143-C147 PolarHBondContact O-SG 2.87Å; T144-C147 PolarHBondContact O-N 3.38Å; C147-V149 VanDerWaalsContact C-N 3.33Å; C147-V149 PolarHBondContact O-N 2.85Å; C147-V150 PolarHBondContact O-N 2.67Å; C147-D151 PolarHBondContact O-N 2.84Å; C147-D151 VanDerWaalsContact O-N 3.15Å; C147-V152 HydrophobicContact CB-CB 4.22Å; C147-V152 HydrophobicContact CB-CG1 4.48Å; C147-V152 WeakPolarHBondContact CB-O 3.25Å; C147-V152 PolarHBondContact O-N 3.38Å; C147-F154 WeakPolarHBondContact CB-O 3.29Å
148	A	96.6	Very high	95.3	Very high	24 Å²	24	21.7 Å²	21.7	20%	0.198	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-34.3	177.3	0	0	0	0	0	114.1	M1 T144 Y145 K146	M1-A148 HydrophobicContact CE-CB 3.37Å; M1-A148 HydrophobicContact SD-CB 3.2Å; M1-A148 WeakPolarHBondContact SD-CB 3.28Å; T144-A148 WeakPolarHBondContact O-CB 3.5Å; T144-A148 PolarHBondContact O-N 2.96Å; Y145-A148 WeakPolarHBondContact O-CB 3.48Å; Y145-A148 PolarHBondContact O-N 3.21Å; K146-A148 PolarHBondContact O-N 3.23Å
149	V	95.9	Very high	95.7	Very high	76 Å²	76	21.4 Å²	21.4	46%	0.461	12%	0.122	S	C	.	.	H	α-helix	trans	-75.3	-29.9	-178.7	159.4	0	0	0	0	112.8	Y145 K146 C147 L404 Y405	Y145-V149 PolarHBondContact O-N 2.62Å; K146-V149 PolarHBondContact O-N 2.85Å; K146-V149 VanDerWaalsContact O-N 3.15Å; C147-V149 VanDerWaalsContact C-N 3.33Å; C147-V149 PolarHBondContact O-N 2.85Å; V149-L404 HydrophobicContact CB-CD2 3.44Å; V149-L404 VanDerWaalsContact CB-CD2 3.44Å; V149-L404 HydrophobicContact CG1-CD2 3.95Å; V149-L404 HydrophobicContact CG2-CD2 3.16Å; V149-Y405 HydrophobicContact CG1-CD2 4.08Å
150	V	95.8	Very high	96.1	Very high	41 Å²	41	21.1 Å²	21.1	25%	0.248	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	17.2	176.5	-65.7	0	0	0	0	113.5	K146 C147 V152 A408 V411	K146-V150 WeakPolarHBondContact O-CG2 3.4Å; K146-V150 PolarHBondContact O-N 2.84Å; C147-V150 PolarHBondContact O-N 2.67Å; V150-V152 HydrophobicContact CB-CG2 4.47Å; V150-V152 HydrophobicContact CG2-CB 4.15Å; V150-V152 HydrophobicContact CG2-CG2 3.6Å; V150-V152 PolarHBondContact O-N 3.45Å; V150-A408 HydrophobicContact CB-CB 4.34Å; V150-A408 HydrophobicContact CG1-CB 3.43Å; V150-A408 VanDerWaalsContact CG1-CB 3.43Å; V150-A408 HydrophobicContact CG2-CB 3.98Å; V150-V411 HydrophobicContact CG2-CG1 4.15Å
151	D	97.3	Very high	96.2	Very high	147 Å²	147	21.1 Å²	21.1	79%	0.786	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	30.8	-178.7	-73.4	-46.6	0	0	0	114.5	C147	C147-D151 PolarHBondContact O-N 2.84Å; C147-D151 VanDerWaalsContact O-N 3.15Å
152	V	97.2	Very high	96.4	Very high	8 Å²	8	24.8 Å²	24.8	5%	0.048	14%	0.135	C	C	.	.			trans	-79.7	123.2	172.4	170.7	0	0	0	0	108	C147 V150 F154 V411 Y415	C147-V152 HydrophobicContact CB-CB 4.22Å; C147-V152 HydrophobicContact CB-CG1 4.48Å; C147-V152 WeakPolarHBondContact CB-O 3.25Å; C147-V152 PolarHBondContact O-N 3.38Å; V150-V152 HydrophobicContact CB-CG2 4.47Å; V150-V152 HydrophobicContact CG2-CB 4.15Å; V150-V152 HydrophobicContact CG2-CG2 3.6Å; V150-V152 PolarHBondContact O-N 3.45Å; V152-F154 HydrophobicContact CG1-CB 4.37Å; V152-F154 HydrophobicContact CG1-CD2 3.26Å; V152-F154 HydrophobicContact CG1-CE2 3.72Å; V152-F154 HydrophobicContact CG1-CG 3.97Å; V152-F154 PolarHBondContact O-N 2.91Å; V152-V411 HydrophobicContact CG1-CG2 4.34Å; V152-Y415 HydrophobicContact CG1-CG 4.11Å; V152-Y415 HydrophobicContact CG2-CD1 4.43Å
153	P	97.6	Very high	96.6	Very high	44 Å²	44	24.4 Å²	24.4	29%	0.286	13%	0.133	S	C	.	.			trans	-81.4	54.6	-169.2	34.6	-38.3	0	0	0	112.7	R118 Y415	R118-P153 WeakPolarHBondContact CB-O 3.24Å; P153-Y415 HydrophobicContact CG-CD2 4.42Å; P153-Y415 HydrophobicContact CG-CE2 3.69Å
154	F	98.2	Very high	96.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	14%	0.14	C	C	.	.			trans	-123.8	144.9	177.4	-61.7	-40.4	0	0	0	112	P120 K122 C147 V152 Y415 W418	P120-F154 HydrophobicContact CG-CD1 3.79Å; P120-F154 HydrophobicContact CG-CE1 3.58Å; P120-F154 WeakPolarHBondContact O-CA 3.34Å; P120-F154 WeakPolarHBondContact O-CD1 3.47Å; K122-F154 HydrophobicContact CB-CB 3.59Å; K122-F154 HydrophobicContact CB-CD2 3.58Å; K122-F154 HydrophobicContact CB-CE2 4.4Å; K122-F154 HydrophobicContact CB-CG 3.72Å; K122-F154 HydrophobicContact CD-CD2 3.73Å; K122-F154 HydrophobicContact CD-CE2 3.68Å; K122-F154 HydrophobicContact CD-CG 4.39Å; K122-F154 HydrophobicContact CD-CZ 4.29Å; K122-F154 HydrophobicContact CG-CD2 3.61Å; K122-F154 HydrophobicContact CG-CE2 4.05Å; K122-F154 HydrophobicContact CG-CG 4.26Å; C147-F154 WeakPolarHBondContact CB-O 3.29Å; V152-F154 HydrophobicContact CG1-CB 4.37Å; V152-F154 HydrophobicContact CG1-CD2 3.26Å; V152-F154 HydrophobicContact CG1-CE2 3.72Å; V152-F154 HydrophobicContact CG1-CG 3.97Å; V152-F154 PolarHBondContact O-N 2.91Å; F154-Y415 HydrophobicContact CE1-CD2 4.32Å; F154-Y415 AromaticContact CE2-CD2 3.85Å; F154-Y415 HydrophobicContact CE2-CD2 3.85Å; F154-Y415 HydrophobicContact CE2-CG 4.25Å; F154-Y415 AromaticContact CZ-CD2 3.57Å; F154-Y415 HydrophobicContact CZ-CD2 3.57Å; F154-Y415 HydrophobicContact CZ-CE2 4.39Å; F154-Y415 HydrophobicContact CZ-CG 4.4Å; F154-W418 HydrophobicContact CE1-CD2 4.15Å; F154-W418 HydrophobicContact CE1-CE3 4.03Å; F154-W418 HydrophobicContact CE1-CH2 4.47Å; F154-W418 HydrophobicContact CE1-CZ3 4.2Å; F154-W418 HydrophobicContact CZ-CB 4.31Å; F154-W418 AromaticContact CZ-CD2 3.98Å; F154-W418 HydrophobicContact CZ-CD2 3.98Å; F154-W418 AromaticContact CZ-CE3 3.92Å; F154-W418 HydrophobicContact CZ-CE3 3.92Å; F154-W418 HydrophobicContact CZ-CG 4.17Å
155	G	97.7	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	152.4	161	0	0	0	0	0	110.3	S115 R118 P120 T121 K122	S115-G155 WeakPolarHBondContact O-CA 3.36Å; R118-G155 PolarHBondContact O-N 2.9Å; P120-G155 PolarHBondContact O-N 2.89Å; T121-G155 CarbonylContact C-O 3.45Å; T121-G155 WeakPolarHBondContact CA-O 3.24Å; K122-G155 PolarHBondContact N-O 3.25Å
156	G	97.4	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.2	177.4	0	0	0	0	0	112.5	H114 A140 T144	H114-G156 WeakPolarHBondContact CB-O 3.4Å; H114-G156 PolarHBondContact N-O 3.26Å; A140-G156 CarbonylContact O-C 3.48Å; A140-G156 WeakPolarHBondContact O-CA 3.28Å; T144-G156 VanDerWaalsContact N-CA 3.33Å; T144-G156 WeakPolarHBondContact OG1-CA 3.46Å; T144-G156 PolarHBondContact OG1-N 3.3Å
157	A	97.9	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	171.6	166.2	0	0	0	0	0	109.8	A112 Q113 K122 G123 M143	A112-A157 CarbonylContact O-C 3.54Å; A112-A157 WeakPolarHBondContact O-CA 3.33Å; A112-A157 VanDerWaalsContact O-CB 3.26Å; A112-A157 WeakPolarHBondContact O-CB 3.37Å; Q113-A157 HydrophobicContact CG-CB 4.38Å; K122-A157 PolarHBondContact O-N 3.49Å; G123-A157 WeakPolarHBondContact CA-O 3.4Å; M143-A157 WeakPolarHBondContact CG-O 3.25Å
158	K	97.1	Very high	96.6	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.4	166.6	-169.4	79.5	175	-149.3	0	108.2	R111 A112 V136 L139 A140 D200	R111-K158 CarbonylContact C-O 3.18Å; R111-K158 VanDerWaalsContact CA-O 3.28Å; R111-K158 WeakPolarHBondContact CA-O 3.43Å; R111-K158 WeakPolarHBondContact CD-O 3.31Å; R111-K158 VanDerWaalsContact NH1-C 3.26Å; A112-K158 PolarHBondContact N-O 2.7Å; A112-K158 PolarHBondContact O-N 2.94Å; V136-K158 HydrophobicContact CG1-CB 4.11Å; V136-K158 HydrophobicContact CG1-CG 4.43Å; V136-K158 WeakPolarHBondContact CG1-O 3.27Å; V136-K158 WeakPolarHBondContact O-CB 3.48Å; L139-K158 HydrophobicContact CB-CB 3.96Å; L139-K158 HydrophobicContact CB-CD 3.74Å; L139-K158 HydrophobicContact CB-CG 3.54Å; L139-K158 HydrophobicContact CD1-CD 4.29Å; L139-K158 HydrophobicContact CD1-CG 4.19Å; A140-K158 HydrophobicContact CB-CB 3.94Å; K158-D200 IonicContact NZ-OD1 3.48Å; K158-D200 PolarHBondContact NZ-OD1 3.36Å; K158-D200 IonicContact NZ-OD2 3.97Å; K158-D200 PolarHBondContact NZ-OD2 2.84Å
159	G	97.4	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	167.1	167.3	0	0	0	0	0	111.8	F110 G124 I125 R126	F110-G159 CarbonylContact O-C 3.41Å; F110-G159 WeakPolarHBondContact O-CA 3.19Å; G124-G159 PolarHBondContact O-N 3.43Å; I125-G159 WeakPolarHBondContact CA-O 3.42Å; R126-G159 PolarHBondContact N-O 2.71Å
160	G	97.2	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154.1	173.1	0	0	0	0	0	111.6	G109 F110 R126	G109-G160 CarbonylContact C-O 3.59Å; G109-G160 VanDerWaalsContact CA-O 3.29Å; G109-G160 WeakPolarHBondContact CA-O 3.4Å; F110-G160 PolarHBondContact N-O 2.96Å; F110-G160 PolarHBondContact O-N 2.88Å; R126-G160 CarbonylContact O-C 3.46Å; R126-G160 WeakPolarHBondContact O-CA 3.48Å
161	I	98.1	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	171	-52.7	-172.6	0	0	0	106.8	I107 R126 Y127 S128 I163 I176 F180	I107-I161 HydrophobicContact CG2-CG2 3.28Å; R126-I161 PolarHBondContact O-N 3.39Å; Y127-I161 HydrophobicContact CD1-CB 3.75Å; Y127-I161 HydrophobicContact CD1-CD1 4.16Å; Y127-I161 HydrophobicContact CD1-CG1 3.98Å; Y127-I161 HydrophobicContact CE1-CB 3.85Å; Y127-I161 HydrophobicContact CE1-CD1 3.34Å; Y127-I161 HydrophobicContact CE1-CG1 3.6Å; S128-I161 PolarHBondContact N-O 3.14Å; I161-I163 VanDerWaalsContact C-N 3.27Å; I161-I163 HydrophobicContact CB-CG1 4.33Å; I161-I163 HydrophobicContact CG2-CD1 4.16Å; I161-I163 HydrophobicContact CG2-CG1 4.01Å; I161-I163 HydrophobicContact CG2-CG2 4.05Å; I161-I163 PolarHBondContact O-N 2.84Å; I161-I176 HydrophobicContact CD1-CG2 3.98Å; I161-I176 HydrophobicContact CG2-CG2 4.15Å; I161-F180 HydrophobicContact CD1-CB 3.74Å; I161-F180 HydrophobicContact CD1-CD1 3.54Å; I161-F180 HydrophobicContact CD1-CD2 4.29Å; I161-F180 HydrophobicContact CD1-CE1 4.15Å; I161-F180 HydrophobicContact CD1-CG 3.61Å; I161-F180 HydrophobicContact CG1-CD1 3.86Å; I161-F180 HydrophobicContact CG1-CD2 4.37Å; I161-F180 HydrophobicContact CG1-CE1 3.94Å; I161-F180 HydrophobicContact CG1-CE2 4.47Å; I161-F180 HydrophobicContact CG1-CG 4.07Å; I161-F180 HydrophobicContact CG1-CZ 4.25Å
162	K	97.4	Very high	96.7	Very high	86 Å²	86	35.2 Å²	35.2	37%	0.374	19%	0.191	S	C	.	.			trans	-80.5	74.2	-175.8	-164.5	176.5	-174.3	173.3	0	111.2	Q108 S128 M129 V131	Q108-K162 HydrophobicContact CB-CB 4.38Å; Q108-K162 PolarHBondContact O-N 3.39Å; S128-K162 WeakPolarHBondContact O-CA 3.45Å; M129-K162 WeakPolarHBondContact O-CE 3.16Å; V131-K162 HydrophobicContact CB-CB 4.43Å
163	I	96.9	Very high	96.7	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.19	C	C	.	.	S	Bend	trans	-140.9	152.8	179.4	58.7	172.9	0	0	0	110.5	I107 Y127 S128 M129 I161 L173 I176	I107-I163 HydrophobicContact CD1-CG2 3.75Å; I107-I163 HydrophobicContact CG2-CG2 4.03Å; Y127-I163 CarbonylContact C-O 3.58Å; Y127-I163 HydrophobicContact CD1-CD1 4.38Å; Y127-I163 HydrophobicContact CD1-CG1 4.47Å; Y127-I163 HydrophobicContact CD2-CD1 3.94Å; Y127-I163 HydrophobicContact CD2-CG1 4.5Å; Y127-I163 HydrophobicContact CE2-CD1 4.27Å; Y127-I163 HydrophobicContact CG-CD1 4Å; Y127-I163 HydrophobicContact CG-CG1 4.11Å; S128-I163 CarbonylContact C-O 3.48Å; S128-I163 WeakPolarHBondContact CA-O 3.49Å; S128-I163 PolarHBondContact N-O 3.02Å; S128-I163 VanDerWaalsContact N-O 3.16Å; S128-I163 PolarHBondContact O-N 2.84Å; M129-I163 PolarHBondContact N-O 2.84Å; I161-I163 VanDerWaalsContact C-N 3.27Å; I161-I163 HydrophobicContact CB-CG1 4.33Å; I161-I163 HydrophobicContact CG2-CD1 4.16Å; I161-I163 HydrophobicContact CG2-CG1 4.01Å; I161-I163 HydrophobicContact CG2-CG2 4.05Å; I161-I163 PolarHBondContact O-N 2.84Å; I163-L173 HydrophobicContact CD1-CD2 3.93Å; I163-I176 HydrophobicContact CD1-CD1 4.39Å; I163-I176 HydrophobicContact CD1-CG2 4.28Å
164	N	95.3	Very high	96.7	Very high	50 Å²	50	36.1 Å²	36.1	27%	0.267	19%	0.191	S	C	.	.			trans	-91.6	112.4	160.6	174.5	11.6	0	0	0	108.4	M129 K166 D167 H168	M129-N164 HydrophobicContact CG-CB 3.99Å; N164-K166 PolarHBondContact O-N 2.52Å; N164-K166 WeakPolarHBondContact OD1-CB 2.91Å; N164-K166 PolarHBondContact OD1-N 2.81Å; N164-D167 VanDerWaalsContact CB-OD2 3.3Å; N164-D167 WeakPolarHBondContact CB-OD2 3.5Å; N164-D167 PolarHBondContact ND2-OD1 3.35Å; N164-D167 VanDerWaalsContact ND2-OD1 3.12Å; N164-D167 PolarHBondContact ND2-OD2 3.34Å; N164-D167 PolarHBondContact O-N 2.97Å; N164-D167 VanDerWaalsContact O-N 3.08Å; N164-H168 PolarHBondContact O-CD2 2.91Å
165	P	94.6	Very high	96.7	Very high	33 Å²	33	40.7 Å²	40.7	21%	0.214	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-64.3	-16.1	-175.5	25.9	-34.2	0	0	0	113.9	Y127 D167 L173	Y127-P165 HydrophobicContact CD2-CB 4.28Å; P165-D167 VanDerWaalsContact C-N 3.31Å; P165-L173 HydrophobicContact CB-CD1 4.46Å; P165-L173 HydrophobicContact CB-CD2 4.25Å
166	K	93.1	Very high	96.7	Very high	185 Å²	185	40.7 Å²	40.7	80%	0.804	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-74	-22.1	176.7	-61.9	-178.6	179.5	-180	0	113.2	N164 H168	N164-K166 PolarHBondContact O-N 2.52Å; N164-K166 WeakPolarHBondContact OD1-CB 2.91Å; N164-K166 PolarHBondContact OD1-N 2.81Å; K166-H168 VanDerWaalsContact C-N 3.25Å; K166-H168 PolarHBondContact O-N 3.16Å
167	D	94.3	Very high	96.8	Very high	117 Å²	117	40.7 Å²	40.7	63%	0.626	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-88.5	3.7	-177.1	-57.7	-21.4	0	0	0	112.2	N164 P165	N164-D167 VanDerWaalsContact CB-OD2 3.3Å; N164-D167 WeakPolarHBondContact CB-OD2 3.5Å; N164-D167 PolarHBondContact ND2-OD1 3.35Å; N164-D167 VanDerWaalsContact ND2-OD1 3.12Å; N164-D167 PolarHBondContact ND2-OD2 3.34Å; N164-D167 PolarHBondContact O-N 2.97Å; N164-D167 VanDerWaalsContact O-N 3.08Å; P165-D167 VanDerWaalsContact C-N 3.31Å
168	H	95.4	Very high	96.8	Very high	30 Å²	30	43.5 Å²	43.5	14%	0.139	22%	0.219	C	C	.	.	S	Bend	trans	-124.1	140.9	-175	-69.9	-71.4	0	0	0	111.5	N164 K166 E172 L173	N164-H168 PolarHBondContact O-CD2 2.91Å; K166-H168 VanDerWaalsContact C-N 3.25Å; K166-H168 PolarHBondContact O-N 3.16Å; H168-E172 WeakPolarHBondContact CA-OE2 3.08Å; H168-E172 HydrophobicContact CB-CB 4.11Å; H168-E172 IonicContact CE1-OE2 3Å; H168-E172 IonicContact CG-OE2 2.75Å; H168-E172 IonicContact ND1-OE2 3.18Å; H168-E172 PolarHBondContact ND1-OE2 2.88Å; H168-L173 HydrophobicContact CB-CD2 3.71Å; H168-L173 HydrophobicContact CB-CG 3.78Å
169	S	96.4	Very high	96.9	Very high	32 Å²	32	47.5 Å²	47.5	22%	0.224	23%	0.234	C	C	.	.			trans	-68.8	159.4	171.3	83	0	0	0	0	111	D100 A171 E172 L173	D100-S169 WeakPolarHBondContact OD2-CB 3.3Å; D100-S169 PolarHBondContact OD2-OG 3.03Å; S169-A171 PolarHBondContact O-N 2.77Å; S169-A171 PolarHBondContact OG-N 3.18Å; S169-E172 PolarHBondContact O-N 3.34Å; S169-E172 VanDerWaalsContact O-N 3.09Å; S169-E172 PolarHBondContact OG-N 3.2Å; S169-L173 WeakPolarHBondContact O-CG 3.46Å; S169-L173 PolarHBondContact O-N 2.88Å
170	P	96.2	Very high	96.9	Very high	81 Å²	81	47.6 Å²	47.6	53%	0.526	24%	0.235	S	C	.	.	H	α-helix	trans	-55.1	-34.8	173	-27	35.6	0	0	0	113.3	E174	P170-E174 PolarHBondContact O-N 2.89Å
171	A	97	Very high	97	Very high	45 Å²	45	47.8 Å²	47.8	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-71.7	-37.4	178	0	0	0	0	0	111.8	S169 R175	S169-A171 PolarHBondContact O-N 2.77Å; S169-A171 PolarHBondContact OG-N 3.18Å; A171-R175 WeakPolarHBondContact O-CG 3.45Å; A171-R175 PolarHBondContact O-N 3.42Å; A171-R175 VanDerWaalsContact O-N 3.14Å; A171-R175 PolarHBondContact O-NH1 2.86Å
172	E	97.4	Very high	97	Very high	15 Å²	15	50 Å²	50	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-48.3	172.2	-76.2	-175.5	173.6	0	0	111.6	A99 D100 H168 S169 E174 R175 I176	A99-E172 WeakPolarHBondContact CA-OE1 3.04Å; A99-E172 VanDerWaalsContact CB-OE1 3.3Å; A99-E172 WeakPolarHBondContact CB-OE1 3.45Å; D100-E172 PolarHBondContact N-OE1 3.07Å; H168-E172 WeakPolarHBondContact CA-OE2 3.08Å; H168-E172 HydrophobicContact CB-CB 4.11Å; H168-E172 IonicContact CE1-OE2 3Å; H168-E172 IonicContact CG-OE2 2.75Å; H168-E172 IonicContact ND1-OE2 3.18Å; H168-E172 PolarHBondContact ND1-OE2 2.88Å; S169-E172 PolarHBondContact O-N 3.34Å; S169-E172 VanDerWaalsContact O-N 3.09Å; S169-E172 PolarHBondContact OG-N 3.2Å; E172-E174 VanDerWaalsContact C-N 3.26Å; E172-E174 PolarHBondContact O-N 2.91Å; E172-R175 VanDerWaalsContact CG-NH2 3.34Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.11Å; E172-I176 VanDerWaalsContact O-CG1 3.29Å; E172-I176 WeakPolarHBondContact O-CG1 3.06Å; E172-I176 PolarHBondContact O-N 2.98Å
173	L	98	Very high	97	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-41.2	177.6	-70.9	177	0	0	0	111.4	Y127 I163 P165 H168 S169 I176 T177 W210	Y127-L173 HydrophobicContact CD2-CD2 4.39Å; Y127-L173 HydrophobicContact CE2-CD2 4.31Å; I163-L173 HydrophobicContact CD1-CD2 3.93Å; P165-L173 HydrophobicContact CB-CD1 4.46Å; P165-L173 HydrophobicContact CB-CD2 4.25Å; H168-L173 HydrophobicContact CB-CD2 3.71Å; H168-L173 HydrophobicContact CB-CG 3.78Å; S169-L173 WeakPolarHBondContact O-CG 3.46Å; S169-L173 PolarHBondContact O-N 2.88Å; L173-I176 PolarHBondContact O-N 3.38Å; L173-T177 VanDerWaalsContact O-CB 3.3Å; L173-T177 WeakPolarHBondContact O-CB 3.47Å; L173-T177 PolarHBondContact O-N 3.45Å; L173-T177 PolarHBondContact O-OG1 3.34Å; L173-W210 HydrophobicContact CB-CH2 4.2Å; L173-W210 HydrophobicContact CB-CZ3 4.04Å
174	E	98.2	Very high	97.1	Very high	65 Å²	65	47 Å²	47	30%	0.304	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-51.8	174.1	-178.3	167.9	-174.9	0	0	111.4	P170 E172 I176 T177 R178 W210	P170-E174 PolarHBondContact O-N 2.89Å; E172-E174 VanDerWaalsContact C-N 3.26Å; E172-E174 PolarHBondContact O-N 2.91Å; E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3.47Å; E174-T177 PolarHBondContact O-N 2.87Å; E174-R178 HydrophobicContact CG-CG 4.17Å; E174-R178 WeakPolarHBondContact O-CB 3.47Å; E174-R178 VanDerWaalsContact O-CG 3.24Å; E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 3.39Å; E174-R178 IonicContact OE1-CZ 2.8Å; E174-R178 VanDerWaalsContact OE1-CZ 3.28Å; E174-R178 IonicContact OE1-NE 2.59Å; E174-R178 PolarHBondContact OE1-NE 3.48Å; E174-R178 IonicContact OE1-NH2 3.9Å; E174-R178 PolarHBondContact OE1-NH2 3.26Å; E174-W210 HydrophobicContact CB-CD2 4Å; E174-W210 HydrophobicContact CB-CE3 4.2Å; E174-W210 HydrophobicContact CB-CH2 3.88Å; E174-W210 HydrophobicContact CB-CZ2 3.64Å; E174-W210 HydrophobicContact CB-CZ3 4.16Å; E174-W210 HydrophobicContact CG-CD2 3.9Å; E174-W210 HydrophobicContact CG-CG 4.05Å; E174-W210 HydrophobicContact CG-CZ2 4.16Å
175	R	97.9	Very high	97.2	Very high	98 Å²	98	45.1 Å²	45.1	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-42.2	179.4	-68.4	-171.5	-55.4	-92.8	14.3	111.9	K98 D100 A171 E172 R179	K98-R175 PolarHBondContact O-NH2 3.34Å; D100-R175 IonicContact OD1-CZ 3.03Å; D100-R175 IonicContact OD1-NH1 3.61Å; D100-R175 PolarHBondContact OD1-NH1 2.98Å; D100-R175 IonicContact OD1-NH2 3.32Å; D100-R175 PolarHBondContact OD1-NH2 3.34Å; A171-R175 WeakPolarHBondContact O-CG 3.45Å; A171-R175 PolarHBondContact O-N 3.42Å; A171-R175 VanDerWaalsContact O-N 3.14Å; A171-R175 PolarHBondContact O-NH1 2.86Å; E172-R175 VanDerWaalsContact CG-NH2 3.34Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-R179 VanDerWaalsContact O-CB 3.23Å; R175-R179 WeakPolarHBondContact O-CB 3.38Å; R175-R179 PolarHBondContact O-N 2.85Å
176	I	98.2	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-50.5	176.8	-67.2	167.5	0	0	0	110.3	F95 H97 I107 I161 I163 E172 L173 E174 R178 R179 F180	F95-I176 HydrophobicContact CE2-CG2 4.15Å; F95-I176 HydrophobicContact CZ-CG2 4.03Å; H97-I176 HydrophobicContact CB-CG1 4.43Å; H97-I176 WeakPolarHBondContact ND1-CG1 3.3Å; I107-I176 HydrophobicContact CD1-CD1 4.49Å; I107-I176 HydrophobicContact CG1-CD1 4.48Å; I107-I176 HydrophobicContact CG1-CG1 4.43Å; I107-I176 HydrophobicContact CG2-CG2 4.27Å; I161-I176 HydrophobicContact CD1-CG2 3.98Å; I161-I176 HydrophobicContact CG2-CG2 4.15Å; I163-I176 HydrophobicContact CD1-CD1 4.39Å; I163-I176 HydrophobicContact CD1-CG2 4.28Å; E172-I176 VanDerWaalsContact O-CG1 3.29Å; E172-I176 WeakPolarHBondContact O-CG1 3.06Å; E172-I176 PolarHBondContact O-N 2.98Å; L173-I176 PolarHBondContact O-N 3.38Å; E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3.47Å; I176-R178 PolarHBondContact O-N 3.06Å; I176-R179 PolarHBondContact O-N 3.4Å; I176-F180 WeakPolarHBondContact O-CB 3.35Å; I176-F180 PolarHBondContact O-N 3.01Å
177	T	98.5	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-49.8	-178	-53.6	0	0	0	0	111.4	Y127 L173 E174 F180 A181 E207 W210 I211	Y127-T177 PolarHBondContact OH-OG1 3.29Å; L173-T177 VanDerWaalsContact O-CB 3.3Å; L173-T177 WeakPolarHBondContact O-CB 3.47Å; L173-T177 PolarHBondContact O-N 3.45Å; L173-T177 PolarHBondContact O-OG1 3.34Å; E174-T177 PolarHBondContact O-N 2.87Å; T177-F180 PolarHBondContact O-N 3.26Å; T177-A181 WeakPolarHBondContact O-CB 3.42Å; T177-A181 PolarHBondContact O-N 2.95Å; T177-E207 HydrophobicContact CG2-CB 4.19Å; T177-W210 HydrophobicContact CG2-CB 4.11Å; T177-W210 HydrophobicContact CG2-CE3 4.11Å; T177-I211 HydrophobicContact CG2-CD1 4.11Å; T177-I211 HydrophobicContact CG2-CG1 3.65Å
178	R	98.4	Very high	97.7	Very high	59 Å²	59	42.4 Å²	42.4	22%	0.223	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-41.6	-178.9	-66.9	-175.5	173.8	-88.8	14.2	111.4	E174 I176 A181 L182 W210 D213 T214	E174-R178 HydrophobicContact CG-CG 4.17Å; E174-R178 WeakPolarHBondContact O-CB 3.47Å; E174-R178 VanDerWaalsContact O-CG 3.24Å; E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 3.39Å; E174-R178 IonicContact OE1-CZ 2.8Å; E174-R178 VanDerWaalsContact OE1-CZ 3.28Å; E174-R178 IonicContact OE1-NE 2.59Å; E174-R178 PolarHBondContact OE1-NE 3.48Å; E174-R178 IonicContact OE1-NH2 3.9Å; E174-R178 PolarHBondContact OE1-NH2 3.26Å; I176-R178 PolarHBondContact O-N 3.06Å; R178-A181 PolarHBondContact O-N 3.08Å; R178-L182 PolarHBondContact O-N 3.17Å; R178-L182 VanDerWaalsContact O-N 3.08Å; R178-W210 HydrophobicContact CG-CB 4.13Å; R178-D213 IonicContact CZ-OD2 2.79Å; R178-D213 VanDerWaalsContact CZ-OD2 3.22Å; R178-D213 IonicContact NH1-OD2 3.59Å; R178-D213 PolarHBondContact NH1-OD2 2.87Å; R178-D213 IonicContact NH2-OD2 3.6Å; R178-D213 PolarHBondContact NH2-OD2 3.43Å; R178-T214 HydrophobicContact CB-CG2 4.49Å; R178-T214 WeakPolarHBondContact CB-OG1 3.31Å; R178-T214 WeakPolarHBondContact CG-OG1 3.35Å; R178-T214 PolarHBondContact NH1-OG1 2.86Å
179	R	98.2	Very high	97.8	Very high	89 Å²	89	41.9 Å²	41.9	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-46.1	175.9	179.7	56.7	-174.6	-92.5	4.5	111.1	F95 R175 I176 A181 L182 E183	F95-R179 HydrophobicContact CB-CG 4.15Å; F95-R179 HydrophobicContact CD2-CB 4.09Å; F95-R179 HydrophobicContact CD2-CG 3.41Å; F95-R179 VanDerWaalsContact CD2-CG 3.41Å; F95-R179 HydrophobicContact CE2-CB 4.13Å; F95-R179 HydrophobicContact CE2-CG 3.96Å; F95-R179 HydrophobicContact CG-CG 3.91Å; R175-R179 VanDerWaalsContact O-CB 3.23Å; R175-R179 WeakPolarHBondContact O-CB 3.38Å; R175-R179 PolarHBondContact O-N 2.85Å; I176-R179 PolarHBondContact O-N 3.4Å; R179-A181 PolarHBondContact O-N 3.1Å; R179-L182 PolarHBondContact O-N 2.75Å; R179-E183 IonicContact CZ-OE1 3.24Å; R179-E183 VanDerWaalsContact CZ-OE1 3.24Å; R179-E183 IonicContact NE-OE1 2.74Å; R179-E183 PolarHBondContact NE-OE1 2.94Å; R179-E183 IonicContact NH2-OE1 2.85Å; R179-E183 PolarHBondContact NH2-OE1 3.12Å; R179-E183 WeakPolarHBondContact O-CG 3.48Å; R179-E183 PolarHBondContact O-N 2.93Å; R179-E183 VanDerWaalsContact O-N 3.1Å
180	F	98.4	Very high	97.9	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-44.1	176.8	-174.7	-120.5	0	0	0	111.8	V93 F95 I125 I161 I176 T177 L182 E183 L184	V93-F180 HydrophobicContact CG1-CD2 3.9Å; V93-F180 HydrophobicContact CG1-CE2 3.73Å; F95-F180 HydrophobicContact CE1-CB 4.16Å; F95-F180 AromaticContact CE1-CD2 3.81Å; F95-F180 HydrophobicContact CE1-CD2 3.81Å; F95-F180 HydrophobicContact CE1-CG 4.41Å; F95-F180 HydrophobicContact CZ-CB 3.98Å; F95-F180 HydrophobicContact CZ-CD2 4.42Å; I125-F180 HydrophobicContact CD1-CE1 4.19Å; I125-F180 HydrophobicContact CG1-CE1 4.5Å; I125-F180 HydrophobicContact CG2-CE1 4.22Å; I161-F180 HydrophobicContact CD1-CB 3.74Å; I161-F180 HydrophobicContact CD1-CD1 3.54Å; I161-F180 HydrophobicContact CD1-CD2 4.29Å; I161-F180 HydrophobicContact CD1-CE1 4.15Å; I161-F180 HydrophobicContact CD1-CG 3.61Å; I161-F180 HydrophobicContact CG1-CD1 3.86Å; I161-F180 HydrophobicContact CG1-CD2 4.37Å; I161-F180 HydrophobicContact CG1-CE1 3.94Å; I161-F180 HydrophobicContact CG1-CE2 4.47Å; I161-F180 HydrophobicContact CG1-CG 4.07Å; I161-F180 HydrophobicContact CG1-CZ 4.25Å; I176-F180 WeakPolarHBondContact O-CB 3.35Å; I176-F180 PolarHBondContact O-N 3.01Å; T177-F180 PolarHBondContact O-N 3.26Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 2.85Å; F180-E183 PolarHBondContact O-N 2.87Å; F180-E183 VanDerWaalsContact O-N 3.15Å; F180-L184 HydrophobicContact CD1-CD1 3.93Å; F180-L184 HydrophobicContact CD1-CG 4.29Å; F180-L184 HydrophobicContact CD2-CG 4.45Å; F180-L184 HydrophobicContact CE1-CD1 3.56Å; F180-L184 HydrophobicContact CE1-CD2 4.33Å; F180-L184 HydrophobicContact CE1-CG 4.07Å; F180-L184 HydrophobicContact CE2-CD2 3.97Å; F180-L184 HydrophobicContact CE2-CG 4.21Å; F180-L184 HydrophobicContact CG-CG 4.5Å; F180-L184 HydrophobicContact CZ-CD1 3.92Å; F180-L184 HydrophobicContact CZ-CD2 3.81Å; F180-L184 HydrophobicContact CZ-CG 4.03Å; F180-L184 WeakPolarHBondContact O-CG 3.35Å; F180-L184 PolarHBondContact O-N 2.87Å
181	A	98.4	Very high	98	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-57.3	-41.3	176.2	0	0	0	0	0	112.7	T177 R178 R179 L184 A185 L190 I211 T214	T177-A181 WeakPolarHBondContact O-CB 3.42Å; T177-A181 PolarHBondContact O-N 2.95Å; R178-A181 PolarHBondContact O-N 3.08Å; R179-A181 PolarHBondContact O-N 3.1Å; A181-L184 PolarHBondContact O-N 3.09Å; A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.45Å; A181-L190 HydrophobicContact CB-CD2 4Å; A181-L190 WeakPolarHBondContact O-CD2 3.34Å; A181-I211 HydrophobicContact CB-CG1 4.23Å; A181-I211 HydrophobicContact CB-CG2 4.28Å; A181-T214 HydrophobicContact CB-CG2 4.13Å
182	L	98.1	Very high	98	Very high	47 Å²	47	35 Å²	35	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-43.8	175	-74.9	171.5	0	0	0	112.4	R178 R179 F180 A185 K186 T214 T218	R178-L182 PolarHBondContact O-N 3.17Å; R178-L182 VanDerWaalsContact O-N 3.08Å; R179-L182 PolarHBondContact O-N 2.75Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 2.85Å; L182-A185 PolarHBondContact O-N 3.13Å; L182-K186 WeakPolarHBondContact O-CB 3.48Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.4Å; L182-K186 PolarHBondContact O-N 3.3Å; L182-T214 HydrophobicContact CD1-CG2 4.39Å; L182-T214 HydrophobicContact CD2-CG2 3.85Å; L182-T214 HydrophobicContact CG-CG2 3.65Å; L182-T218 HydrophobicContact CD2-CG2 4.09Å; L182-T218 WeakPolarHBondContact CD2-OG1 3.46Å
183	E	98.3	Very high	98	Very high	26 Å²	26	36.5 Å²	36.5	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-41.5	177.8	-61.4	-56.2	159.5	0	0	111.4	F91 V93 R179 F180 Q187	F91-E183 HydrophobicContact CE1-CB 4.38Å; V93-E183 HydrophobicContact CG2-CB 4.04Å; V93-E183 HydrophobicContact CG2-CG 3.97Å; R179-E183 IonicContact CZ-OE1 3.24Å; R179-E183 VanDerWaalsContact CZ-OE1 3.24Å; R179-E183 IonicContact NE-OE1 2.74Å; R179-E183 PolarHBondContact NE-OE1 2.94Å; R179-E183 IonicContact NH2-OE1 2.85Å; R179-E183 PolarHBondContact NH2-OE1 3.12Å; R179-E183 WeakPolarHBondContact O-CG 3.48Å; R179-E183 PolarHBondContact O-N 2.93Å; R179-E183 VanDerWaalsContact O-N 3.1Å; F180-E183 PolarHBondContact O-N 2.87Å; F180-E183 VanDerWaalsContact O-N 3.15Å; E183-Q187 WeakPolarHBondContact O-CG 3.3Å; E183-Q187 PolarHBondContact O-N 2.93Å
184	L	98.4	Very high	98	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-46.7	173.8	-65.5	-174.4	0	0	0	111.9	F91 R111 I125 F180 A181 K186 Q187 G188 F189 L190	F91-L184 HydrophobicContact CD1-CD2 3.86Å; F91-L184 HydrophobicContact CE1-CD2 4.16Å; R111-L184 HydrophobicContact CB-CD2 3.67Å; R111-L184 HydrophobicContact CG-CD2 4.21Å; I125-L184 HydrophobicContact CD1-CD1 4.44Å; F180-L184 HydrophobicContact CD1-CD1 3.93Å; F180-L184 HydrophobicContact CD1-CG 4.29Å; F180-L184 HydrophobicContact CD2-CG 4.45Å; F180-L184 HydrophobicContact CE1-CD1 3.56Å; F180-L184 HydrophobicContact CE1-CD2 4.33Å; F180-L184 HydrophobicContact CE1-CG 4.07Å; F180-L184 HydrophobicContact CE2-CD2 3.97Å; F180-L184 HydrophobicContact CE2-CG 4.21Å; F180-L184 HydrophobicContact CG-CG 4.5Å; F180-L184 HydrophobicContact CZ-CD1 3.92Å; F180-L184 HydrophobicContact CZ-CD2 3.81Å; F180-L184 HydrophobicContact CZ-CG 4.03Å; F180-L184 WeakPolarHBondContact O-CG 3.35Å; F180-L184 PolarHBondContact O-N 2.87Å; A181-L184 PolarHBondContact O-N 3.09Å; L184-K186 PolarHBondContact O-N 3.45Å; L184-Q187 PolarHBondContact O-N 3.21Å; L184-G188 PolarHBondContact O-N 3.09Å; L184-G188 VanDerWaalsContact O-N 3.16Å; L184-F189 HydrophobicContact CB-CB 4.08Å; L184-F189 HydrophobicContact CD2-CB 3.85Å; L184-F189 HydrophobicContact CG-CB 4.5Å; L184-F189 WeakPolarHBondContact O-CA 3.48Å; L184-F189 PolarHBondContact O-N 3.41Å; L184-L190 HydrophobicContact CB-CB 3.83Å
185	A	98.1	Very high	98	Very high	11 Å²	11	35.5 Å²	35.5	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-44.4	-178.5	0	0	0	0	0	111.9	A181 L182 Q187 G188 L190 Y215 V219	A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.45Å; L182-A185 PolarHBondContact O-N 3.13Å; A185-Q187 PolarHBondContact O-N 3Å; A185-G188 PolarHBondContact O-N 2.83Å; A185-L190 HydrophobicContact CB-CB 4.28Å; A185-L190 HydrophobicContact CB-CD2 4.31Å; A185-Y215 HydrophobicContact CB-CD2 4.03Å; A185-Y215 HydrophobicContact CB-CE2 4.19Å; A185-V219 HydrophobicContact CB-CB 4.23Å; A185-V219 HydrophobicContact CB-CG1 4.47Å; A185-V219 HydrophobicContact CB-CG2 3.84Å
186	K	97.2	Very high	98	Very high	129 Å²	129	30.9 Å²	30.9	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-59.7	-32.7	177.9	-73.6	172.3	-174.7	177.8	0	113	L182 L184	L182-K186 WeakPolarHBondContact O-CB 3.48Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.4Å; L182-K186 PolarHBondContact O-N 3.3Å; L184-K186 PolarHBondContact O-N 3.45Å
187	Q	97.3	Very high	98	Very high	113 Å²	113	30.9 Å²	30.9	53%	0.528	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.2	-177.5	-59.6	-59.3	-32.1	0	0	113.6	F91 E183 L184 A185 F189	F91-Q187 HydrophobicContact CD2-CB 4.47Å; F91-Q187 HydrophobicContact CD2-CG 4.34Å; F91-Q187 HydrophobicContact CE1-CB 4.32Å; F91-Q187 HydrophobicContact CE1-CG 4.14Å; F91-Q187 HydrophobicContact CE2-CB 4.27Å; F91-Q187 HydrophobicContact CE2-CG 3.69Å; F91-Q187 HydrophobicContact CZ-CB 4.18Å; F91-Q187 HydrophobicContact CZ-CG 3.57Å; E183-Q187 WeakPolarHBondContact O-CG 3.3Å; E183-Q187 PolarHBondContact O-N 2.93Å; L184-Q187 PolarHBondContact O-N 3.21Å; A185-Q187 PolarHBondContact O-N 3Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 VanDerWaalsContact O-CD2 3.28Å; Q187-F189 WeakPolarHBondContact O-CD2 3.09Å
188	G	96.8	Very high	97.9	Very high	35 Å²	35	31.1 Å²	31.1	36%	0.361	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	19.5	178.3	0	0	0	0	0	115.1	L184 A185	L184-G188 PolarHBondContact O-N 3.09Å; L184-G188 VanDerWaalsContact O-N 3.16Å; A185-G188 PolarHBondContact O-N 2.83Å
189	F	98.4	Very high	97.6	Very high	19 Å²	19	29.5 Å²	29.5	8%	0.083	17%	0.165	C	C	.	.	S	Bend	trans	-101.5	12.3	176.5	-76	-95.2	0	0	0	113.5	H89 F91 R111 Q113 L184 Q187 D195	H89-F189 HydrophobicContact CB-CE1 4.05Å; H89-F189 HydrophobicContact CB-CZ 3.65Å; F91-F189 HydrophobicContact CB-CD1 4.19Å; F91-F189 HydrophobicContact CB-CD2 3.79Å; F91-F189 HydrophobicContact CB-CE1 3.84Å; F91-F189 HydrophobicContact CB-CE2 3.45Å; F91-F189 VanDerWaalsContact CB-CE2 3.45Å; F91-F189 HydrophobicContact CB-CG 4.15Å; F91-F189 HydrophobicContact CB-CZ 3.44Å; F91-F189 VanDerWaalsContact CB-CZ 3.44Å; F91-F189 HydrophobicContact CD1-CD2 4.28Å; F91-F189 HydrophobicContact CG-CD2 4.14Å; F91-F189 HydrophobicContact CG-CE2 4.1Å; R111-F189 HydrophobicContact CB-CB 4.47Å; R111-F189 HydrophobicContact CB-CD1 3.87Å; R111-F189 HydrophobicContact CB-CG 4.42Å; R111-F189 HydrophobicContact CG-CB 4.14Å; R111-F189 HydrophobicContact CG-CD1 3.59Å; R111-F189 HydrophobicContact CG-CE1 4.47Å; R111-F189 HydrophobicContact CG-CG 4.28Å; R111-F189 WeakPolarHBondContact O-CE1 3.47Å; Q113-F189 HydrophobicContact CB-CE1 4.43Å; Q113-F189 HydrophobicContact CG-CD1 3.88Å; Q113-F189 HydrophobicContact CG-CE1 3.81Å; L184-F189 HydrophobicContact CB-CB 4.08Å; L184-F189 HydrophobicContact CD2-CB 3.85Å; L184-F189 HydrophobicContact CG-CB 4.5Å; L184-F189 WeakPolarHBondContact O-CA 3.48Å; L184-F189 PolarHBondContact O-N 3.41Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 VanDerWaalsContact O-CD2 3.28Å; Q187-F189 WeakPolarHBondContact O-CD2 3.09Å; F189-D195 WeakPolarHBondContact O-CB 3.19Å
190	L	98.5	Very high	97.2	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-149.6	128.8	172	178.3	64.9	0	0	0	109.8	A181 L184 A185 D195 P197 I211 Y215 C229	A181-L190 HydrophobicContact CB-CD2 4Å; A181-L190 WeakPolarHBondContact O-CD2 3.34Å; L184-L190 HydrophobicContact CB-CB 3.83Å; A185-L190 HydrophobicContact CB-CB 4.28Å; A185-L190 HydrophobicContact CB-CD2 4.31Å; L190-D195 WeakPolarHBondContact CA-O 3.48Å; L190-P197 HydrophobicContact CD1-CG 3.68Å; L190-I211 HydrophobicContact CD1-CG2 3.96Å; L190-I211 HydrophobicContact CD2-CG2 3.89Å; L190-Y215 HydrophobicContact CD2-CD2 3.82Å; L190-Y215 HydrophobicContact CD2-CG 4.38Å; L190-Y215 HydrophobicContact CG-CD2 3.79Å; L190-Y215 HydrophobicContact CG-CE2 4.26Å; L190-Y215 HydrophobicContact CG-CG 4.48Å; L190-Y215 WeakPolarHBondContact O-CE2 3.2Å; L190-C229 HydrophobicContact CD1-CB 4.25Å; L190-C229 WeakPolarHBondContact CD1-O 3.41Å
191	G	97.9	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	160.4	152.5	174.2	0	0	0	0	0	112.7	G193 T194 D195 Y215	G191-G193 PolarHBondContact O-N 2.87Å; G191-T194 VanDerWaalsContact CA-OG1 3.29Å; G191-T194 WeakPolarHBondContact CA-OG1 3.42Å; G191-T194 PolarHBondContact N-OG1 3.22Å; G191-T194 PolarHBondContact O-N 2.74Å; G191-T194 VanDerWaalsContact O-N 3.11Å; G191-T194 PolarHBondContact O-OG1 3.46Å; G191-D195 PolarHBondContact N-O 3.44Å; G191-D195 CarbonylContact O-C 3.58Å; G191-D195 PolarHBondContact O-N 3.45Å; G191-D195 VanDerWaalsContact O-N 3.08Å; G191-Y215 WeakPolarHBondContact CA-OH 3.45Å
192	P	97.8	Very high	96.1	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.058	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.2	-170	25.1	-33.4	0	0	0	113.7	P120 Y215 D223 H225 A228 W418	P120-P192 WeakPolarHBondContact CG-O 3.46Å; P192-Y215 WeakPolarHBondContact CD-OH 3.18Å; P192-D223 WeakPolarHBondContact CG-OD2 3.27Å; P192-H225 HydrophobicContact CB-CB 4.16Å; P192-H225 WeakPolarHBondContact CB-O 3.41Å; P192-H225 HydrophobicContact CG-CB 4.14Å; P192-A228 HydrophobicContact CB-CB 3.88Å; P192-W418 WeakPolarHBondContact O-CZ2 3.14Å; P192-W418 PolarHBondContact O-NE1 3.3Å; P192-W418 VanDerWaalsContact O-NE1 3.15Å
193	G	97.4	Very high	95.9	Very high	47 Å²	47	30.9 Å²	30.9	49%	0.485	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.3	175.9	0	0	0	0	0	115.2	G191	G191-G193 PolarHBondContact O-N 2.87Å
194	T	97.2	Very high	95.6	Very high	51 Å²	51	30.3 Å²	30.3	31%	0.313	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-66.3	-175.7	49.9	0	0	0	0	111.6	P120 T121 G191	P120-T194 CarbonylContact C-O 3.44Å; P120-T194 WeakPolarHBondContact CA-O 3.26Å; T121-T194 PolarHBondContact N-O 3.45Å; T121-T194 PolarHBondContact OG1-O 3.02Å; G191-T194 VanDerWaalsContact CA-OG1 3.29Å; G191-T194 WeakPolarHBondContact CA-OG1 3.42Å; G191-T194 PolarHBondContact N-OG1 3.22Å; G191-T194 PolarHBondContact O-N 2.74Å; G191-T194 VanDerWaalsContact O-N 3.11Å; G191-T194 PolarHBondContact O-OG1 3.46Å
195	D	98.6	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	124.6	-177	-167.4	-36.3	0	0	0	109.6	R111 Q113 T121 F189 L190 G191 P197	R111-D195 IonicContact CZ-OD1 2.68Å; R111-D195 IonicContact NE-OD1 3.38Å; R111-D195 PolarHBondContact NE-OD1 3.16Å; R111-D195 IonicContact NE-OD2 3.56Å; R111-D195 PolarHBondContact NE-OD2 3.43Å; R111-D195 IonicContact NH2-OD1 3.99Å; R111-D195 PolarHBondContact NH2-OD1 2.99Å; R111-D195 IonicContact NH2-OD2 2.75Å; Q113-D195 VanDerWaalsContact CG-OD2 3.26Å; Q113-D195 WeakPolarHBondContact CG-OD2 3.25Å; Q113-D195 PolarHBondContact NE2-OD2 3.16Å; T121-D195 CarbonylContact O-C 3.57Å; T121-D195 WeakPolarHBondContact O-CA 3.26Å; T121-D195 WeakPolarHBondContact OG1-CA 3.38Å; T121-D195 WeakPolarHBondContact OG1-CB 3.34Å; T121-D195 PolarHBondContact OG1-OD1 3.44Å; T121-D195 PolarHBondContact OG1-OD2 3.11Å; F189-D195 WeakPolarHBondContact O-CB 3.19Å; L190-D195 WeakPolarHBondContact CA-O 3.48Å; G191-D195 PolarHBondContact N-O 3.44Å; G191-D195 CarbonylContact O-C 3.58Å; G191-D195 PolarHBondContact O-N 3.45Å; G191-D195 VanDerWaalsContact O-N 3.08Å; D195-P197 WeakPolarHBondContact O-CD 3.41Å
196	V	98.7	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	102.6	-174.6	177.8	0	0	0	0	110	P120 T121 K122 A228 C229 T231	P120-V196 HydrophobicContact CB-CG2 3.76Å; P120-V196 HydrophobicContact CG-CB 4.46Å; P120-V196 HydrophobicContact CG-CG2 3.69Å; T121-V196 PolarHBondContact O-N 3.29Å; K122-V196 HydrophobicContact CD-CB 3.95Å; K122-V196 HydrophobicContact CD-CG1 3.99Å; K122-V196 VanDerWaalsContact CD-O 3.26Å; K122-V196 WeakPolarHBondContact CD-O 3.44Å; K122-V196 WeakPolarHBondContact CE-O 3.21Å; K122-V196 PolarHBondContact NZ-O 3.34Å; V196-A228 WeakPolarHBondContact CG2-O 3.05Å; V196-C229 WeakPolarHBondContact CA-O 3.42Å; V196-T231 HydrophobicContact CG1-CG2 3.78Å
197	P	98.2	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	174.4	177.3	-24.2	37.1	0	0	0	114.8	K122 G123 I125 L190 D195 C229 V230 T231	K122-P197 VanDerWaalsContact NZ-C 3.35Å; K122-P197 PolarHBondContact NZ-O 3.45Å; G123-P197 CarbonylContact O-C 3.44Å; G123-P197 WeakPolarHBondContact O-CA 3.45Å; I125-P197 HydrophobicContact CD1-CB 3.53Å; I125-P197 HydrophobicContact CD1-CG 3.96Å; I125-P197 HydrophobicContact CG1-CB 3.94Å; L190-P197 HydrophobicContact CD1-CG 3.68Å; D195-P197 WeakPolarHBondContact O-CD 3.41Å; P197-C229 WeakPolarHBondContact CD-O 3.25Å; P197-V230 HydrophobicContact CB-CG2 4.11Å; P197-T231 PolarHBondContact O-N 3.44Å; P197-T231 PolarHBondContact O-OG1 3.43Å
198	A	96.5	Very high	95.4	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	172.2	175.9	0	0	0	0	0	110.4	G123 G124 I125	G123-A198 PolarHBondContact O-N 3.16Å; G124-A198 CarbonylContact C-O 3.54Å; G124-A198 WeakPolarHBondContact CA-O 3.2Å; I125-A198 PolarHBondContact N-O 3.32Å
199	P	92.2	Very high	95.4	Very high	26 Å²	26	25.6 Å²	25.6	17%	0.169	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.5	167.6	-22.1	33.3	0	0	0	112.1	T203 M208 T231	P199-T203 WeakPolarHBondContact CA-OG1 3.27Å; P199-M208 HydrophobicContact CG-CG 3.56Å; P199-M208 HydrophobicContact CG-SD 4.14Å; P199-T231 WeakPolarHBondContact CD-O 3.28Å
200	D	88.9	Confident	95.4	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	16%	0.16	C	C	.	.			trans	-145	-163.3	166.3	-152	-106.5	0	0	0	109.1	I125 R126 K158 G202 T203	I125-D200 VanDerWaalsContact O-CB 3.31Å; I125-D200 WeakPolarHBondContact O-CB 3.4Å; I125-D200 PolarHBondContact O-N 2.96Å; R126-D200 HydrophobicContact CB-CB 4.18Å; R126-D200 IonicContact CZ-OD1 2.87Å; R126-D200 IonicContact NE-OD1 3.22Å; R126-D200 PolarHBondContact NE-OD1 3.09Å; R126-D200 IonicContact NH2-OD1 2.69Å; R126-D200 PolarHBondContact NH2-OD1 3.02Å; K158-D200 IonicContact NZ-OD1 3.48Å; K158-D200 PolarHBondContact NZ-OD1 3.36Å; K158-D200 IonicContact NZ-OD2 3.97Å; K158-D200 PolarHBondContact NZ-OD2 2.84Å; D200-G202 PolarHBondContact O-N 2.75Å; D200-T203 PolarHBondContact N-OG1 3.24Å; D200-T203 PolarHBondContact O-N 2.75Å; D200-T203 VanDerWaalsContact O-N 3.08Å; D200-T203 PolarHBondContact O-OG1 3.25Å
201	M	84.4	Confident	95.4	Very high	76 Å²	76	26.1 Å²	26.1	37%	0.374	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130	177.1	178.1	167.6	48	0	0	111.3	R126 Y127 T203	R126-M201 CarbonylContact C-O 3.57Å; R126-M201 WeakPolarHBondContact CA-O 3.44Å; R126-M201 HydrophobicContact CG-CB 4.24Å; R126-M201 HydrophobicContact CG-CE 4.29Å; R126-M201 VanDerWaalsContact CZ-CE 3.41Å; Y127-M201 PolarHBondContact N-O 3.18Å; M201-T203 VanDerWaalsContact C-N 3.3Å; M201-T203 PolarHBondContact O-N 3.49Å
202	G	89.2	Confident	95.4	Very high	37 Å²	37	26.1 Å²	26.1	38%	0.381	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	1.6	-178.5	0	0	0	0	0	115.6	Y127 D200	Y127-G202 WeakPolarHBondContact CD2-O 3.47Å; D200-G202 PolarHBondContact O-N 2.75Å
203	T	94	Very high	95.4	Very high	19 Å²	19	28 Å²	28	12%	0.117	17%	0.17	C	C	.	.			trans	-131.7	156.1	176.7	67.4	0	0	0	0	112	I125 Y127 P199 D200 M201 E207	I125-T203 VanDerWaalsContact O-CG2 3.24Å; I125-T203 WeakPolarHBondContact O-CG2 3.06Å; I125-T203 PolarHBondContact O-OG1 3.49Å; Y127-T203 HydrophobicContact CD1-CG2 3.63Å; Y127-T203 HydrophobicContact CD2-CG2 3.67Å; Y127-T203 HydrophobicContact CE1-CG2 3.64Å; Y127-T203 HydrophobicContact CE2-CG2 3.74Å; Y127-T203 HydrophobicContact CG-CG2 3.62Å; P199-T203 WeakPolarHBondContact CA-OG1 3.27Å; D200-T203 PolarHBondContact N-OG1 3.24Å; D200-T203 PolarHBondContact O-N 2.75Å; D200-T203 VanDerWaalsContact O-N 3.08Å; D200-T203 PolarHBondContact O-OG1 3.25Å; M201-T203 VanDerWaalsContact C-N 3.3Å; M201-T203 PolarHBondContact O-N 3.49Å; T203-E207 HydrophobicContact CG2-CB 4.5Å; T203-E207 HydrophobicContact CG2-CG 4.23Å
204	G	92.3	Very high	95.4	Very high	14 Å²	14	26.3 Å²	26.3	14%	0.144	15%	0.15	C	C	.	.			trans	-153.7	-162.4	-177.5	0	0	0	0	0	113.4	R206 E207 M208	G204-R206 PolarHBondContact O-N 3.25Å; G204-R206 VanDerWaalsContact O-N 3.1Å; G204-E207 PolarHBondContact N-OE2 3.17Å; G204-E207 PolarHBondContact O-N 3.39Å; G204-M208 WeakPolarHBondContact O-CG 3.21Å; G204-M208 PolarHBondContact O-N 2.69Å; G204-M208 VanDerWaalsContact O-N 3.12Å
205	P	94.5	Very high	95.5	Very high	50 Å²	50	25 Å²	25	33%	0.325	14%	0.139	S	C	.	.	H	α-helix	trans	-56	-27.5	179.6	-27.1	35.7	0	0	0	114.5	S209 G232 I244	P205-S209 WeakPolarHBondContact O-CB 3.04Å; P205-S209 PolarHBondContact O-N 3.35Å; P205-S209 PolarHBondContact O-OG 3.06Å; P205-G232 VanDerWaalsContact CA-O 3.31Å; P205-G232 WeakPolarHBondContact CA-O 3.4Å; P205-I244 HydrophobicContact CG-CD1 4.49Å
206	R	95.5	Very high	95.5	Very high	114 Å²	114	25.6 Å²	25.6	43%	0.43	14%	0.144	S	C	.	.	H	α-helix	trans	-63.9	-56.9	176.2	-176.7	-179.4	66.5	-176.6	1.7	111.1	G204 M208 S209 W210	G204-R206 PolarHBondContact O-N 3.25Å; G204-R206 VanDerWaalsContact O-N 3.1Å; R206-M208 VanDerWaalsContact C-N 3.29Å; R206-M208 PolarHBondContact O-N 2.98Å; R206-S209 WeakPolarHBondContact O-CB 3.39Å; R206-S209 PolarHBondContact O-N 2.59Å; R206-W210 VanDerWaalsContact CD-CH2 3.5Å; R206-W210 HydrophobicContact CG-CD2 4.3Å; R206-W210 HydrophobicContact CG-CE3 4.43Å; R206-W210 HydrophobicContact CG-CH2 3.67Å; R206-W210 HydrophobicContact CG-CZ2 3.48Å; R206-W210 VanDerWaalsContact CG-CZ2 3.48Å; R206-W210 HydrophobicContact CG-CZ3 4.13Å; R206-W210 VanDerWaalsContact NE-CH2 3.34Å; R206-W210 PolarHBondContact O-N 3.15Å; R206-W210 VanDerWaalsContact O-N 3.1Å
207	E	97.7	Very high	95.4	Very high	6 Å²	6	31 Å²	31	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-38.9	179.8	-68.1	66.4	-141.5	0	0	111.3	Y127 T177 T203 G204 S209 W210 I211	Y127-E207 HydrophobicContact CE2-CG 3.89Å; T177-E207 HydrophobicContact CG2-CB 4.19Å; T203-E207 HydrophobicContact CG2-CB 4.5Å; T203-E207 HydrophobicContact CG2-CG 4.23Å; G204-E207 PolarHBondContact N-OE2 3.17Å; G204-E207 PolarHBondContact O-N 3.39Å; E207-S209 VanDerWaalsContact C-N 3.28Å; E207-S209 PolarHBondContact O-N 3.48Å; E207-W210 HydrophobicContact CB-CE3 4.3Å; E207-W210 HydrophobicContact CG-CE3 4.02Å; E207-W210 HydrophobicContact CG-CZ3 3.92Å; E207-W210 PolarHBondContact O-N 3.15Å; E207-W210 WeakPolarHBondContact OE1-CZ3 3.28Å; E207-I211 WeakPolarHBondContact O-CG1 3.42Å; E207-I211 PolarHBondContact O-N 3.34Å
208	M	97.7	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-33.9	176.3	-59.4	-52.9	106.7	0	0	112.2	P199 G204 R206 I211 A212 V230 T231 K233	P199-M208 HydrophobicContact CG-CG 3.56Å; P199-M208 HydrophobicContact CG-SD 4.14Å; G204-M208 WeakPolarHBondContact O-CG 3.21Å; G204-M208 PolarHBondContact O-N 2.69Å; G204-M208 VanDerWaalsContact O-N 3.12Å; R206-M208 VanDerWaalsContact C-N 3.29Å; R206-M208 PolarHBondContact O-N 2.98Å; M208-I211 HydrophobicContact CE-CD1 3.83Å; M208-I211 PolarHBondContact O-N 3.26Å; M208-I211 HydrophobicContact SD-CD1 4.22Å; M208-A212 WeakPolarHBondContact O-CB 3.23Å; M208-A212 PolarHBondContact O-N 2.85Å; M208-V230 HydrophobicContact CB-CG2 4.1Å; M208-V230 HydrophobicContact CG-CG2 4.17Å; M208-V230 WeakPolarHBondContact O-CG1 3.33Å; M208-V230 HydrophobicContact SD-CG2 3.32Å; M208-V230 WeakPolarHBondContact SD-CG2 3.05Å; M208-T231 WeakPolarHBondContact CG-O 3.38Å; M208-K233 HydrophobicContact CB-CG 4.2Å
209	S	97.1	Very high	95.4	Very high	20 Å²	20	37 Å²	37	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-41	175.2	-57.6	0	0	0	0	110.9	P205 R206 E207 A212 D213	P205-S209 WeakPolarHBondContact O-CB 3.04Å; P205-S209 PolarHBondContact O-N 3.35Å; P205-S209 PolarHBondContact O-OG 3.06Å; R206-S209 WeakPolarHBondContact O-CB 3.39Å; R206-S209 PolarHBondContact O-N 2.59Å; E207-S209 VanDerWaalsContact C-N 3.28Å; E207-S209 PolarHBondContact O-N 3.48Å; S209-A212 PolarHBondContact O-N 2.92Å; S209-D213 VanDerWaalsContact O-CB 3.23Å; S209-D213 WeakPolarHBondContact O-CB 3.47Å; S209-D213 PolarHBondContact O-N 3.14Å
210	W	98.3	Very high	95.6	Very high	30 Å²	30	35.8 Å²	35.8	11%	0.114	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-40.9	174	-61.9	-35.9	0	0	0	112.9	L173 E174 T177 R178 R206 E207 T214	L173-W210 HydrophobicContact CB-CH2 4.2Å; L173-W210 HydrophobicContact CB-CZ3 4.04Å; E174-W210 HydrophobicContact CB-CD2 4Å; E174-W210 HydrophobicContact CB-CE3 4.2Å; E174-W210 HydrophobicContact CB-CH2 3.88Å; E174-W210 HydrophobicContact CB-CZ2 3.64Å; E174-W210 HydrophobicContact CB-CZ3 4.16Å; E174-W210 HydrophobicContact CG-CD2 3.9Å; E174-W210 HydrophobicContact CG-CG 4.05Å; E174-W210 HydrophobicContact CG-CZ2 4.16Å; T177-W210 HydrophobicContact CG2-CB 4.11Å; T177-W210 HydrophobicContact CG2-CE3 4.11Å; R178-W210 HydrophobicContact CG-CB 4.13Å; R206-W210 VanDerWaalsContact CD-CH2 3.5Å; R206-W210 HydrophobicContact CG-CD2 4.3Å; R206-W210 HydrophobicContact CG-CE3 4.43Å; R206-W210 HydrophobicContact CG-CH2 3.67Å; R206-W210 HydrophobicContact CG-CZ2 3.48Å; R206-W210 VanDerWaalsContact CG-CZ2 3.48Å; R206-W210 HydrophobicContact CG-CZ3 4.13Å; R206-W210 VanDerWaalsContact NE-CH2 3.34Å; R206-W210 PolarHBondContact O-N 3.15Å; R206-W210 VanDerWaalsContact O-N 3.1Å; E207-W210 HydrophobicContact CB-CE3 4.3Å; E207-W210 HydrophobicContact CG-CE3 4.02Å; E207-W210 HydrophobicContact CG-CZ3 3.92Å; E207-W210 PolarHBondContact O-N 3.15Å; E207-W210 WeakPolarHBondContact OE1-CZ3 3.28Å; W210-T214 WeakPolarHBondContact O-CB 3.49Å; W210-T214 PolarHBondContact O-N 2.85Å; W210-T214 PolarHBondContact O-OG1 3.21Å
211	I	98.6	Very high	96	Very high	4 Å²	4	40 Å²	40	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-48	176.2	-68.3	164.5	0	0	0	110.4	I125 T177 A181 L190 E207 M208 Y215 V230	I125-I211 HydrophobicContact CD1-CD1 3.71Å; T177-I211 HydrophobicContact CG2-CD1 4.11Å; T177-I211 HydrophobicContact CG2-CG1 3.65Å; A181-I211 HydrophobicContact CB-CG1 4.23Å; A181-I211 HydrophobicContact CB-CG2 4.28Å; L190-I211 HydrophobicContact CD1-CG2 3.96Å; L190-I211 HydrophobicContact CD2-CG2 3.89Å; E207-I211 WeakPolarHBondContact O-CG1 3.42Å; E207-I211 PolarHBondContact O-N 3.34Å; M208-I211 HydrophobicContact CE-CD1 3.83Å; M208-I211 PolarHBondContact O-N 3.26Å; M208-I211 HydrophobicContact SD-CD1 4.22Å; I211-Y215 WeakPolarHBondContact O-CB 3.29Å; I211-Y215 PolarHBondContact O-N 2.86Å; I211-V230 HydrophobicContact CB-CG1 4.33Å; I211-V230 HydrophobicContact CB-CG2 4.45Å; I211-V230 HydrophobicContact CG2-CB 3.98Å; I211-V230 HydrophobicContact CG2-CG1 4.09Å; I211-V230 HydrophobicContact CG2-CG2 4.16Å
212	A	98.2	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-49.4	179.2	0	0	0	0	0	111.3	M208 S209 Y215 A216 V230 K233	M208-A212 WeakPolarHBondContact O-CB 3.23Å; M208-A212 PolarHBondContact O-N 2.85Å; S209-A212 PolarHBondContact O-N 2.92Å; A212-Y215 PolarHBondContact O-N 3.32Å; A212-A216 VanDerWaalsContact O-CB 3.28Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.96Å; A212-V230 HydrophobicContact CB-CG1 3.63Å; A212-K233 HydrophobicContact CB-CD 3.71Å; A212-K233 HydrophobicContact CB-CG 4.5Å
213	D	98.2	Very high	96.9	Very high	50 Å²	50	43.7 Å²	43.7	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-45.9	-179	-179.2	64.7	0	0	0	111.9	R178 S209 Y215 A216 N217	R178-D213 IonicContact CZ-OD2 2.79Å; R178-D213 VanDerWaalsContact CZ-OD2 3.22Å; R178-D213 IonicContact NH1-OD2 3.59Å; R178-D213 PolarHBondContact NH1-OD2 2.87Å; R178-D213 IonicContact NH2-OD2 3.6Å; R178-D213 PolarHBondContact NH2-OD2 3.43Å; S209-D213 VanDerWaalsContact O-CB 3.23Å; S209-D213 WeakPolarHBondContact O-CB 3.47Å; S209-D213 PolarHBondContact O-N 3.14Å; D213-Y215 PolarHBondContact O-N 3.2Å; D213-A216 PolarHBondContact O-N 3.27Å; D213-N217 WeakPolarHBondContact O-CB 3.43Å; D213-N217 PolarHBondContact O-N 3.34Å; D213-N217 PolarHBondContact O-ND2 2.96Å; D213-N217 PolarHBondContact OD1-ND2 3.08Å
214	T	98.4	Very high	97	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.4	-76.3	0	0	0	0	112	R178 A181 L182 W210 T218	R178-T214 HydrophobicContact CB-CG2 4.49Å; R178-T214 WeakPolarHBondContact CB-OG1 3.31Å; R178-T214 WeakPolarHBondContact CG-OG1 3.35Å; R178-T214 PolarHBondContact NH1-OG1 2.86Å; A181-T214 HydrophobicContact CB-CG2 4.13Å; L182-T214 HydrophobicContact CD1-CG2 4.39Å; L182-T214 HydrophobicContact CD2-CG2 3.85Å; L182-T214 HydrophobicContact CG-CG2 3.65Å; W210-T214 WeakPolarHBondContact O-CB 3.49Å; W210-T214 PolarHBondContact O-N 2.85Å; W210-T214 PolarHBondContact O-OG1 3.21Å; T214-T218 WeakPolarHBondContact O-CB 3.42Å; T214-T218 WeakPolarHBondContact O-CG2 3.43Å; T214-T218 PolarHBondContact O-N 3.32Å; T214-T218 PolarHBondContact O-OG1 2.9Å
215	Y	98.5	Very high	97.3	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.09	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-49.7	178.8	-175.9	-94.9	0	0	0	111.3	A185 L190 G191 P192 I211 A212 D213 N217 T218 V219 G220 S226 C229	A185-Y215 HydrophobicContact CB-CD2 4.03Å; A185-Y215 HydrophobicContact CB-CE2 4.19Å; L190-Y215 HydrophobicContact CD2-CD2 3.82Å; L190-Y215 HydrophobicContact CD2-CG 4.38Å; L190-Y215 HydrophobicContact CG-CD2 3.79Å; L190-Y215 HydrophobicContact CG-CE2 4.26Å; L190-Y215 HydrophobicContact CG-CG 4.48Å; L190-Y215 WeakPolarHBondContact O-CE2 3.2Å; G191-Y215 WeakPolarHBondContact CA-OH 3.45Å; P192-Y215 WeakPolarHBondContact CD-OH 3.18Å; I211-Y215 WeakPolarHBondContact O-CB 3.29Å; I211-Y215 PolarHBondContact O-N 2.86Å; A212-Y215 PolarHBondContact O-N 3.32Å; D213-Y215 PolarHBondContact O-N 3.2Å; Y215-N217 PolarHBondContact O-N 2.96Å; Y215-T218 PolarHBondContact O-N 3.03Å; Y215-V219 HydrophobicContact CE2-CB 4.39Å; Y215-V219 HydrophobicContact CE2-CG1 4.44Å; Y215-V219 PolarHBondContact O-N 2.5Å; Y215-G220 WeakPolarHBondContact O-CA 3.48Å; Y215-G220 PolarHBondContact O-N 3.15Å; Y215-S226 WeakPolarHBondContact CD1-O 3.44Å; Y215-C229 HydrophobicContact CD1-CB 3.53Å; Y215-C229 HydrophobicContact CD2-CB 4.38Å; Y215-C229 HydrophobicContact CE1-CB 3.8Å; Y215-C229 HydrophobicContact CG-CB 3.84Å
216	A	97.8	Very high	97.4	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-38.6	-177.3	0	0	0	0	0	112.8	A212 D213 T218 G220 H221	A212-A216 VanDerWaalsContact O-CB 3.28Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.96Å; D213-A216 PolarHBondContact O-N 3.27Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 2.9Å; A216-G220 CarbonylContact O-C 3.54Å; A216-H221 WeakPolarHBondContact O-CA 3.32Å; A216-H221 PolarHBondContact O-N 3.36Å
217	N	97.7	Very high	97.5	Very high	113 Å²	113	47.5 Å²	47.5	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	1.3	-179.3	-70.1	-78.1	0	0	0	114.3	D213 Y215	D213-N217 WeakPolarHBondContact O-CB 3.43Å; D213-N217 PolarHBondContact O-N 3.34Å; D213-N217 PolarHBondContact O-ND2 2.96Å; D213-N217 PolarHBondContact OD1-ND2 3.08Å; Y215-N217 PolarHBondContact O-N 2.96Å
218	T	98.1	Very high	97.5	Very high	56 Å²	56	47.3 Å²	47.3	34%	0.344	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-95.8	-179.1	64.6	0	0	0	0	112.1	L182 T214 Y215 A216 G220 H221	L182-T218 HydrophobicContact CD2-CG2 4.09Å; L182-T218 WeakPolarHBondContact CD2-OG1 3.46Å; T214-T218 WeakPolarHBondContact O-CB 3.42Å; T214-T218 WeakPolarHBondContact O-CG2 3.43Å; T214-T218 PolarHBondContact O-N 3.32Å; T214-T218 PolarHBondContact O-OG1 2.9Å; Y215-T218 PolarHBondContact O-N 3.03Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 2.9Å; T218-G220 VanDerWaalsContact C-N 3.3Å; T218-G220 PolarHBondContact O-N 3.11Å; T218-H221 PolarHBondContact O-N 3.49Å; T218-H221 PolarHBondContact O-ND1 3.21Å
219	V	96.6	Very high	97.6	Very high	76 Å²	76	47.3 Å²	47.3	46%	0.461	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.4	-175.4	-177.4	0	0	0	0	111.3	A185 Y215	A185-V219 HydrophobicContact CB-CB 4.23Å; A185-V219 HydrophobicContact CB-CG1 4.47Å; A185-V219 HydrophobicContact CB-CG2 3.84Å; Y215-V219 HydrophobicContact CE2-CB 4.39Å; Y215-V219 HydrophobicContact CE2-CG1 4.44Å; Y215-V219 PolarHBondContact O-N 2.5Å
220	G	96.7	Very high	97.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	15.3	-176.7	0	0	0	0	0	115.7	Y215 A216 T218 N222 D223 S226	Y215-G220 WeakPolarHBondContact O-CA 3.48Å; Y215-G220 PolarHBondContact O-N 3.15Å; A216-G220 CarbonylContact O-C 3.54Å; T218-G220 VanDerWaalsContact C-N 3.3Å; T218-G220 PolarHBondContact O-N 3.11Å; G220-N222 PolarHBondContact O-N 3.38Å; G220-N222 VanDerWaalsContact O-N 3.17Å; G220-D223 WeakPolarHBondContact O-CB 3.42Å; G220-D223 PolarHBondContact O-N 3.24Å; G220-S226 WeakPolarHBondContact O-CB 3.43Å
221	H	96.7	Very high	97.6	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.597	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.2	-172.8	69.1	-82.3	0	0	0	114.9	A216 T218	A216-H221 WeakPolarHBondContact O-CA 3.32Å; A216-H221 PolarHBondContact O-N 3.36Å; T218-H221 PolarHBondContact O-N 3.49Å; T218-H221 PolarHBondContact O-ND1 3.21Å
222	N	96.7	Very high	97.4	Very high	140 Å²	140	44.9 Å²	44.9	75%	0.749	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	1.4	175	-66.4	-29.9	0	0	0	113.2	G220	G220-N222 PolarHBondContact O-N 3.38Å; G220-N222 VanDerWaalsContact O-N 3.17Å
223	D	96.6	Very high	97.4	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	24%	0.237	S	C	.	.			trans	-87.7	112.8	179.5	-171.4	-10.4	0	0	0	109.9	P192 G220 H225 S226	P192-D223 WeakPolarHBondContact CG-OD2 3.27Å; G220-D223 WeakPolarHBondContact O-CB 3.42Å; G220-D223 PolarHBondContact O-N 3.24Å; D223-H225 PolarHBondContact O-N 3.42Å; D223-H225 VanDerWaalsContact O-N 3.16Å; D223-H225 WeakPolarHBondContact OD1-CA 3.39Å; D223-H225 PolarHBondContact OD1-N 3.29Å; D223-S226 WeakPolarHBondContact O-CB 3.48Å; D223-S226 PolarHBondContact O-N 2.92Å; D223-S226 PolarHBondContact O-OG 2.89Å; D223-S226 VanDerWaalsContact O-OG 3.09Å
224	M	96.2	Very high	97.1	Very high	134 Å²	134	44.6 Å²	44.6	66%	0.66	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.4	174.5	-174.7	177.5	68.5	0	0	112	H424	M224-H424 PolarHBondContact O-CE1 2.8Å
225	H	97.5	Very high	96.9	Very high	56 Å²	56	49.3 Å²	49.3	26%	0.259	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	16.2	179.1	-57.5	-60.3	0	0	0	113.2	P192 D223 H227 A228 L422 H424	P192-H225 HydrophobicContact CB-CB 4.16Å; P192-H225 WeakPolarHBondContact CB-O 3.41Å; P192-H225 HydrophobicContact CG-CB 4.14Å; D223-H225 PolarHBondContact O-N 3.42Å; D223-H225 VanDerWaalsContact O-N 3.16Å; D223-H225 WeakPolarHBondContact OD1-CA 3.39Å; D223-H225 PolarHBondContact OD1-N 3.29Å; H225-H227 PolarHBondContact O-N 3.12Å; H225-A228 HydrophobicContact CB-CB 4.5Å; H225-A228 WeakPolarHBondContact O-CA 3.1Å; H225-A228 VanDerWaalsContact O-CB 3.28Å; H225-A228 WeakPolarHBondContact O-CB 3.28Å; H225-A228 PolarHBondContact O-N 3.23Å; H225-L422 HydrophobicContact CB-CD2 3.8Å; H225-L422 PolarHBondContact CE1-O 3.48Å; H225-L422 WeakPolarHBondContact ND1-CD2 3.47Å; H225-H424 AromaticContact CE1-NE2 3.49Å; H225-H424 PolarHBondContact CE1-NE2 2.66Å; H225-H424 AromaticContact ND1-CE1 3.94Å; H225-H424 AromaticContact ND1-NE2 3.21Å; H225-H424 PolarHBondContact ND1-NE2 3.28Å
226	S	97.3	Very high	96.6	Very high	13 Å²	13	53 Å²	53	9%	0.091	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-47.6	-40.9	-177	52.4	0	0	0	0	114.2	Y215 G220 D223 A228 C229	Y215-S226 WeakPolarHBondContact CD1-O 3.44Å; G220-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 WeakPolarHBondContact O-CB 3.48Å; D223-S226 PolarHBondContact O-N 2.92Å; D223-S226 PolarHBondContact O-OG 2.89Å; D223-S226 VanDerWaalsContact O-OG 3.09Å; S226-A228 VanDerWaalsContact C-N 3.25Å; S226-A228 PolarHBondContact O-N 3.45Å; S226-C229 WeakPolarHBondContact O-CB 3.21Å; S226-C229 PolarHBondContact O-N 3.45Å; S226-C229 VanDerWaalsContact O-N 3.14Å; S226-C229 PolarHBondContact O-SG 3.35Å
227	H	97.3	Very high	96.3	Very high	74 Å²	74	55.4 Å²	55.4	34%	0.343	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-74.5	-11.5	-179.2	-71.2	69.6	0	0	0	114.3	H225 K233	H225-H227 PolarHBondContact O-N 3.12Å; H227-K233 VanDerWaalsContact O-CE 3.23Å; H227-K233 WeakPolarHBondContact O-CE 3.39Å; H227-K233 PolarHBondContact O-NZ 3.03Å
228	A	98.2	Very high	96.1	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-81.9	1.1	170.7	0	0	0	0	0	112.3	P192 V196 H225 S226 V230 N421 L422	P192-A228 HydrophobicContact CB-CB 3.88Å; V196-A228 WeakPolarHBondContact CG2-O 3.05Å; H225-A228 HydrophobicContact CB-CB 4.5Å; H225-A228 WeakPolarHBondContact O-CA 3.1Å; H225-A228 VanDerWaalsContact O-CB 3.28Å; H225-A228 WeakPolarHBondContact O-CB 3.28Å; H225-A228 PolarHBondContact O-N 3.23Å; S226-A228 VanDerWaalsContact C-N 3.25Å; S226-A228 PolarHBondContact O-N 3.45Å; A228-V230 PolarHBondContact O-N 3.15Å; A228-N421 HydrophobicContact CB-CB 3.69Å; A228-L422 HydrophobicContact CB-CD2 3.95Å
229	C	98.1	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-65.2	-17.1	177.7	73.3	0	0	0	0	113.8	L190 V196 P197 Y215 S226	L190-C229 HydrophobicContact CD1-CB 4.25Å; L190-C229 WeakPolarHBondContact CD1-O 3.41Å; V196-C229 WeakPolarHBondContact CA-O 3.42Å; P197-C229 WeakPolarHBondContact CD-O 3.25Å; Y215-C229 HydrophobicContact CD1-CB 3.53Å; Y215-C229 HydrophobicContact CD2-CB 4.38Å; Y215-C229 HydrophobicContact CE1-CB 3.8Å; Y215-C229 HydrophobicContact CG-CB 3.84Å; S226-C229 WeakPolarHBondContact O-CB 3.21Å; S226-C229 PolarHBondContact O-N 3.45Å; S226-C229 VanDerWaalsContact O-N 3.14Å; S226-C229 PolarHBondContact O-SG 3.35Å
230	V	98.5	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.			trans	-150	148.8	-179.3	65.5	0	0	0	0	109.9	P197 M208 I211 A212 A228 K233	P197-V230 HydrophobicContact CB-CG2 4.11Å; M208-V230 HydrophobicContact CB-CG2 4.1Å; M208-V230 HydrophobicContact CG-CG2 4.17Å; M208-V230 WeakPolarHBondContact O-CG1 3.33Å; M208-V230 HydrophobicContact SD-CG2 3.32Å; M208-V230 WeakPolarHBondContact SD-CG2 3.05Å; I211-V230 HydrophobicContact CB-CG1 4.33Å; I211-V230 HydrophobicContact CB-CG2 4.45Å; I211-V230 HydrophobicContact CG2-CB 3.98Å; I211-V230 HydrophobicContact CG2-CG1 4.09Å; I211-V230 HydrophobicContact CG2-CG2 4.16Å; A212-V230 HydrophobicContact CB-CG1 3.63Å; A228-V230 PolarHBondContact O-N 3.15Å; V230-K233 HydrophobicContact CG1-CD 3.97Å; V230-K233 HydrophobicContact CG1-CG 4.04Å; V230-K233 PolarHBondContact O-NZ 3.33Å
231	T	97.8	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-116.7	173.1	176.4	62.7	0	0	0	0	111.3	K122 V196 P197 P199 M208 K233 S414 E417 W418	K122-T231 WeakPolarHBondContact CE-OG1 3.47Å; K122-T231 PolarHBondContact NZ-OG1 3.15Å; V196-T231 HydrophobicContact CG1-CG2 3.78Å; P197-T231 PolarHBondContact O-N 3.44Å; P197-T231 PolarHBondContact O-OG1 3.43Å; P199-T231 WeakPolarHBondContact CD-O 3.28Å; M208-T231 WeakPolarHBondContact CG-O 3.38Å; T231-K233 VanDerWaalsContact C-N 3.28Å; T231-S414 VanDerWaalsContact CG2-O 3.27Å; T231-S414 WeakPolarHBondContact CG2-O 3.44Å; T231-S414 WeakPolarHBondContact OG1-CB 2.84Å; T231-E417 VanDerWaalsContact CA-OE1 3.25Å; T231-E417 WeakPolarHBondContact CA-OE1 3.35Å; T231-E417 HydrophobicContact CG2-CB 4.31Å; T231-W418 HydrophobicContact CG2-CB 4.09Å
232	G	95.3	Very high	95.2	Very high	3 Å²	3	49 Å²	49	3%	0.031	28%	0.275	C	S	.	.	S	Bend	trans	74.7	23.3	-173	0	0	0	0	0	112.3	P205 E417	P205-G232 VanDerWaalsContact CA-O 3.31Å; P205-G232 WeakPolarHBondContact CA-O 3.4Å; G232-E417 WeakPolarHBondContact CA-OE2 3.45Å; G232-E417 PolarHBondContact N-OE1 3.25Å; G232-E417 PolarHBondContact N-OE2 2.93Å
233	K	96.4	Very high	94.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	25%	0.247	C	C	.	.			trans	-68.8	164.2	176.5	-62.9	-177.5	-59.9	-59.7	0	110.5	M208 A212 H227 V230 T231 M237 E417 N421	M208-K233 HydrophobicContact CB-CG 4.2Å; A212-K233 HydrophobicContact CB-CD 3.71Å; A212-K233 HydrophobicContact CB-CG 4.5Å; H227-K233 VanDerWaalsContact O-CE 3.23Å; H227-K233 WeakPolarHBondContact O-CE 3.39Å; H227-K233 PolarHBondContact O-NZ 3.03Å; V230-K233 HydrophobicContact CG1-CD 3.97Å; V230-K233 HydrophobicContact CG1-CG 4.04Å; V230-K233 PolarHBondContact O-NZ 3.33Å; T231-K233 VanDerWaalsContact C-N 3.28Å; K233-M237 HydrophobicContact CB-CB 4.42Å; K233-M237 WeakPolarHBondContact CD-O 3.35Å; K233-M237 WeakPolarHBondContact CE-O 3.4Å; K233-E417 PolarHBondContact N-OE1 3.16Å; K233-E417 VanDerWaalsContact N-OE1 3.07Å; K233-E417 IonicContact NZ-OE1 3.39Å; K233-E417 PolarHBondContact NZ-OE1 3.09Å; K233-N421 PolarHBondContact NZ-OD1 2.79Å
234	S	93.6	Very high	94.4	Very high	37 Å²	37	46.3 Å²	46.3	26%	0.259	26%	0.257	S	S	.	.			trans	-61.8	151.2	166.1	67.8	0	0	0	0	110.1	A236 M237 G239	S234-A236 PolarHBondContact O-N 2.99Å; S234-M237 CarbonylContact O-C 3.53Å; S234-M237 PolarHBondContact O-N 3.35Å; S234-M237 WeakPolarHBondContact OG-CB 3.31Å; S234-M237 VanDerWaalsContact OG-CG 3.28Å; S234-M237 WeakPolarHBondContact OG-CG 3.31Å; S234-M237 PolarHBondContact OG-N 2.93Å; S234-G239 VanDerWaalsContact O-CA 3.28Å; S234-G239 WeakPolarHBondContact O-CA 3.45Å; S234-G239 PolarHBondContact O-N 2.86Å
235	I	92.9	Very high	94.1	Very high	110 Å²	110	40.6 Å²	40.6	56%	0.564	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-57.7	-39.2	-179.3	-63.4	177.1	0	0	0	110.8	M237 G238	I235-M237 VanDerWaalsContact C-N 3.29Å; I235-M237 PolarHBondContact O-N 2.84Å; I235-G238 PolarHBondContact O-N 3.17Å
236	A	92.5	Very high	93.9	Very high	100 Å²	100	38.2 Å²	38.2	83%	0.826	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-62	-34	177.4	0	0	0	0	0	113	S234 G238	S234-A236 PolarHBondContact O-N 2.99Å; A236-G238 VanDerWaalsContact C-N 3.27Å; A236-G238 PolarHBondContact O-N 3.5Å
237	M	92.5	Very high	93.6	Very high	63 Å²	63	38.6 Å²	38.6	31%	0.31	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-91.3	26.3	178.8	-64.4	-62.2	-69.1	0	0	113.1	K233 S234 I235	K233-M237 HydrophobicContact CB-CB 4.42Å; K233-M237 WeakPolarHBondContact CD-O 3.35Å; K233-M237 WeakPolarHBondContact CE-O 3.4Å; S234-M237 CarbonylContact O-C 3.53Å; S234-M237 PolarHBondContact O-N 3.35Å; S234-M237 WeakPolarHBondContact OG-CB 3.31Å; S234-M237 VanDerWaalsContact OG-CG 3.28Å; S234-M237 WeakPolarHBondContact OG-CG 3.31Å; S234-M237 PolarHBondContact OG-N 2.93Å; I235-M237 VanDerWaalsContact C-N 3.29Å; I235-M237 PolarHBondContact O-N 2.84Å
238	G	93.3	Very high	93.5	Very high	20 Å²	20	35.1 Å²	35.1	21%	0.206	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	9.6	179.6	0	0	0	0	0	114.8	I235 A236 N421	I235-G238 PolarHBondContact O-N 3.17Å; A236-G238 VanDerWaalsContact C-N 3.27Å; A236-G238 PolarHBondContact O-N 3.5Å; G238-N421 PolarHBondContact O-ND2 3.04Å
239	G	94.3	Very high	93.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.			trans	-60.4	168.7	169.9	0	0	0	0	0	113	S234 K420	S234-G239 VanDerWaalsContact O-CA 3.28Å; S234-G239 WeakPolarHBondContact O-CA 3.45Å; S234-G239 PolarHBondContact O-N 2.86Å; G239-K420 PolarHBondContact O-NZ 3.05Å
240	I	94.7	Very high	93.4	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.19	23%	0.234	C	C	.	.			trans	-109.9	149.3	179.7	-160.6	165.9	0	0	0	112	R243 V413 F416 E417 K420	I240-R243 HydrophobicContact CG2-CB 3.95Å; I240-V413 HydrophobicContact CG2-CG1 3.54Å; I240-F416 HydrophobicContact CD1-CB 3.59Å; I240-E417 HydrophobicContact CB-CB 3.9Å; I240-E417 HydrophobicContact CB-CG 4.08Å; I240-E417 HydrophobicContact CG2-CB 3.64Å; I240-E417 HydrophobicContact CG2-CG 4.13Å; I240-K420 HydrophobicContact CG1-CD 4.42Å
241	H	90.4	Very high	93.3	Very high	159 Å²	159	41.2 Å²	41.2	74%	0.736	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	142.9	175.1	-175.2	79.3	0	0	0	111.1	R243	H241-R243 PolarHBondContact O-N 2.67Å
242	G	89.9	Confident	93.3	Very high	24 Å²	24	43.5 Å²	43.5	25%	0.247	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-1.5	173	0	0	0	0	0	115.8	I244 S245 A246	G242-I244 VanDerWaalsContact C-N 3.32Å; G242-I244 PolarHBondContact O-N 2.89Å; G242-S245 CarbonylContact O-C 3.44Å; G242-S245 PolarHBondContact O-N 3.21Å; G242-S245 PolarHBondContact O-OG 3.35Å; G242-A246 PolarHBondContact O-N 3.03Å
243	R	89.4	Confident	93.5	Very high	40 Å²	40	47.4 Å²	47.4	15%	0.151	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.5	-177.3	176.8	55.1	-169.4	81.8	-1.2	113.7	I240 H241 S245 A246 G410 V413 S414	I240-R243 HydrophobicContact CG2-CB 3.95Å; H241-R243 PolarHBondContact O-N 2.67Å; R243-S245 VanDerWaalsContact C-N 3.32Å; R243-S245 PolarHBondContact O-N 3.13Å; R243-A246 VanDerWaalsContact O-CB 3.25Å; R243-A246 WeakPolarHBondContact O-CB 3.31Å; R243-A246 PolarHBondContact O-N 2.84Å; R243-G410 PolarHBondContact NE-O 3.13Å; R243-V413 HydrophobicContact CB-CG1 4.05Å; R243-S414 PolarHBondContact NE-OG 2.92Å
244	I	85.4	Confident	93.5	Very high	93 Å²	93	47.1 Å²	47.1	48%	0.477	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-45	178.3	-59.1	174.3	0	0	0	109.9	P205 G242 A246	P205-I244 HydrophobicContact CG-CD1 4.49Å; G242-I244 VanDerWaalsContact C-N 3.32Å; G242-I244 PolarHBondContact O-N 2.89Å; I244-A246 VanDerWaalsContact C-N 3.3Å; I244-A246 PolarHBondContact O-N 2.76Å
245	S	91.7	Very high	93.7	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.9	178.7	74.2	0	0	0	0	115.6	G242 R243 T247 G248 R249 H290 Y294	G242-S245 CarbonylContact O-C 3.44Å; G242-S245 PolarHBondContact O-N 3.21Å; G242-S245 PolarHBondContact O-OG 3.35Å; R243-S245 VanDerWaalsContact C-N 3.32Å; R243-S245 PolarHBondContact O-N 3.13Å; S245-T247 PolarHBondContact O-N 3.28Å; S245-G248 PolarHBondContact O-N 3.35Å; S245-R249 WeakPolarHBondContact O-CB 3.05Å; S245-R249 PolarHBondContact O-N 2.7Å; S245-H290 WeakPolarHBondContact CA-CD2 3.37Å; S245-H290 WeakPolarHBondContact CB-ND1 3.11Å; S245-Y294 PolarHBondContact OG-OH 2.79Å
246	A	92.6	Very high	93.9	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-41	-168.2	0	0	0	0	0	112.9	G242 R243 I244 R249 G250 V413	G242-A246 PolarHBondContact O-N 3.03Å; R243-A246 VanDerWaalsContact O-CB 3.25Å; R243-A246 WeakPolarHBondContact O-CB 3.31Å; R243-A246 PolarHBondContact O-N 2.84Å; I244-A246 VanDerWaalsContact C-N 3.3Å; I244-A246 PolarHBondContact O-N 2.76Å; A246-R249 PolarHBondContact O-N 2.74Å; A246-G250 PolarHBondContact O-N 3Å; A246-V413 HydrophobicContact CB-CB 3.55Å; A246-V413 HydrophobicContact CB-CG1 4.05Å; A246-V413 HydrophobicContact CB-CG2 3.42Å; A246-V413 VanDerWaalsContact CB-CG2 3.42Å
247	T	91.8	Very high	94.1	Very high	21 Å²	21	41.6 Å²	41.6	13%	0.129	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-50	178.9	-52.9	0	0	0	0	110.3	S245 R249 G250 V251 V287 N407 G410	S245-T247 PolarHBondContact O-N 3.28Å; T247-R249 VanDerWaalsContact C-N 3.32Å; T247-R249 PolarHBondContact O-N 2.67Å; T247-G250 WeakPolarHBondContact O-CA 3.19Å; T247-G250 PolarHBondContact O-N 3.12Å; T247-G250 VanDerWaalsContact O-N 3.07Å; T247-V251 WeakPolarHBondContact O-CG2 3.27Å; T247-V251 PolarHBondContact O-N 3.07Å; T247-V287 HydrophobicContact CG2-CB 4.45Å; T247-V287 HydrophobicContact CG2-CG1 4.02Å; T247-V287 HydrophobicContact CG2-CG2 3.7Å; T247-N407 HydrophobicContact CG2-CB 3.87Å; T247-G410 WeakPolarHBondContact OG1-CA 3.08Å
248	G	94.9	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-33.7	178	0	0	0	0	0	113.6	S245 V251 Y252 T291	S245-G248 PolarHBondContact O-N 3.35Å; G248-V251 PolarHBondContact O-N 3Å; G248-Y252 PolarHBondContact O-N 2.8Å; G248-T291 VanDerWaalsContact CA-OG1 3.25Å; G248-T291 WeakPolarHBondContact CA-OG1 3.36Å
249	R	96.4	Very high	94.5	Very high	112 Å²	112	40.1 Å²	40.1	42%	0.423	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-40.3	171	-168.6	179.7	-81.4	-162.5	-1.9	111.7	S245 A246 T247 Y252 H253 Y294	S245-R249 WeakPolarHBondContact O-CB 3.05Å; S245-R249 PolarHBondContact O-N 2.7Å; A246-R249 PolarHBondContact O-N 2.74Å; T247-R249 VanDerWaalsContact C-N 3.32Å; T247-R249 PolarHBondContact O-N 2.67Å; R249-Y252 WeakPolarHBondContact O-CB 3.49Å; R249-Y252 PolarHBondContact O-N 3.1Å; R249-H253 PolarHBondContact O-CD2 2.9Å; R249-H253 PolarHBondContact O-N 3Å; R249-Y294 HydrophobicContact CB-CD2 3.83Å; R249-Y294 HydrophobicContact CB-CE2 3.47Å; R249-Y294 VanDerWaalsContact CB-CE2 3.47Å; R249-Y294 HydrophobicContact CG-CD2 4.3Å; R249-Y294 HydrophobicContact CG-CE1 4.27Å; R249-Y294 HydrophobicContact CG-CE2 4.06Å; R249-Y294 VanDerWaalsContact NE-CZ 3.28Å; R249-Y294 PolarHBondContact NE-OH 2.89Å; R249-Y294 PolarHBondContact NH2-OH 2.96Å
250	G	96.5	Very high	94.6	Very high	17 Å²	17	43.8 Å²	43.8	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-42.9	174.7	0	0	0	0	0	112.3	A246 T247 Y252 H253 G254 L406	A246-G250 PolarHBondContact O-N 3Å; T247-G250 WeakPolarHBondContact O-CA 3.19Å; T247-G250 PolarHBondContact O-N 3.12Å; T247-G250 VanDerWaalsContact O-N 3.07Å; G250-Y252 PolarHBondContact O-N 2.59Å; G250-H253 PolarHBondContact O-N 3.32Å; G250-G254 PolarHBondContact O-N 2.8Å; G250-L406 CarbonylContact C-O 3.53Å
251	V	97.3	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-47.4	175.3	176.2	0	0	0	0	110.7	T247 G248 H253 G254 I255 V287 T291 I356 L406	T247-V251 WeakPolarHBondContact O-CG2 3.27Å; T247-V251 PolarHBondContact O-N 3.07Å; G248-V251 PolarHBondContact O-N 3Å; V251-H253 PolarHBondContact O-N 3.44Å; V251-G254 PolarHBondContact O-N 2.72Å; V251-I255 HydrophobicContact CG1-CD1 3.77Å; V251-I255 HydrophobicContact CG1-CG1 4.48Å; V251-I255 WeakPolarHBondContact O-CG1 3.43Å; V251-I255 PolarHBondContact O-N 3.28Å; V251-V287 HydrophobicContact CG2-CG1 4.32Å; V251-T291 HydrophobicContact CB-CG2 4.03Å; V251-T291 HydrophobicContact CG1-CG2 3.5Å; V251-I356 HydrophobicContact CG1-CD1 4.18Å; V251-I356 HydrophobicContact CG1-CG2 4.36Å; V251-L406 HydrophobicContact CB-CG 4.25Å; V251-L406 HydrophobicContact CG1-CD1 4.41Å; V251-L406 HydrophobicContact CG1-CD2 3.99Å; V251-L406 HydrophobicContact CG1-CG 4.07Å; V251-L406 HydrophobicContact CG2-CG 4.13Å; V251-L406 PolarHBondContact N-O 3.22Å; V251-L406 WeakPolarHBondContact O-CD1 3.37Å
252	Y	98	Very high	94.8	Very high	49 Å²	49	40.8 Å²	40.8	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-54.1	-53.8	173.1	155.5	-109.2	0	0	0	111.9	G248 R249 G250 G254 I255 D256 L274 L295 A298	G248-Y252 PolarHBondContact O-N 2.8Å; R249-Y252 WeakPolarHBondContact O-CB 3.49Å; R249-Y252 PolarHBondContact O-N 3.1Å; G250-Y252 PolarHBondContact O-N 2.59Å; Y252-G254 VanDerWaalsContact C-N 3.33Å; Y252-G254 PolarHBondContact O-N 3.03Å; Y252-I255 PolarHBondContact O-N 3.45Å; Y252-D256 HydrophobicContact CE2-CB 4.15Å; Y252-D256 VanDerWaalsContact O-CB 3.25Å; Y252-D256 WeakPolarHBondContact O-CB 3.07Å; Y252-D256 PolarHBondContact O-N 3.08Å; Y252-L274 HydrophobicContact CD2-CD1 3.84Å; Y252-L274 HydrophobicContact CE2-CD1 3.5Å; Y252-L295 HydrophobicContact CD2-CD2 4.16Å; Y252-A298 HydrophobicContact CD2-CB 4.4Å; Y252-A298 HydrophobicContact CE2-CB 3.63Å
253	H	97.9	Very high	95.1	Very high	85 Å²	85	47.1 Å²	47.1	39%	0.394	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-39.5	-178.9	-76	-56.1	0	0	0	112.6	R249 G250 V251 D256 N257	R249-H253 PolarHBondContact O-CD2 2.9Å; R249-H253 PolarHBondContact O-N 3Å; G250-H253 PolarHBondContact O-N 3.32Å; V251-H253 PolarHBondContact O-N 3.44Å; H253-D256 PolarHBondContact O-N 3.3Å; H253-N257 WeakPolarHBondContact O-CB 3.39Å; H253-N257 PolarHBondContact O-N 3.32Å; H253-N257 PolarHBondContact O-ND2 3.17Å
254	G	97.5	Very high	95.4	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-47.1	178.2	0	0	0	0	0	111.6	G250 V251 Y252 D256 N257 F258	G250-G254 PolarHBondContact O-N 2.8Å; V251-G254 PolarHBondContact O-N 2.72Å; Y252-G254 VanDerWaalsContact C-N 3.33Å; Y252-G254 PolarHBondContact O-N 3.03Å; G254-D256 VanDerWaalsContact C-N 3.34Å; G254-D256 PolarHBondContact O-N 2.84Å; G254-N257 PolarHBondContact O-N 3.08Å; G254-F258 WeakPolarHBondContact O-CD2 3.46Å; G254-F258 PolarHBondContact O-N 2.89Å
255	I	97.9	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-46.1	175.4	-67.7	169.7	0	0	0	110.7	V251 Y252 N257 F258 L259 L274 I354 I356 L376 I401 L406	V251-I255 HydrophobicContact CG1-CD1 3.77Å; V251-I255 HydrophobicContact CG1-CG1 4.48Å; V251-I255 WeakPolarHBondContact O-CG1 3.43Å; V251-I255 PolarHBondContact O-N 3.28Å; Y252-I255 PolarHBondContact O-N 3.45Å; I255-N257 PolarHBondContact O-N 3.06Å; I255-F258 PolarHBondContact O-N 3.12Å; I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 4.2Å; I255-L259 WeakPolarHBondContact O-CB 3.42Å; I255-L259 PolarHBondContact O-N 3.41Å; I255-L274 HydrophobicContact CG2-CD2 3.97Å; I255-I354 HydrophobicContact CD1-CG2 4.14Å; I255-I354 HydrophobicContact CG2-CD1 4.11Å; I255-I356 HydrophobicContact CD1-CD1 3.44Å; I255-I356 VanDerWaalsContact CD1-CD1 3.44Å; I255-I356 HydrophobicContact CD1-CG1 4.26Å; I255-L376 HydrophobicContact CG1-CD2 4.21Å; I255-L376 HydrophobicContact CG2-CD1 4.43Å; I255-L376 HydrophobicContact CG2-CD2 4.48Å; I255-I401 HydrophobicContact CG1-CD1 4.21Å; I255-L406 HydrophobicContact CG1-CD1 4.29Å; I255-L406 HydrophobicContact CG1-CD2 4.45Å
256	D	97.4	Very high	96	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-42.8	180	-171.5	59.6	0	0	0	112	Y252 H253 G254 F258 N260 L274	Y252-D256 HydrophobicContact CE2-CB 4.15Å; Y252-D256 VanDerWaalsContact O-CB 3.25Å; Y252-D256 WeakPolarHBondContact O-CB 3.07Å; Y252-D256 PolarHBondContact O-N 3.08Å; H253-D256 PolarHBondContact O-N 3.3Å; G254-D256 VanDerWaalsContact C-N 3.34Å; G254-D256 PolarHBondContact O-N 2.84Å; D256-F258 PolarHBondContact O-N 2.87Å; D256-N260 VanDerWaalsContact O-CB 3.23Å; D256-N260 WeakPolarHBondContact O-CB 3.31Å; D256-N260 VanDerWaalsContact O-CG 3.31Å; D256-N260 PolarHBondContact O-N 3.13Å; D256-N260 PolarHBondContact O-ND2 3.34Å; D256-N260 VanDerWaalsContact O-ND2 3.09Å; D256-N260 PolarHBondContact OD1-ND2 3.2Å; D256-N260 PolarHBondContact OD2-ND2 3.42Å; D256-L274 HydrophobicContact CB-CD1 3.94Å; D256-L274 WeakPolarHBondContact OD1-CD1 3.47Å
257	N	97.3	Very high	96.1	Very high	98 Å²	98	51.7 Å²	51.7	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-40.2	176.7	-85.5	-78.3	0	0	0	113	H253 G254 I255	H253-N257 WeakPolarHBondContact O-CB 3.39Å; H253-N257 PolarHBondContact O-N 3.32Å; H253-N257 PolarHBondContact O-ND2 3.17Å; G254-N257 PolarHBondContact O-N 3.08Å; I255-N257 PolarHBondContact O-N 3.06Å
258	F	96.9	Very high	96.3	Very high	50 Å²	50	51.2 Å²	51.2	22%	0.219	26%	0.259	C	S	.	.	H	α-helix	trans	-75.9	-42.2	179	-84.3	-84.3	0	0	0	112.2	G254 I255 D256 N261 Y264 L399 I401 Y405	G254-F258 WeakPolarHBondContact O-CD2 3.46Å; G254-F258 PolarHBondContact O-N 2.89Å; I255-F258 PolarHBondContact O-N 3.12Å; D256-F258 PolarHBondContact O-N 2.87Å; F258-N261 PolarHBondContact O-N 3.47Å; F258-Y264 HydrophobicContact CD1-CD1 4.35Å; F258-Y264 AromaticContact CD1-CD2 3.85Å; F258-Y264 HydrophobicContact CD1-CD2 3.85Å; F258-Y264 HydrophobicContact CD1-CE2 4.08Å; F258-Y264 HydrophobicContact CD1-CG 4.01Å; F258-Y264 HydrophobicContact CE1-CD2 4.31Å; F258-Y264 HydrophobicContact CE1-CE1 4.37Å; F258-Y264 HydrophobicContact CE1-CE2 4.07Å; F258-L399 HydrophobicContact CB-CD2 4.27Å; F258-L399 HydrophobicContact CD1-CD2 4.28Å; F258-I401 HydrophobicContact CB-CD1 3.8Å; F258-I401 HydrophobicContact CD2-CD1 3.68Å; F258-I401 HydrophobicContact CD2-CG1 4.08Å; F258-I401 HydrophobicContact CD2-CG2 4.11Å; F258-I401 HydrophobicContact CE2-CD1 4.49Å; F258-I401 HydrophobicContact CE2-CG2 3.93Å; F258-I401 HydrophobicContact CG-CD1 3.86Å; F258-I401 HydrophobicContact CG-CG1 4.25Å; F258-Y405 HydrophobicContact CD2-CE1 4.27Å; F258-Y405 HydrophobicContact CE2-CD1 4.14Å; F258-Y405 AromaticContact CE2-CE1 3.7Å; F258-Y405 HydrophobicContact CE2-CE1 3.7Å
259	L	96	Very high	96.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-73.5	-28.9	-179.7	-75.5	-179.9	0	0	0	113.3	I255 N261 I268 L270 P272 G273 L274 I354 L376	I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 4.2Å; I255-L259 WeakPolarHBondContact O-CB 3.42Å; I255-L259 PolarHBondContact O-N 3.41Å; L259-N261 PolarHBondContact O-N 3.12Å; L259-I268 HydrophobicContact CD2-CD1 4.27Å; L259-L270 HydrophobicContact CD2-CD1 4.1Å; L259-P272 WeakPolarHBondContact O-CA 3.48Å; L259-G273 PolarHBondContact O-N 2.81Å; L259-L274 HydrophobicContact CD1-CD2 3.74Å; L259-I354 HydrophobicContact CD1-CD1 3.66Å; L259-I354 HydrophobicContact CD1-CG1 4.25Å; L259-L376 HydrophobicContact CD1-CD1 4.14Å; L259-L376 HydrophobicContact CD2-CD1 3.63Å; L259-L376 HydrophobicContact CG-CD1 3.69Å
260	N	96	Very high	96.2	Very high	78 Å²	78	49.7 Å²	49.7	42%	0.417	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.1	173.3	-73.3	-37	0	0	0	113.1	D256 P262 G273	D256-N260 VanDerWaalsContact O-CB 3.23Å; D256-N260 WeakPolarHBondContact O-CB 3.31Å; D256-N260 VanDerWaalsContact O-CG 3.31Å; D256-N260 PolarHBondContact O-N 3.13Å; D256-N260 PolarHBondContact O-ND2 3.34Å; D256-N260 VanDerWaalsContact O-ND2 3.09Å; D256-N260 PolarHBondContact OD1-ND2 3.2Å; D256-N260 PolarHBondContact OD2-ND2 3.42Å; N260-P262 WeakPolarHBondContact O-CD 3.39Å; N260-G273 WeakPolarHBondContact OD1-CA 3.4Å; N260-G273 PolarHBondContact OD1-N 3.19Å
261	N	96	Very high	96.1	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	29%	0.291	S	S	.	.	S	Bend	trans	-88.8	111.9	174.8	-172.3	-37.8	0	0	0	110	F258 L259 K263 Y264 A265	F258-N261 PolarHBondContact O-N 3.47Å; L259-N261 PolarHBondContact O-N 3.12Å; N261-K263 PolarHBondContact O-N 3.46Å; N261-K263 VanDerWaalsContact O-N 3.12Å; N261-K263 WeakPolarHBondContact OD1-CB 3.48Å; N261-K263 PolarHBondContact OD1-N 2.95Å; N261-K263 VanDerWaalsContact OD1-N 3.13Å; N261-Y264 HydrophobicContact CB-CD2 3.9Å; N261-Y264 PolarHBondContact O-N 3.18Å; N261-A265 PolarHBondContact O-N 3.17Å; N261-A265 VanDerWaalsContact O-N 3.07Å
262	P	94.4	Very high	96	Very high	71 Å²	71	55.6 Å²	55.6	46%	0.461	31%	0.311	S	S	.	.	H	α-helix	trans	-55.6	-36.5	-175.3	-25.9	35.2	0	0	0	113.2	N260 Y264 A265 D266 P272	N260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-Y264 VanDerWaalsContact C-N 3.31Å; P262-Y264 PolarHBondContact O-N 3.4Å; P262-A265 PolarHBondContact O-N 2.99Å; P262-D266 VanDerWaalsContact O-CB 3.25Å; P262-D266 WeakPolarHBondContact O-CB 3.43Å; P262-D266 PolarHBondContact O-N 3.17Å; P262-P272 HydrophobicContact CB-CG 4.35Å; P262-P272 HydrophobicContact CG-CG 4.38Å
263	K	95.9	Very high	95.9	Very high	156 Å²	156	53.9 Å²	53.9	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-57.9	-42.5	179.3	-177.7	-176.8	176.2	-179.1	0	112.5	N261 A267	N261-K263 PolarHBondContact O-N 3.46Å; N261-K263 VanDerWaalsContact O-N 3.12Å; N261-K263 WeakPolarHBondContact OD1-CB 3.48Å; N261-K263 PolarHBondContact OD1-N 2.95Å; N261-K263 VanDerWaalsContact OD1-N 3.13Å; K263-A267 WeakPolarHBondContact O-CB 3.41Å; K263-A267 PolarHBondContact O-N 3.01Å
264	Y	95.5	Very high	95.8	Very high	90 Å²	90	50.2 Å²	50.2	35%	0.353	29%	0.291	S	S	.	.	H	α-helix	trans	-82.2	-38	-178.7	-69.6	-67.8	0	0	0	111.7	F258 N261 P262 A267 I268	F258-Y264 HydrophobicContact CD1-CD1 4.35Å; F258-Y264 AromaticContact CD1-CD2 3.85Å; F258-Y264 HydrophobicContact CD1-CD2 3.85Å; F258-Y264 HydrophobicContact CD1-CE2 4.08Å; F258-Y264 HydrophobicContact CD1-CG 4.01Å; F258-Y264 HydrophobicContact CE1-CD2 4.31Å; F258-Y264 HydrophobicContact CE1-CE1 4.37Å; F258-Y264 HydrophobicContact CE1-CE2 4.07Å; N261-Y264 HydrophobicContact CB-CD2 3.9Å; N261-Y264 PolarHBondContact O-N 3.18Å; P262-Y264 VanDerWaalsContact C-N 3.31Å; P262-Y264 PolarHBondContact O-N 3.4Å; Y264-A267 PolarHBondContact O-N 2.81Å; Y264-I268 PolarHBondContact O-N 3.42Å
265	A	95.1	Very high	95.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-49.2	177.3	0	0	0	0	0	111.4	N261 P262 A267 I268 G269 L270 P272	N261-A265 PolarHBondContact O-N 3.17Å; N261-A265 VanDerWaalsContact O-N 3.07Å; P262-A265 PolarHBondContact O-N 2.99Å; A265-A267 VanDerWaalsContact C-N 3.32Å; A265-A267 PolarHBondContact O-N 3.22Å; A265-I268 VanDerWaalsContact O-CG1 3.31Å; A265-I268 WeakPolarHBondContact O-CG1 3.33Å; A265-I268 PolarHBondContact O-N 3.04Å; A265-G269 PolarHBondContact O-N 3.48Å; A265-G269 VanDerWaalsContact O-N 3.14Å; A265-L270 CarbonylContact C-O 3.59Å; A265-L270 WeakPolarHBondContact CB-O 3.48Å; A265-L270 PolarHBondContact O-N 3.26Å; A265-L270 VanDerWaalsContact O-O 3.08Å; A265-P272 HydrophobicContact CB-CG 4.09Å
266	D	95	Very high	95.5	Very high	110 Å²	110	63.3 Å²	63.3	59%	0.588	35%	0.354	S	S	*	.	H	α-helix	trans	-62.7	-39.2	178.5	-66.9	-18.7	0	0	0	111.5	P262 I268 G269	P262-D266 VanDerWaalsContact O-CB 3.25Å; P262-D266 WeakPolarHBondContact O-CB 3.43Å; P262-D266 PolarHBondContact O-N 3.17Å; D266-I268 PolarHBondContact O-N 3.39Å; D266-G269 PolarHBondContact O-N 3.11Å
267	A	94.5	Very high	95.5	Very high	50 Å²	50	62.2 Å²	62.2	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-32	179.4	0	0	0	0	0	112.9	K263 Y264 A265 N397	K263-A267 WeakPolarHBondContact O-CB 3.41Å; K263-A267 PolarHBondContact O-N 3.01Å; Y264-A267 PolarHBondContact O-N 2.81Å; A265-A267 VanDerWaalsContact C-N 3.32Å; A265-A267 PolarHBondContact O-N 3.22Å; A267-N397 PolarHBondContact O-ND2 3.05Å
268	I	95.5	Very high	95.6	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.062	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.8	176.9	63.7	178.6	0	0	0	113.7	L259 Y264 A265 D266 L270 K375 L376 L399	L259-I268 HydrophobicContact CD2-CD1 4.27Å; Y264-I268 PolarHBondContact O-N 3.42Å; A265-I268 VanDerWaalsContact O-CG1 3.31Å; A265-I268 WeakPolarHBondContact O-CG1 3.33Å; A265-I268 PolarHBondContact O-N 3.04Å; D266-I268 PolarHBondContact O-N 3.39Å; I268-L270 HydrophobicContact CD1-CB 4.49Å; I268-L270 HydrophobicContact CD1-CD1 3.8Å; I268-L270 HydrophobicContact CD1-CG 4.17Å; I268-L270 HydrophobicContact CG1-CB 4.19Å; I268-L270 HydrophobicContact CG1-CD1 4.25Å; I268-L270 HydrophobicContact CG1-CG 4.05Å; I268-K375 HydrophobicContact CB-CB 4.38Å; I268-K375 HydrophobicContact CD1-CB 4.33Å; I268-L376 HydrophobicContact CD1-CB 4.2Å; I268-L376 HydrophobicContact CD1-CD1 4.49Å; I268-L399 HydrophobicContact CD1-CB 4.15Å; I268-L399 HydrophobicContact CD1-CD2 4.31Å; I268-L399 HydrophobicContact CG2-CB 3.61Å
269	G	94.2	Very high	95.7	Very high	64 Å²	64	56.9 Å²	56.9	66%	0.66	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	30.9	179.2	0	0	0	0	0	114.1	A265 D266	A265-G269 PolarHBondContact O-N 3.48Å; A265-G269 VanDerWaalsContact O-N 3.14Å; D266-G269 PolarHBondContact O-N 3.11Å
270	L	95.1	Very high	95.8	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.084	32%	0.322	C	S	.	.			trans	-111.4	147.8	174	-67.5	-174	0	0	0	110.7	L259 A265 I268 D353 K375	L259-L270 HydrophobicContact CD2-CD1 4.1Å; A265-L270 CarbonylContact C-O 3.59Å; A265-L270 WeakPolarHBondContact CB-O 3.48Å; A265-L270 PolarHBondContact O-N 3.26Å; A265-L270 VanDerWaalsContact O-O 3.08Å; I268-L270 HydrophobicContact CD1-CB 4.49Å; I268-L270 HydrophobicContact CD1-CD1 3.8Å; I268-L270 HydrophobicContact CD1-CG 4.17Å; I268-L270 HydrophobicContact CG1-CB 4.19Å; I268-L270 HydrophobicContact CG1-CD1 4.25Å; I268-L270 HydrophobicContact CG1-CG 4.05Å; L270-D353 HydrophobicContact CD1-CB 4.04Å; L270-D353 HydrophobicContact CD2-CB 4.29Å; L270-D353 VanDerWaalsContact CD2-OD1 3.25Å; L270-D353 WeakPolarHBondContact CD2-OD1 3.47Å; L270-K375 HydrophobicContact CD1-CB 3.95Å; L270-K375 HydrophobicContact CD1-CG 4.48Å; L270-K375 HydrophobicContact CD2-CB 4.44Å; L270-K375 HydrophobicContact CD2-CG 4.08Å; L270-K375 HydrophobicContact CG-CB 4.1Å; L270-K375 HydrophobicContact CG-CG 4.25Å
271	S	95	Very high	95.9	Very high	76 Å²	76	53.1 Å²	53.1	53%	0.531	30%	0.302	S	S	.	.			trans	-71.6	146.2	168.8	56.6	0	0	0	0	111	K277	S271-K277 VanDerWaalsContact O-CE 3.29Å; S271-K277 WeakPolarHBondContact O-CE 3.26Å; S271-K277 PolarHBondContact O-NZ 2.83Å; S271-K277 PolarHBondContact OG-NZ 3.34Å
272	P	95.9	Very high	96	Very high	65 Å²	65	51.1 Å²	51.1	42%	0.422	29%	0.291	S	S	.	.	S	Bend	trans	-57.4	145.2	175.4	-26.6	34.9	0	0	0	113.4	L259 P262 A265	L259-P272 WeakPolarHBondContact O-CA 3.48Å; P262-P272 HydrophobicContact CB-CG 4.35Å; P262-P272 HydrophobicContact CG-CG 4.38Å; A265-P272 HydrophobicContact CB-CG 4.09Å
273	G	95.2	Very high	96	Very high	13 Å²	13	47.9 Å²	47.9	13%	0.134	27%	0.271	C	S	.	.	S	Bend	trans	92.6	161.4	177.4	0	0	0	0	0	116	L259 N260 K277	L259-G273 PolarHBondContact O-N 2.81Å; N260-G273 WeakPolarHBondContact OD1-CA 3.4Å; N260-G273 PolarHBondContact OD1-N 3.19Å; G273-K277 WeakPolarHBondContact O-CG 3.38Å; G273-K277 PolarHBondContact O-NZ 3.18Å
274	L	96.1	Very high	95.9	Very high	7 Å²	7	41 Å²	41	4%	0.037	24%	0.241	C	C	.	.	S	Bend	trans	-89.2	-21.4	-174	-77.9	171.5	0	0	0	114.6	Y252 I255 D256 L259 D276 K277 L295 A298 A300 I354	Y252-L274 HydrophobicContact CD2-CD1 3.84Å; Y252-L274 HydrophobicContact CE2-CD1 3.5Å; I255-L274 HydrophobicContact CG2-CD2 3.97Å; D256-L274 HydrophobicContact CB-CD1 3.94Å; D256-L274 WeakPolarHBondContact OD1-CD1 3.47Å; L259-L274 HydrophobicContact CD1-CD2 3.74Å; L274-D276 PolarHBondContact O-N 3.11Å; L274-K277 WeakPolarHBondContact O-CB 3.47Å; L274-K277 PolarHBondContact O-N 2.99Å; L274-L295 HydrophobicContact CD1-CD2 4.05Å; L274-L295 HydrophobicContact CD2-CD2 3.74Å; L274-A298 HydrophobicContact CB-CB 4.33Å; L274-A298 HydrophobicContact CD1-CB 3.86Å; L274-A300 WeakPolarHBondContact O-CA 3.24Å; L274-A300 WeakPolarHBondContact O-CB 3.34Å; L274-I354 HydrophobicContact CD2-CD1 3.97Å
275	K	95.6	Very high	95.7	Very high	150 Å²	150	38.8 Å²	38.8	65%	0.652	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	133.9	-178	-167.9	-177.2	172.4	-178.9	0	110.2	K277	K275-K277 PolarHBondContact O-N 2.76Å; K275-K277 VanDerWaalsContact O-N 3.08Å
276	D	93.7	Very high	95.2	Very high	127 Å²	127	44 Å²	44	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	2.5	178.9	-50.6	-47.2	0	0	0	115.2	L274 G299	L274-D276 PolarHBondContact O-N 3.11Å; D276-G299 PolarHBondContact N-O 2.83Å
277	K	97.6	Very high	95	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.043	25%	0.254	C	S	.	.			trans	-72.6	140.5	172.4	-64.2	-63.2	-172.3	-57.3	0	110.9	S271 G273 L274 K275 A300 K301 D353 I354	S271-K277 VanDerWaalsContact O-CE 3.29Å; S271-K277 WeakPolarHBondContact O-CE 3.26Å; S271-K277 PolarHBondContact O-NZ 2.83Å; S271-K277 PolarHBondContact OG-NZ 3.34Å; G273-K277 WeakPolarHBondContact O-CG 3.38Å; G273-K277 PolarHBondContact O-NZ 3.18Å; L274-K277 WeakPolarHBondContact O-CB 3.47Å; L274-K277 PolarHBondContact O-N 2.99Å; K275-K277 PolarHBondContact O-N 2.76Å; K275-K277 VanDerWaalsContact O-N 3.08Å; K277-A300 CarbonylContact O-C 3.37Å; K277-A300 VanDerWaalsContact O-CA 3.31Å; K277-A300 WeakPolarHBondContact O-CA 3.08Å; K277-A300 WeakPolarHBondContact O-CB 3.21Å; K277-K301 PolarHBondContact O-N 3.41Å; K277-D353 WeakPolarHBondContact CA-OD2 3.2Å; K277-D353 HydrophobicContact CB-CB 4.28Å; K277-D353 HydrophobicContact CD-CB 3.99Å; K277-I354 HydrophobicContact CB-CD1 4.28Å
278	T	98.5	Very high	95.1	Very high	36 Å²	36	37.9 Å²	37.9	22%	0.221	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.3	175.7	58	0	0	0	0	111.3	K301 I303 C352 D353 I354	T278-K301 CarbonylContact C-O 3.49Å; T278-K301 WeakPolarHBondContact CA-O 3.39Å; T278-I303 HydrophobicContact CG2-CG2 3.92Å; T278-C352 WeakPolarHBondContact OG1-CA 3.17Å; T278-D353 PolarHBondContact N-OD2 3.36Å; T278-D353 WeakPolarHBondContact O-CB 3.33Å; T278-D353 PolarHBondContact O-N 3.38Å; T278-D353 PolarHBondContact OG1-N 2.92Å; T278-D353 VanDerWaalsContact OG1-N 3.13Å; T278-D353 PolarHBondContact OG1-OD2 3.07Å; T278-I354 PolarHBondContact O-N 3.25Å
279	F	98.7	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.2	177.3	72.9	-88.2	0	0	0	113.8	V281 M292 L295 V296 A300 K301 C302 I303 I354	F279-V281 HydrophobicContact CD2-CG2 3.64Å; F279-V281 HydrophobicContact CE2-CG2 3.57Å; F279-M292 HydrophobicContact CE2-CB 4.18Å; F279-M292 HydrophobicContact CE2-CG 4.01Å; F279-M292 HydrophobicContact CZ-CB 4.35Å; F279-M292 HydrophobicContact CZ-CG 3.94Å; F279-L295 HydrophobicContact CD1-CB 4.2Å; F279-L295 HydrophobicContact CD1-CD1 4.27Å; F279-L295 HydrophobicContact CD2-CD1 3.93Å; F279-L295 HydrophobicContact CE1-CB 3.59Å; F279-L295 HydrophobicContact CE1-CD1 4.28Å; F279-L295 HydrophobicContact CE2-CB 4.33Å; F279-L295 HydrophobicContact CE2-CD1 3.95Å; F279-L295 HydrophobicContact CG-CD1 4.08Å; F279-L295 HydrophobicContact CZ-CB 3.65Å; F279-L295 HydrophobicContact CZ-CD1 4.11Å; F279-V296 HydrophobicContact CE1-CG2 4.06Å; F279-V296 HydrophobicContact CZ-CG2 3.89Å; F279-A300 HydrophobicContact CD1-CB 3.81Å; F279-A300 HydrophobicContact CE1-CB 3.89Å; F279-K301 VanDerWaalsContact CD1-C 3.48Å; F279-K301 VanDerWaalsContact CD1-O 3.29Å; F279-K301 WeakPolarHBondContact CD1-O 3.47Å; F279-K301 VanDerWaalsContact CE1-C 3.47Å; F279-K301 PolarHBondContact N-O 3.06Å; F279-C302 HydrophobicContact CD2-CB 4.41Å; F279-C302 HydrophobicContact CE1-CB 3.86Å; F279-C302 VanDerWaalsContact CE1-N 3.28Å; F279-C302 HydrophobicContact CE2-CB 3.71Å; F279-C302 HydrophobicContact CZ-CB 3.41Å; F279-C302 VanDerWaalsContact CZ-CB 3.41Å; F279-C302 WeakPolarHBondContact O-CA 3.07Å; F279-I303 PolarHBondContact O-N 3.36Å; F279-I354 CarbonylContact C-O 3.45Å; F279-I354 WeakPolarHBondContact CA-O 3.46Å; F279-I354 HydrophobicContact CB-CB 3.78Å; F279-I354 HydrophobicContact CB-CG2 4.31Å; F279-I354 WeakPolarHBondContact CB-O 3.5Å
280	I	98.5	Very high	95.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.9	176.3	-67.7	174.8	0	0	0	108.6	I303 G304 L347 E350 C352 I354 L355 I356	I280-I303 HydrophobicContact CD1-CD1 4.3Å; I280-I303 HydrophobicContact CD1-CG1 4.23Å; I280-I303 HydrophobicContact CG1-CD1 4.24Å; I280-I303 HydrophobicContact CG1-CG1 3.71Å; I280-G304 WeakPolarHBondContact CA-O 3.27Å; I280-L347 HydrophobicContact CD1-CD1 4.3Å; I280-L347 HydrophobicContact CD1-CG 4.23Å; I280-L347 WeakPolarHBondContact CD1-O 3.48Å; I280-L347 HydrophobicContact CG2-CD2 3.96Å; I280-L347 HydrophobicContact CG2-CG 3.81Å; I280-E350 HydrophobicContact CD1-CB 3.78Å; I280-E350 HydrophobicContact CD1-CG 4.37Å; I280-C352 HydrophobicContact CD1-CB 3.97Å; I280-C352 HydrophobicContact CG1-CB 4Å; I280-I354 PolarHBondContact N-O 2.9Å; I280-L355 HydrophobicContact CB-CD1 4.07Å; I280-L355 HydrophobicContact CG2-CD1 3.89Å; I280-I356 PolarHBondContact O-N 2.99Å
281	V	98.2	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.5	176.7	-169.2	0	0	0	0	109.9	F279 G283 G304 I305 A306 I356 A358	F279-V281 HydrophobicContact CD2-CG2 3.64Å; F279-V281 HydrophobicContact CE2-CG2 3.57Å; V281-G283 WeakPolarHBondContact CG1-O 3.23Å; V281-G304 PolarHBondContact N-O 2.85Å; V281-I305 HydrophobicContact CB-CD1 3.72Å; V281-I305 HydrophobicContact CG2-CD1 4.04Å; V281-I305 WeakPolarHBondContact O-CA 3.31Å; V281-A306 PolarHBondContact O-N 2.92Å; V281-I356 WeakPolarHBondContact CA-O 3.28Å; V281-I356 HydrophobicContact CG1-CB 4.36Å; V281-I356 HydrophobicContact CG1-CG2 4.38Å; V281-I356 HydrophobicContact CG2-CB 4.36Å; V281-A358 HydrophobicContact CG1-CB 4.23Å
282	Q	97.1	Very high	95.5	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.093	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119	167.5	-176.2	-158.6	25	0	0	108.9	A306 L348 I356 A358 A359	Q282-A306 CarbonylContact C-O 3.16Å; Q282-A306 HydrophobicContact CB-CB 4.49Å; Q282-A306 HydrophobicContact CG-CB 4.31Å; Q282-L348 HydrophobicContact CB-CD1 4.16Å; Q282-L348 HydrophobicContact CG-CD1 4.09Å; Q282-I356 PolarHBondContact N-O 2.83Å; Q282-A358 CarbonylContact O-C 3.56Å; Q282-A358 WeakPolarHBondContact O-CA 3.45Å; Q282-A358 WeakPolarHBondContact O-CB 3.2Å; Q282-A358 PolarHBondContact O-N 2.8Å; Q282-A359 HydrophobicContact CG-CB 4.1Å; Q282-A359 PolarHBondContact O-N 3.16Å; Q282-A359 VanDerWaalsContact O-N 3.17Å
283	G	94.8	Very high	95.6	Very high	4 Å²	4	32.4 Å²	32.4	4%	0.041	17%	0.174	C	C	.	.			trans	92.2	125.5	-174.1	0	0	0	0	0	111	V281 G288 A306	V281-G283 WeakPolarHBondContact CG1-O 3.23Å; G283-G288 WeakPolarHBondContact O-CA 3.32Å; G283-A306 PolarHBondContact N-O 3.27Å
284	F	95	Very high	95.8	Very high	12 Å²	12	33 Å²	33	5%	0.053	17%	0.172	C	C	.	.			trans	-109.9	20.1	178.5	-161.7	-119.9	0	0	0	112.4	L289 M292 I305 E307 L323 Q327 I333	F284-L289 HydrophobicContact CD2-CB 4.35Å; F284-L289 HydrophobicContact CE1-CD1 4.29Å; F284-L289 HydrophobicContact CE2-CB 4.13Å; F284-L289 HydrophobicContact CE2-CD1 3.83Å; F284-L289 HydrophobicContact CZ-CB 4.41Å; F284-L289 HydrophobicContact CZ-CD1 3.54Å; F284-M292 HydrophobicContact CE2-SD 3.7Å; F284-I305 HydrophobicContact CB-CG2 3.89Å; F284-I305 HydrophobicContact CD2-CD1 4.33Å; F284-I305 HydrophobicContact CD2-CG2 4.05Å; F284-I305 HydrophobicContact CG-CG2 4.17Å; F284-E307 VanDerWaalsContact CA-OE1 3.27Å; F284-E307 WeakPolarHBondContact CA-OE1 3.38Å; F284-E307 HydrophobicContact CB-CG 3.88Å; F284-E307 VanDerWaalsContact CB-OE1 3.31Å; F284-E307 WeakPolarHBondContact CB-OE1 3.36Å; F284-E307 PolarHBondContact N-OE1 3.33Å; F284-L323 HydrophobicContact CD1-CD2 4.45Å; F284-L323 HydrophobicContact CD2-CD2 4.13Å; F284-L323 HydrophobicContact CE1-CB 4.5Å; F284-L323 HydrophobicContact CE1-CD2 3.99Å; F284-L323 HydrophobicContact CE1-CG 3.78Å; F284-L323 HydrophobicContact CE2-CD2 3.65Å; F284-L323 HydrophobicContact CE2-CG 4.25Å; F284-L323 HydrophobicContact CZ-CB 4.04Å; F284-L323 HydrophobicContact CZ-CD2 3.56Å; F284-L323 HydrophobicContact CZ-CG 3.62Å; F284-Q327 HydrophobicContact CD1-CB 4.36Å; F284-Q327 HydrophobicContact CD1-CG 4.23Å; F284-Q327 HydrophobicContact CE1-CB 4.1Å; F284-Q327 HydrophobicContact CE1-CG 4.4Å; F284-I333 HydrophobicContact CB-CG2 4.32Å; F284-I333 HydrophobicContact CD1-CG2 3.74Å; F284-I333 HydrophobicContact CE1-CG2 4.36Å; F284-I333 HydrophobicContact CG-CG2 4.18Å
285	G	89.9	Confident	95.9	Very high	42 Å²	42	32.6 Å²	32.6	43%	0.433	17%	0.17	S	C	.	.	S	Bend	trans	-70.3	-167.8	168.3	0	0	0	0	0	113.3	V287 G288 L289	G285-V287 VanDerWaalsContact C-N 3.27Å; G285-V287 PolarHBondContact O-N 3.03Å; G285-V287 VanDerWaalsContact O-N 3.09Å; G285-G288 PolarHBondContact O-N 3.21Å; G285-G288 VanDerWaalsContact O-N 3.1Å; G285-L289 WeakPolarHBondContact O-CB 3.4Å; G285-L289 PolarHBondContact O-N 2.99Å
286	N	86.1	Confident	96	Very high	109 Å²	109	27.5 Å²	27.5	58%	0.583	15%	0.151	S	C	*	.	H	α-helix	trans	-49.3	-42.4	-176.1	-73	-31.5	0	0	0	114.2	H290	N286-H290 WeakPolarHBondContact O-CB 3.21Å; N286-H290 PolarHBondContact O-CD2 3.33Å; N286-H290 PolarHBondContact O-N 3.05Å
287	V	90.9	Very high	96.1	Very high	32 Å²	32	29.9 Å²	29.9	19%	0.194	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-50.9	-180	-178.5	0	0	0	0	110.4	T247 V251 G285 T291 A358	T247-V287 HydrophobicContact CG2-CB 4.45Å; T247-V287 HydrophobicContact CG2-CG1 4.02Å; T247-V287 HydrophobicContact CG2-CG2 3.7Å; V251-V287 HydrophobicContact CG2-CG1 4.32Å; G285-V287 VanDerWaalsContact C-N 3.27Å; G285-V287 PolarHBondContact O-N 3.03Å; G285-V287 VanDerWaalsContact O-N 3.09Å; V287-T291 VanDerWaalsContact O-CB 3.24Å; V287-T291 WeakPolarHBondContact O-CB 3.39Å; V287-T291 PolarHBondContact O-N 3.06Å; V287-T291 PolarHBondContact O-OG1 3.07Å; V287-A358 HydrophobicContact CB-CB 4.19Å; V287-A358 HydrophobicContact CG1-CB 3.94Å
288	G	95.7	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-53.3	-176.6	0	0	0	0	0	113.5	G283 G285 H290 T291 M292	G283-G288 WeakPolarHBondContact O-CA 3.32Å; G285-G288 PolarHBondContact O-N 3.21Å; G285-G288 VanDerWaalsContact O-N 3.1Å; G288-H290 PolarHBondContact O-N 3.12Å; G288-T291 PolarHBondContact O-N 3.41Å; G288-M292 WeakPolarHBondContact O-CB 3.46Å; G288-M292 PolarHBondContact O-N 3.44Å
289	L	96.1	Very high	96	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-53.5	-51.6	178.3	167.3	63.3	0	0	0	111.7	F284 G285 M292 R293 E324	F284-L289 HydrophobicContact CD2-CB 4.35Å; F284-L289 HydrophobicContact CE1-CD1 4.29Å; F284-L289 HydrophobicContact CE2-CB 4.13Å; F284-L289 HydrophobicContact CE2-CD1 3.83Å; F284-L289 HydrophobicContact CZ-CB 4.41Å; F284-L289 HydrophobicContact CZ-CD1 3.54Å; G285-L289 WeakPolarHBondContact O-CB 3.4Å; G285-L289 PolarHBondContact O-N 2.99Å; L289-M292 PolarHBondContact O-N 3.18Å; L289-R293 HydrophobicContact CD1-CG 4.28Å; L289-R293 WeakPolarHBondContact O-CG 3.13Å; L289-R293 PolarHBondContact O-N 2.75Å; L289-E324 HydrophobicContact CD1-CB 3.92Å; L289-E324 HydrophobicContact CD1-CG 4.11Å; L289-E324 HydrophobicContact CD2-CG 4.11Å; L289-E324 WeakPolarHBondContact CD2-OE1 3.45Å
290	H	96.7	Very high	96	Very high	17 Å²	17	31 Å²	31	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-35.6	-177.6	-71.6	-56	0	0	0	112.2	S245 N286 G288 R293 Y294	S245-H290 WeakPolarHBondContact CA-CD2 3.37Å; S245-H290 WeakPolarHBondContact CB-ND1 3.11Å; N286-H290 WeakPolarHBondContact O-CB 3.21Å; N286-H290 PolarHBondContact O-CD2 3.33Å; N286-H290 PolarHBondContact O-N 3.05Å; G288-H290 PolarHBondContact O-N 3.12Å; H290-R293 PolarHBondContact O-N 3Å; H290-Y294 HydrophobicContact CB-CE2 4.34Å; H290-Y294 WeakPolarHBondContact O-CD2 3.38Å; H290-Y294 PolarHBondContact O-N 2.84Å; H290-Y294 VanDerWaalsContact O-N 3.09Å
291	T	97.9	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-48.3	173.5	-57.6	0	0	0	0	110.7	G248 V251 V287 G288 R293 Y294 L295 I356	G248-T291 VanDerWaalsContact CA-OG1 3.25Å; G248-T291 WeakPolarHBondContact CA-OG1 3.36Å; V251-T291 HydrophobicContact CB-CG2 4.03Å; V251-T291 HydrophobicContact CG1-CG2 3.5Å; V287-T291 VanDerWaalsContact O-CB 3.24Å; V287-T291 WeakPolarHBondContact O-CB 3.39Å; V287-T291 PolarHBondContact O-N 3.06Å; V287-T291 PolarHBondContact O-OG1 3.07Å; G288-T291 PolarHBondContact O-N 3.41Å; T291-R293 VanDerWaalsContact C-N 3.34Å; T291-R293 PolarHBondContact O-N 3.27Å; T291-Y294 PolarHBondContact O-N 3.19Å; T291-L295 HydrophobicContact CG2-CD1 3.71Å; T291-L295 HydrophobicContact CG2-CG 4.31Å; T291-L295 WeakPolarHBondContact O-CB 3.23Å; T291-L295 WeakPolarHBondContact O-CG 3.18Å; T291-L295 PolarHBondContact O-N 3.24Å; T291-I356 HydrophobicContact CG2-CD1 3.4Å; T291-I356 VanDerWaalsContact CG2-CD1 3.4Å; T291-I356 HydrophobicContact CG2-CG2 4.21Å
292	M	98.3	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-47.8	176.4	-175.4	-167.6	172	0	0	111.2	F279 F284 G288 L289 Y294 L295 V296 C302 I305 I318 P320 L323	F279-M292 HydrophobicContact CE2-CB 4.18Å; F279-M292 HydrophobicContact CE2-CG 4.01Å; F279-M292 HydrophobicContact CZ-CB 4.35Å; F279-M292 HydrophobicContact CZ-CG 3.94Å; F284-M292 HydrophobicContact CE2-SD 3.7Å; G288-M292 WeakPolarHBondContact O-CB 3.46Å; G288-M292 PolarHBondContact O-N 3.44Å; L289-M292 PolarHBondContact O-N 3.18Å; M292-Y294 PolarHBondContact O-N 2.81Å; M292-L295 PolarHBondContact O-N 3.43Å; M292-V296 HydrophobicContact CG-CG2 4.36Å; M292-V296 WeakPolarHBondContact O-CB 3.38Å; M292-V296 WeakPolarHBondContact O-CG2 3.49Å; M292-V296 PolarHBondContact O-N 3.34Å; M292-C302 HydrophobicContact CE-CB 3.7Å; M292-C302 HydrophobicContact CG-CB 3.95Å; M292-C302 HydrophobicContact SD-CB 4.44Å; M292-I305 HydrophobicContact SD-CD1 3.82Å; M292-I305 HydrophobicContact SD-CG1 4.37Å; M292-I318 HydrophobicContact CE-CB 3.87Å; M292-I318 HydrophobicContact CE-CG2 3.67Å; M292-I318 WeakPolarHBondContact CE-O 3.48Å; M292-P320 VanDerWaalsContact CE-CA 3.45Å; M292-P320 HydrophobicContact CE-CB 3.77Å; M292-P320 HydrophobicContact CG-CB 4Å; M292-P320 HydrophobicContact SD-CB 3.78Å; M292-L323 HydrophobicContact CE-CD2 4.48Å; M292-L323 HydrophobicContact SD-CD2 4.46Å
293	R	97.8	Very high	96	Very high	84 Å²	84	34.4 Å²	34.4	32%	0.317	18%	0.184	S	C	.	.	H	α-helix	trans	-57.3	-43.4	178.2	-75.8	179.3	63.1	-168.4	0.5	113.4	L289 H290 T291 R297 P320	L289-R293 HydrophobicContact CD1-CG 4.28Å; L289-R293 WeakPolarHBondContact O-CG 3.13Å; L289-R293 PolarHBondContact O-N 2.75Å; H290-R293 PolarHBondContact O-N 3Å; T291-R293 VanDerWaalsContact C-N 3.34Å; T291-R293 PolarHBondContact O-N 3.27Å; R293-R297 VanDerWaalsContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CB 3.38Å; R293-R297 PolarHBondContact O-N 3.09Å; R293-R297 VanDerWaalsContact O-N 3.13Å; R293-P320 HydrophobicContact CG-CB 3.61Å; R293-P320 HydrophobicContact CG-CG 4.02Å
294	Y	98	Very high	96.2	Very high	25 Å²	25	34.2 Å²	34.2	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-75.8	-38.3	-178.4	-71.2	-63.9	0	0	0	112.5	S245 R249 H290 T291 M292 R297 A298	S245-Y294 PolarHBondContact OG-OH 2.79Å; R249-Y294 HydrophobicContact CB-CD2 3.83Å; R249-Y294 HydrophobicContact CB-CE2 3.47Å; R249-Y294 VanDerWaalsContact CB-CE2 3.47Å; R249-Y294 HydrophobicContact CG-CD2 4.3Å; R249-Y294 HydrophobicContact CG-CE1 4.27Å; R249-Y294 HydrophobicContact CG-CE2 4.06Å; R249-Y294 VanDerWaalsContact NE-CZ 3.28Å; R249-Y294 PolarHBondContact NE-OH 2.89Å; R249-Y294 PolarHBondContact NH2-OH 2.96Å; H290-Y294 HydrophobicContact CB-CE2 4.34Å; H290-Y294 WeakPolarHBondContact O-CD2 3.38Å; H290-Y294 PolarHBondContact O-N 2.84Å; H290-Y294 VanDerWaalsContact O-N 3.09Å; T291-Y294 PolarHBondContact O-N 3.19Å; M292-Y294 PolarHBondContact O-N 2.81Å; Y294-R297 PolarHBondContact O-N 3.24Å; Y294-A298 PolarHBondContact O-N 2.91Å
295	L	98.2	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-44.7	175.5	-72.3	173	0	0	0	112	Y252 L274 F279 T291 M292 R297 A298 G299 A300 I356	Y252-L295 HydrophobicContact CD2-CD2 4.16Å; L274-L295 HydrophobicContact CD1-CD2 4.05Å; L274-L295 HydrophobicContact CD2-CD2 3.74Å; F279-L295 HydrophobicContact CD1-CB 4.2Å; F279-L295 HydrophobicContact CD1-CD1 4.27Å; F279-L295 HydrophobicContact CD2-CD1 3.93Å; F279-L295 HydrophobicContact CE1-CB 3.59Å; F279-L295 HydrophobicContact CE1-CD1 4.28Å; F279-L295 HydrophobicContact CE2-CB 4.33Å; F279-L295 HydrophobicContact CE2-CD1 3.95Å; F279-L295 HydrophobicContact CG-CD1 4.08Å; F279-L295 HydrophobicContact CZ-CB 3.65Å; F279-L295 HydrophobicContact CZ-CD1 4.11Å; T291-L295 HydrophobicContact CG2-CD1 3.71Å; T291-L295 HydrophobicContact CG2-CG 4.31Å; T291-L295 WeakPolarHBondContact O-CB 3.23Å; T291-L295 WeakPolarHBondContact O-CG 3.18Å; T291-L295 PolarHBondContact O-N 3.24Å; M292-L295 PolarHBondContact O-N 3.43Å; L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.49Å; L295-A298 PolarHBondContact O-N 3.23Å; L295-A298 VanDerWaalsContact O-N 3.1Å; L295-G299 PolarHBondContact O-N 2.98Å; L295-A300 HydrophobicContact CB-CB 4.22Å; L295-A300 WeakPolarHBondContact O-CB 3.35Å; L295-A300 PolarHBondContact O-N 2.94Å; L295-I356 HydrophobicContact CD1-CD1 3.44Å; L295-I356 VanDerWaalsContact CD1-CD1 3.44Å
296	V	98	Very high	96.6	Very high	42 Å²	42	32 Å²	32	26%	0.255	16%	0.162	S	C	.	.	H	α-helix	trans	-61.3	-43.4	175.4	172.5	0	0	0	0	111.2	F279 M292 A298 G299 A300 C302 P320	F279-V296 HydrophobicContact CE1-CG2 4.06Å; F279-V296 HydrophobicContact CZ-CG2 3.89Å; M292-V296 HydrophobicContact CG-CG2 4.36Å; M292-V296 WeakPolarHBondContact O-CB 3.38Å; M292-V296 WeakPolarHBondContact O-CG2 3.49Å; M292-V296 PolarHBondContact O-N 3.34Å; V296-A298 PolarHBondContact O-N 3.36Å; V296-G299 PolarHBondContact O-N 3.46Å; V296-A300 WeakPolarHBondContact CA-O 3.35Å; V296-C302 HydrophobicContact CG2-CB 4.21Å; V296-P320 HydrophobicContact CB-CG 4.26Å; V296-P320 HydrophobicContact CG1-CG 4.32Å; V296-P320 HydrophobicContact CG2-CG 4.41Å
297	R	96.9	Very high	97	Very high	177 Å²	177	29.5 Å²	29.5	67%	0.668	15%	0.147	S	C	*	.	H	α-helix	trans	-60.2	-31.6	175.5	-175.8	-179.3	-65.6	-172.7	-5	112.9	R293 Y294 L295 G299	R293-R297 VanDerWaalsContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CB 3.38Å; R293-R297 PolarHBondContact O-N 3.09Å; R293-R297 VanDerWaalsContact O-N 3.13Å; Y294-R297 PolarHBondContact O-N 3.24Å; L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.49Å; R297-G299 PolarHBondContact O-N 2.95Å
298	A	96.7	Very high	96.9	Very high	33 Å²	33	35.9 Å²	35.9	27%	0.273	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.3	176.3	0	0	0	0	0	113.7	Y252 L274 Y294 L295 V296	Y252-A298 HydrophobicContact CD2-CB 4.4Å; Y252-A298 HydrophobicContact CE2-CB 3.63Å; L274-A298 HydrophobicContact CB-CB 4.33Å; L274-A298 HydrophobicContact CD1-CB 3.86Å; Y294-A298 PolarHBondContact O-N 2.91Å; L295-A298 PolarHBondContact O-N 3.23Å; L295-A298 VanDerWaalsContact O-N 3.1Å; V296-A298 PolarHBondContact O-N 3.36Å
299	G	97	Very high	96.7	Very high	33 Å²	33	40 Å²	40	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	7.7	177.6	0	0	0	0	0	115.2	D276 L295 V296 R297	D276-G299 PolarHBondContact N-O 2.83Å; L295-G299 PolarHBondContact O-N 2.98Å; V296-G299 PolarHBondContact O-N 3.46Å; R297-G299 PolarHBondContact O-N 2.95Å
300	A	98	Very high	96.6	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	21%	0.206	C	C	.	.			trans	-79.3	157.7	169.4	0	0	0	0	0	110.6	L274 K277 F279 L295 V296	L274-A300 WeakPolarHBondContact O-CA 3.24Å; L274-A300 WeakPolarHBondContact O-CB 3.34Å; K277-A300 CarbonylContact O-C 3.37Å; K277-A300 VanDerWaalsContact O-CA 3.31Å; K277-A300 WeakPolarHBondContact O-CA 3.08Å; K277-A300 WeakPolarHBondContact O-CB 3.21Å; F279-A300 HydrophobicContact CD1-CB 3.81Å; F279-A300 HydrophobicContact CE1-CB 3.89Å; L295-A300 HydrophobicContact CB-CB 4.22Å; L295-A300 WeakPolarHBondContact O-CB 3.35Å; L295-A300 PolarHBondContact O-N 2.94Å; V296-A300 WeakPolarHBondContact CA-O 3.35Å
301	K	98.3	Very high	96.6	Very high	83 Å²	83	41.8 Å²	41.8	36%	0.361	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.2	-176.8	-175.5	-177.9	-70.5	-155.9	0	110.9	K277 T278 F279 I303 P315 D316	K277-K301 PolarHBondContact O-N 3.41Å; T278-K301 CarbonylContact C-O 3.49Å; T278-K301 WeakPolarHBondContact CA-O 3.39Å; F279-K301 VanDerWaalsContact CD1-C 3.48Å; F279-K301 VanDerWaalsContact CD1-O 3.29Å; F279-K301 WeakPolarHBondContact CD1-O 3.47Å; F279-K301 VanDerWaalsContact CE1-C 3.47Å; F279-K301 PolarHBondContact N-O 3.06Å; K301-I303 HydrophobicContact CD-CG2 4.02Å; K301-I303 HydrophobicContact CG-CG2 3.98Å; K301-I303 PolarHBondContact O-N 3.4Å; K301-P315 WeakPolarHBondContact CD-O 3.42Å; K301-D316 VanDerWaalsContact CD-O 3.31Å; K301-D316 WeakPolarHBondContact CD-O 3.3Å; K301-D316 WeakPolarHBondContact CE-O 3.15Å; K301-D316 PolarHBondContact NZ-O 2.97Å
302	C	98.5	Very high	96.5	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	113.2	171.6	-174.1	0	0	0	0	109.2	F279 M292 V296 I305 G317 I318	F279-C302 HydrophobicContact CD2-CB 4.41Å; F279-C302 HydrophobicContact CE1-CB 3.86Å; F279-C302 VanDerWaalsContact CE1-N 3.28Å; F279-C302 HydrophobicContact CE2-CB 3.71Å; F279-C302 HydrophobicContact CZ-CB 3.41Å; F279-C302 VanDerWaalsContact CZ-CB 3.41Å; F279-C302 WeakPolarHBondContact O-CA 3.07Å; M292-C302 HydrophobicContact CE-CB 3.7Å; M292-C302 HydrophobicContact CG-CB 3.95Å; M292-C302 HydrophobicContact SD-CB 4.44Å; V296-C302 HydrophobicContact CG2-CB 4.21Å; C302-I305 WeakPolarHBondContact SG-CD1 3.43Å; C302-G317 CarbonylContact O-C 3.57Å; C302-G317 WeakPolarHBondContact O-CA 3.4Å; C302-I318 HydrophobicContact CB-CB 4.42Å; C302-I318 PolarHBondContact O-N 3.33Å
303	I	98.3	Very high	96.5	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-11.5	-179.3	64.5	169.7	0	0	0	113.3	T278 F279 I280 K301 Y313 N314 E351 C352	T278-I303 HydrophobicContact CG2-CG2 3.92Å; F279-I303 PolarHBondContact O-N 3.36Å; I280-I303 HydrophobicContact CD1-CD1 4.3Å; I280-I303 HydrophobicContact CD1-CG1 4.23Å; I280-I303 HydrophobicContact CG1-CD1 4.24Å; I280-I303 HydrophobicContact CG1-CG1 3.71Å; K301-I303 HydrophobicContact CD-CG2 4.02Å; K301-I303 HydrophobicContact CG-CG2 3.98Å; K301-I303 PolarHBondContact O-N 3.4Å; I303-Y313 HydrophobicContact CB-CE2 4.25Å; I303-Y313 HydrophobicContact CD1-CE2 3.99Å; I303-Y313 HydrophobicContact CG1-CE2 4.21Å; I303-Y313 WeakPolarHBondContact O-CA 3.35Å; I303-Y313 WeakPolarHBondContact O-CD2 3.48Å; I303-N314 VanDerWaalsContact CA-O 3.26Å; I303-N314 WeakPolarHBondContact CA-O 3.32Å; I303-N314 PolarHBondContact O-N 3.23Å; I303-E351 WeakPolarHBondContact CD1-O 3.35Å; I303-C352 HydrophobicContact CD1-CB 3.92Å
304	G	97.9	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	146.1	178.9	0	0	0	0	0	114.4	I280 V281 I312	I280-G304 WeakPolarHBondContact CA-O 3.27Å; V281-G304 PolarHBondContact N-O 2.85Å; G304-I312 WeakPolarHBondContact CA-O 3.41Å
305	I	97.9	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.7	174.2	-56.8	-66.4	0	0	0	108.8	V281 F284 M292 C302 Q311 I312 I318 L323 I333 L347	V281-I305 HydrophobicContact CB-CD1 3.72Å; V281-I305 HydrophobicContact CG2-CD1 4.04Å; V281-I305 WeakPolarHBondContact O-CA 3.31Å; F284-I305 HydrophobicContact CB-CG2 3.89Å; F284-I305 HydrophobicContact CD2-CD1 4.33Å; F284-I305 HydrophobicContact CD2-CG2 4.05Å; F284-I305 HydrophobicContact CG-CG2 4.17Å; M292-I305 HydrophobicContact SD-CD1 3.82Å; M292-I305 HydrophobicContact SD-CG1 4.37Å; C302-I305 WeakPolarHBondContact SG-CD1 3.43Å; I305-Q311 WeakPolarHBondContact O-CA 3.47Å; I305-I312 HydrophobicContact CB-CD1 4.31Å; I305-I312 HydrophobicContact CB-CG1 3.96Å; I305-I312 PolarHBondContact N-O 3.05Å; I305-I312 PolarHBondContact O-N 2.94Å; I305-I318 HydrophobicContact CG1-CD1 4.36Å; I305-L323 HydrophobicContact CB-CD2 4.39Å; I305-L323 HydrophobicContact CG1-CD2 3.77Å; I305-I333 HydrophobicContact CB-CD1 4.17Å; I305-I333 HydrophobicContact CG2-CD1 3.66Å; I305-L347 VanDerWaalsContact C-CD2 3.44Å; I305-L347 WeakPolarHBondContact O-CD2 3.43Å
306	A	96.5	Very high	96.4	Very high	7 Å²	7	50.1 Å²	50.1	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.6	174.8	0	0	0	0	0	110.5	V281 Q282 G283 Q311 L347 L348	V281-A306 PolarHBondContact O-N 2.92Å; Q282-A306 CarbonylContact C-O 3.16Å; Q282-A306 HydrophobicContact CB-CB 4.49Å; Q282-A306 HydrophobicContact CG-CB 4.31Å; G283-A306 PolarHBondContact N-O 3.27Å; A306-Q311 HydrophobicContact CB-CG 3.8Å; A306-L347 HydrophobicContact CB-CB 4.42Å; A306-L347 HydrophobicContact CB-CD2 4.02Å; A306-L348 HydrophobicContact CB-CD1 4.47Å
307	E	94.1	Very high	96.4	Very high	58 Å²	58	49.1 Å²	49.1	27%	0.271	26%	0.264	S	S	.	.			trans	-119	175.9	171.9	-90.3	-71.5	-176.4	0	0	110.9	F284 D309 G310 I333	F284-E307 VanDerWaalsContact CA-OE1 3.27Å; F284-E307 WeakPolarHBondContact CA-OE1 3.38Å; F284-E307 HydrophobicContact CB-CG 3.88Å; F284-E307 VanDerWaalsContact CB-OE1 3.31Å; F284-E307 WeakPolarHBondContact CB-OE1 3.36Å; F284-E307 PolarHBondContact N-OE1 3.33Å; E307-D309 WeakPolarHBondContact CB-OD1 3.48Å; E307-D309 PolarHBondContact O-N 3.39Å; E307-G310 PolarHBondContact N-O 2.94Å; E307-I333 HydrophobicContact CB-CD1 3.69Å; E307-I333 HydrophobicContact CB-CG1 4.07Å; E307-I333 HydrophobicContact CG-CD1 3.75Å; E307-I333 HydrophobicContact CG-CG1 4.21Å; E307-I333 HydrophobicContact CG-CG2 4.49Å
308	I	89.1	Confident	96.4	Very high	165 Å²	165	40.9 Å²	40.9	85%	0.846	23%	0.234	S	C	*	.	S	Bend	trans	-62.3	-31.1	-179.6	-163.9	165.7	0	0	0	113.4
309	D	90.2	Very high	96.5	Very high	88 Å²	88	42.5 Å²	42.5	47%	0.471	24%	0.238	S	C	.	.	S	Bend	trans	-99.6	-11.9	-174.1	60.4	-15.2	0	0	0	113.6	E307 T332	E307-D309 WeakPolarHBondContact CB-OD1 3.48Å; E307-D309 PolarHBondContact O-N 3.39Å; D309-T332 WeakPolarHBondContact OD2-CB 3.46Å; D309-T332 PolarHBondContact OD2-OG1 3.06Å
310	G	93.3	Very high	96.5	Very high	21 Å²	21	41.4 Å²	41.4	22%	0.216	23%	0.225	C	C	.	.			trans	173.9	174.5	175.3	0	0	0	0	0	114.7	E307	E307-G310 PolarHBondContact N-O 2.94Å
311	Q	96.8	Very high	96.4	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.229	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133	-175.8	-59.5	175.4	78.9	0	0	108.8	I305 A306 Y342 L347	I305-Q311 WeakPolarHBondContact O-CA 3.47Å; A306-Q311 HydrophobicContact CB-CG 3.8Å; Q311-Y342 PolarHBondContact O-N 3.27Å; Q311-L347 HydrophobicContact CB-CB 4.38Å; Q311-L347 HydrophobicContact CB-CD2 4.39Å; Q311-L347 HydrophobicContact CG-CB 4.49Å
312	I	97.7	Very high	96.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145	178.8	63.5	172.8	0	0	0	110.5	G304 I305 I318 L323 I333 F336 A339 K340	G304-I312 WeakPolarHBondContact CA-O 3.41Å; I305-I312 HydrophobicContact CB-CD1 4.31Å; I305-I312 HydrophobicContact CB-CG1 3.96Å; I305-I312 PolarHBondContact N-O 3.05Å; I305-I312 PolarHBondContact O-N 2.94Å; I312-I318 HydrophobicContact CD1-CD1 4.19Å; I312-I318 HydrophobicContact CG1-CD1 4.16Å; I312-L323 HydrophobicContact CD1-CD1 3.64Å; I312-L323 HydrophobicContact CD1-CD2 4.02Å; I312-I333 HydrophobicContact CD1-CB 4.24Å; I312-I333 HydrophobicContact CD1-CD1 4.41Å; I312-I333 HydrophobicContact CG1-CD1 4.19Å; I312-F336 HydrophobicContact CD1-CB 4.36Å; I312-F336 HydrophobicContact CD1-CD1 4.27Å; I312-A339 HydrophobicContact CB-CB 3.89Å; I312-A339 HydrophobicContact CD1-CB 4.15Å; I312-A339 HydrophobicContact CG1-CB 4.35Å; I312-K340 WeakPolarHBondContact CA-O 3.5Å
313	Y	98.2	Very high	96.3	Very high	53 Å²	53	49.8 Å²	49.8	21%	0.208	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.5	-176.7	-179.3	-106.1	0	0	0	111.3	I303 P315 K340 Y342 L347 E350	I303-Y313 HydrophobicContact CB-CE2 4.25Å; I303-Y313 HydrophobicContact CD1-CE2 3.99Å; I303-Y313 HydrophobicContact CG1-CE2 4.21Å; I303-Y313 WeakPolarHBondContact O-CA 3.35Å; I303-Y313 WeakPolarHBondContact O-CD2 3.48Å; Y313-P315 HydrophobicContact CE1-CB 4.31Å; Y313-P315 HydrophobicContact CE1-CG 4.23Å; Y313-K340 PolarHBondContact N-O 3.1Å; Y313-K340 PolarHBondContact O-N 3.1Å; Y313-Y342 HydrophobicContact CD1-CD2 4.38Å; Y313-Y342 HydrophobicContact CD2-CD2 4.35Å; Y313-Y342 AromaticContact CG-CD2 3.89Å; Y313-Y342 HydrophobicContact CG-CD2 3.89Å; Y313-Y342 HydrophobicContact CG-CE2 4.41Å; Y313-L347 HydrophobicContact CD2-CD1 3.81Å; Y313-L347 HydrophobicContact CG-CD1 4.37Å; Y313-E350 HydrophobicContact CD2-CG 4.29Å; Y313-E350 HydrophobicContact CE2-CG 3.65Å
314	N	97.9	Very high	96.3	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.16	27%	0.266	C	S	.	.			trans	-146.9	109.7	169.6	-174.8	-7.7	0	0	0	110	I303 D316 G317 I318 H338 A339	I303-N314 VanDerWaalsContact CA-O 3.26Å; I303-N314 WeakPolarHBondContact CA-O 3.32Å; I303-N314 PolarHBondContact O-N 3.23Å; N314-D316 PolarHBondContact O-N 2.77Å; N314-D316 WeakPolarHBondContact OD1-CB 3.2Å; N314-D316 PolarHBondContact OD1-N 2.83Å; N314-G317 PolarHBondContact ND2-O 2.64Å; N314-G317 VanDerWaalsContact ND2-O 3.11Å; N314-G317 PolarHBondContact O-N 2.68Å; N314-G317 VanDerWaalsContact O-N 3.14Å; N314-I318 HydrophobicContact CB-CD1 4.47Å; N314-I318 HydrophobicContact CB-CG1 3.83Å; N314-H338 PolarHBondContact ND2-O 3.44Å; N314-A339 HydrophobicContact CB-CB 4.19Å
315	P	96.3	Very high	96.3	Very high	70 Å²	70	56 Å²	56	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.9	178.9	28.6	-34.7	0	0	0	113.3	K301 Y313 G317	K301-P315 WeakPolarHBondContact CD-O 3.42Å; Y313-P315 HydrophobicContact CE1-CB 4.31Å; Y313-P315 HydrophobicContact CE1-CG 4.23Å; P315-G317 VanDerWaalsContact C-N 3.31Å
316	D	96.5	Very high	96.2	Very high	127 Å²	127	59.2 Å²	59.2	68%	0.679	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.6	178.1	-63.5	-42.3	0	0	0	112.5	K301 N314	K301-D316 VanDerWaalsContact CD-O 3.31Å; K301-D316 WeakPolarHBondContact CD-O 3.3Å; K301-D316 WeakPolarHBondContact CE-O 3.15Å; K301-D316 PolarHBondContact NZ-O 2.97Å; N314-D316 PolarHBondContact O-N 2.77Å; N314-D316 WeakPolarHBondContact OD1-CB 3.2Å; N314-D316 PolarHBondContact OD1-N 2.83Å
317	G	97.3	Very high	96.2	Very high	21 Å²	21	61.3 Å²	61.3	22%	0.216	31%	0.309	C	S	.	.			trans	121.3	150.9	177	0	0	0	0	0	112.7	C302 N314 P315	C302-G317 CarbonylContact O-C 3.57Å; C302-G317 WeakPolarHBondContact O-CA 3.4Å; N314-G317 PolarHBondContact ND2-O 2.64Å; N314-G317 VanDerWaalsContact ND2-O 3.11Å; N314-G317 PolarHBondContact O-N 2.68Å; N314-G317 VanDerWaalsContact O-N 3.14Å; P315-G317 VanDerWaalsContact C-N 3.31Å
318	I	98.2	Very high	96.2	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	33%	0.327	C	S	.	.			trans	-114	124.2	175.4	-56.4	175.7	0	0	0	107.9	M292 C302 I305 I312 N314 L323 F336 A339	M292-I318 HydrophobicContact CE-CB 3.87Å; M292-I318 HydrophobicContact CE-CG2 3.67Å; M292-I318 WeakPolarHBondContact CE-O 3.48Å; C302-I318 HydrophobicContact CB-CB 4.42Å; C302-I318 PolarHBondContact O-N 3.33Å; I305-I318 HydrophobicContact CG1-CD1 4.36Å; I312-I318 HydrophobicContact CD1-CD1 4.19Å; I312-I318 HydrophobicContact CG1-CD1 4.16Å; N314-I318 HydrophobicContact CB-CD1 4.47Å; N314-I318 HydrophobicContact CB-CG1 3.83Å; I318-L323 HydrophobicContact CG2-CB 4.22Å; I318-L323 HydrophobicContact CG2-CD2 3.97Å; I318-F336 HydrophobicContact CG2-CE1 3.99Å; I318-A339 HydrophobicContact CD1-CB 4.33Å
319	D	97.6	Very high	96.6	Very high	66 Å²	66	60.5 Å²	60.5	35%	0.353	32%	0.318	S	S	.	.			trans	-76	126.8	175	-176.4	-87.5	0	0	0	110.4	R321 E322 L323	D319-R321 VanDerWaalsContact C-N 3.3Å; D319-R321 PolarHBondContact O-N 3.02Å; D319-R321 WeakPolarHBondContact OD1-CA 3.45Å; D319-R321 VanDerWaalsContact OD1-CB 3.31Å; D319-R321 WeakPolarHBondContact OD1-CB 3.46Å; D319-R321 PolarHBondContact OD1-N 3.42Å; D319-E322 HydrophobicContact CB-CB 4.16Å; D319-E322 HydrophobicContact CB-CG 4.05Å; D319-E322 PolarHBondContact OD1-N 3.16Å; D319-L323 WeakPolarHBondContact O-CB 3.41Å; D319-L323 PolarHBondContact O-N 2.86Å; D319-L323 VanDerWaalsContact O-N 3.14Å
320	P	96.9	Very high	96.9	Very high	11 Å²	11	60.3 Å²	60.3	7%	0.071	32%	0.317	C	S	.	.	H	α-helix	trans	-69.4	-27.4	-175.5	26.3	-34.2	0	0	0	113.3	M292 R293 V296 E324	M292-P320 VanDerWaalsContact CE-CA 3.45Å; M292-P320 HydrophobicContact CE-CB 3.77Å; M292-P320 HydrophobicContact CG-CB 4Å; M292-P320 HydrophobicContact SD-CB 3.78Å; R293-P320 HydrophobicContact CG-CB 3.61Å; R293-P320 HydrophobicContact CG-CG 4.02Å; V296-P320 HydrophobicContact CB-CG 4.26Å; V296-P320 HydrophobicContact CG1-CG 4.32Å; V296-P320 HydrophobicContact CG2-CG 4.41Å; P320-E324 VanDerWaalsContact O-CB 3.22Å; P320-E324 WeakPolarHBondContact O-CB 3.48Å; P320-E324 PolarHBondContact O-N 3.48Å
321	R	96.8	Very high	96.9	Very high	176 Å²	176	61.9 Å²	61.9	66%	0.664	33%	0.334	S	S	*	.	H	α-helix	trans	-79.6	-44.3	-179.1	-174.4	161.4	-171.9	174.3	-0.1	110.9	D319 L323 E324 D325	D319-R321 VanDerWaalsContact C-N 3.3Å; D319-R321 PolarHBondContact O-N 3.02Å; D319-R321 WeakPolarHBondContact OD1-CA 3.45Å; D319-R321 VanDerWaalsContact OD1-CB 3.31Å; D319-R321 WeakPolarHBondContact OD1-CB 3.46Å; D319-R321 PolarHBondContact OD1-N 3.42Å; R321-L323 VanDerWaalsContact C-N 3.28Å; R321-L323 PolarHBondContact O-N 3.13Å; R321-E324 PolarHBondContact O-N 3.4Å; R321-D325 WeakPolarHBondContact O-CB 3.12Å; R321-D325 VanDerWaalsContact O-CG 3.29Å; R321-D325 PolarHBondContact O-N 3.2Å
322	E	97.9	Very high	96.9	Very high	89 Å²	89	61 Å²	61	42%	0.416	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-41.2	174.4	-66	179.4	-170	0	0	111.5	D319 W326 F336 H338	D319-E322 HydrophobicContact CB-CB 4.16Å; D319-E322 HydrophobicContact CB-CG 4.05Å; D319-E322 PolarHBondContact OD1-N 3.16Å; E322-W326 WeakPolarHBondContact O-CB 3.33Å; E322-W326 PolarHBondContact O-N 3.36Å; E322-F336 HydrophobicContact CB-CE2 3.99Å; E322-F336 HydrophobicContact CB-CZ 3.79Å; E322-H338 IonicContact OE2-CD2 3.04Å; E322-H338 IonicContact OE2-CG 3.82Å; E322-H338 IonicContact OE2-NE2 3.31Å
323	L	97.8	Very high	96.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-38.6	176.8	-174.2	64.4	0	0	0	112.6	F284 M292 I305 I312 I318 D319 R321 W326 Q327 I333 F336	F284-L323 HydrophobicContact CD1-CD2 4.45Å; F284-L323 HydrophobicContact CD2-CD2 4.13Å; F284-L323 HydrophobicContact CE1-CB 4.5Å; F284-L323 HydrophobicContact CE1-CD2 3.99Å; F284-L323 HydrophobicContact CE1-CG 3.78Å; F284-L323 HydrophobicContact CE2-CD2 3.65Å; F284-L323 HydrophobicContact CE2-CG 4.25Å; F284-L323 HydrophobicContact CZ-CB 4.04Å; F284-L323 HydrophobicContact CZ-CD2 3.56Å; F284-L323 HydrophobicContact CZ-CG 3.62Å; M292-L323 HydrophobicContact CE-CD2 4.48Å; M292-L323 HydrophobicContact SD-CD2 4.46Å; I305-L323 HydrophobicContact CB-CD2 4.39Å; I305-L323 HydrophobicContact CG1-CD2 3.77Å; I312-L323 HydrophobicContact CD1-CD1 3.64Å; I312-L323 HydrophobicContact CD1-CD2 4.02Å; I318-L323 HydrophobicContact CG2-CB 4.22Å; I318-L323 HydrophobicContact CG2-CD2 3.97Å; D319-L323 WeakPolarHBondContact O-CB 3.41Å; D319-L323 PolarHBondContact O-N 2.86Å; D319-L323 VanDerWaalsContact O-N 3.14Å; R321-L323 VanDerWaalsContact C-N 3.28Å; R321-L323 PolarHBondContact O-N 3.13Å; L323-W326 PolarHBondContact O-N 3.39Å; L323-Q327 WeakPolarHBondContact O-CB 3.2Å; L323-Q327 PolarHBondContact O-N 3.08Å; L323-I333 HydrophobicContact CD1-CB 4.07Å; L323-I333 HydrophobicContact CD1-CG2 4Å; L323-I333 HydrophobicContact CD2-CG2 4.4Å; L323-I333 HydrophobicContact CG-CG2 4.31Å; L323-F336 HydrophobicContact CB-CZ 4.48Å; L323-F336 HydrophobicContact CD1-CB 3.99Å; L323-F336 HydrophobicContact CD1-CD1 3.93Å; L323-F336 HydrophobicContact CD1-CD2 4.05Å; L323-F336 HydrophobicContact CD1-CE1 4.43Å; L323-F336 HydrophobicContact CD1-CG 3.72Å
324	E	96.8	Very high	96.7	Very high	48 Å²	48	61.2 Å²	61.2	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-47.5	174.2	-177.4	175.3	-163.5	0	0	110.9	L289 P320 R321 W326 Q327 I328	L289-E324 HydrophobicContact CD1-CB 3.92Å; L289-E324 HydrophobicContact CD1-CG 4.11Å; L289-E324 HydrophobicContact CD2-CG 4.11Å; L289-E324 WeakPolarHBondContact CD2-OE1 3.45Å; P320-E324 VanDerWaalsContact O-CB 3.22Å; P320-E324 WeakPolarHBondContact O-CB 3.48Å; P320-E324 PolarHBondContact O-N 3.48Å; R321-E324 PolarHBondContact O-N 3.4Å; E324-W326 VanDerWaalsContact C-N 3.32Å; E324-W326 PolarHBondContact O-N 3.44Å; E324-Q327 PolarHBondContact O-N 3.25Å; E324-I328 HydrophobicContact CG-CD1 3.94Å; E324-I328 VanDerWaalsContact O-CG1 3.26Å; E324-I328 WeakPolarHBondContact O-CG1 3.45Å; E324-I328 PolarHBondContact O-N 3.35Å
325	D	97.5	Very high	96.5	Very high	88 Å²	88	62.1 Å²	62.1	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-40.1	178	-69.1	-23.6	0	0	0	111.1	R321 I328 A329	R321-D325 WeakPolarHBondContact O-CB 3.12Å; R321-D325 VanDerWaalsContact O-CG 3.29Å; R321-D325 PolarHBondContact O-N 3.2Å; D325-I328 PolarHBondContact O-N 2.93Å; D325-A329 WeakPolarHBondContact O-CB 3.17Å; D325-A329 PolarHBondContact O-N 2.54Å
326	W	97.8	Very high	96.6	Very high	68 Å²	68	59 Å²	59	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-47.3	173.7	178.5	-88.6	0	0	0	112.8	E322 L323 E324 I328 A329 N330 T332 V334 G335 F336 P337	E322-W326 WeakPolarHBondContact O-CB 3.33Å; E322-W326 PolarHBondContact O-N 3.36Å; L323-W326 PolarHBondContact O-N 3.39Å; E324-W326 VanDerWaalsContact C-N 3.32Å; E324-W326 PolarHBondContact O-N 3.44Å; W326-I328 VanDerWaalsContact C-N 3.3Å; W326-I328 PolarHBondContact O-N 3.09Å; W326-A329 PolarHBondContact O-N 3.03Å; W326-N330 VanDerWaalsContact CE2-ND2 3.31Å; W326-N330 WeakPolarHBondContact O-CB 3.49Å; W326-N330 PolarHBondContact O-N 3.06Å; W326-N330 PolarHBondContact O-ND2 2.76Å; W326-T332 PolarHBondContact NE1-O 3.44Å; W326-T332 VanDerWaalsContact NE1-O 3.11Å; W326-V334 PolarHBondContact NE1-O 3.03Å; W326-G335 WeakPolarHBondContact CH2-O 3.45Å; W326-G335 WeakPolarHBondContact CZ2-O 3.48Å; W326-F336 HydrophobicContact CB-CD2 3.7Å; W326-F336 HydrophobicContact CB-CE2 4.19Å; W326-F336 HydrophobicContact CD2-CB 4.45Å; W326-F336 HydrophobicContact CD2-CD2 4.05Å; W326-F336 HydrophobicContact CE3-CD2 4.42Å; W326-F336 HydrophobicContact CG-CB 4.28Å; W326-F336 AromaticContact CG-CD2 3.72Å; W326-F336 HydrophobicContact CG-CD2 3.72Å; W326-F336 HydrophobicContact CG-CG 4.47Å; W326-P337 HydrophobicContact CE3-CG 4.39Å; W326-P337 HydrophobicContact CZ3-CG 4.19Å
327	Q	95.7	Very high	96.6	Very high	51 Å²	51	57.3 Å²	57.3	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-40	178.3	177	68	32.7	0	0	111.2	F284 L323 E324 G331 T332	F284-Q327 HydrophobicContact CD1-CB 4.36Å; F284-Q327 HydrophobicContact CD1-CG 4.23Å; F284-Q327 HydrophobicContact CE1-CB 4.1Å; F284-Q327 HydrophobicContact CE1-CG 4.4Å; L323-Q327 WeakPolarHBondContact O-CB 3.2Å; L323-Q327 PolarHBondContact O-N 3.08Å; E324-Q327 PolarHBondContact O-N 3.25Å; Q327-G331 PolarHBondContact NE2-O 3.46Å; Q327-G331 WeakPolarHBondContact O-CA 3.28Å; Q327-G331 PolarHBondContact O-N 3.36Å; Q327-T332 PolarHBondContact OE1-O 3.11Å
328	I	94.6	Very high	96.5	Very high	126 Å²	126	61.5 Å²	61.5	65%	0.646	34%	0.343	S	S	*	.	H	α-helix	trans	-66	-42.1	177.3	-69.8	165.9	0	0	0	110.7	E324 D325 W326	E324-I328 HydrophobicContact CG-CD1 3.94Å; E324-I328 VanDerWaalsContact O-CG1 3.26Å; E324-I328 WeakPolarHBondContact O-CG1 3.45Å; E324-I328 PolarHBondContact O-N 3.35Å; D325-I328 PolarHBondContact O-N 2.93Å; W326-I328 VanDerWaalsContact C-N 3.3Å; W326-I328 PolarHBondContact O-N 3.09Å
329	A	96.8	Very high	96.5	Very high	79 Å²	79	61.9 Å²	61.9	65%	0.653	35%	0.348	S	S	*	.	H	α-helix	trans	-73.6	-38.3	-178	0	0	0	0	0	113.5	D325 W326	D325-A329 WeakPolarHBondContact O-CB 3.17Å; D325-A329 PolarHBondContact O-N 2.54Å; W326-A329 PolarHBondContact O-N 3.03Å
330	N	96.4	Very high	96.4	Very high	84 Å²	84	66.5 Å²	66.5	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-108.7	-13.4	-171	-60.7	-80.4	0	0	0	114	W326 T332	W326-N330 VanDerWaalsContact CE2-ND2 3.31Å; W326-N330 WeakPolarHBondContact O-CB 3.49Å; W326-N330 PolarHBondContact O-N 3.06Å; W326-N330 PolarHBondContact O-ND2 2.76Å; N330-T332 HydrophobicContact CB-CG2 4.5Å; N330-T332 PolarHBondContact O-N 3.43Å
331	G	93.9	Very high	96.4	Very high	55 Å²	55	70.3 Å²	70.3	57%	0.567	39%	0.389	S	S	*	.	S	Bend	trans	75.5	2.3	-176.4	0	0	0	0	0	115.1	Q327	Q327-G331 PolarHBondContact NE2-O 3.46Å; Q327-G331 WeakPolarHBondContact O-CA 3.28Å; Q327-G331 PolarHBondContact O-N 3.36Å
332	T	95.6	Very high	96.2	Very high	29 Å²	29	63.3 Å²	63.3	18%	0.178	36%	0.363	C	S	.	.	S	Bend	trans	-150.4	154.2	-179.2	177.6	0	0	0	0	111.3	D309 W326 Q327 N330 V334	D309-T332 WeakPolarHBondContact OD2-CB 3.46Å; D309-T332 PolarHBondContact OD2-OG1 3.06Å; W326-T332 PolarHBondContact NE1-O 3.44Å; W326-T332 VanDerWaalsContact NE1-O 3.11Å; Q327-T332 PolarHBondContact OE1-O 3.11Å; N330-T332 HydrophobicContact CB-CG2 4.5Å; N330-T332 PolarHBondContact O-N 3.43Å; T332-V334 VanDerWaalsContact C-N 3.29Å; T332-V334 HydrophobicContact CG2-CB 4.29Å; T332-V334 WeakPolarHBondContact OG1-CB 3.28Å; T332-V334 WeakPolarHBondContact OG1-CG2 3.43Å; T332-V334 PolarHBondContact OG1-N 2.97Å
333	I	95.9	Very high	95.8	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.381	C	S	.	.	S	Bend	trans	-80	-16.8	171.7	64.2	172.3	0	0	0	111.7	F284 I305 E307 I312 L323 G335 F336	F284-I333 HydrophobicContact CB-CG2 4.32Å; F284-I333 HydrophobicContact CD1-CG2 3.74Å; F284-I333 HydrophobicContact CE1-CG2 4.36Å; F284-I333 HydrophobicContact CG-CG2 4.18Å; I305-I333 HydrophobicContact CB-CD1 4.17Å; I305-I333 HydrophobicContact CG2-CD1 3.66Å; E307-I333 HydrophobicContact CB-CD1 3.69Å; E307-I333 HydrophobicContact CB-CG1 4.07Å; E307-I333 HydrophobicContact CG-CD1 3.75Å; E307-I333 HydrophobicContact CG-CG1 4.21Å; E307-I333 HydrophobicContact CG-CG2 4.49Å; I312-I333 HydrophobicContact CD1-CB 4.24Å; I312-I333 HydrophobicContact CD1-CD1 4.41Å; I312-I333 HydrophobicContact CG1-CD1 4.19Å; L323-I333 HydrophobicContact CD1-CB 4.07Å; L323-I333 HydrophobicContact CD1-CG2 4Å; L323-I333 HydrophobicContact CD2-CG2 4.4Å; L323-I333 HydrophobicContact CG-CG2 4.31Å; I333-G335 PolarHBondContact O-N 3.01Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 PolarHBondContact O-N 3.45Å
334	V	95.5	Very high	95.3	Very high	63 Å²	63	71.6 Å²	71.6	38%	0.382	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	135.1	-178.2	179.3	0	0	0	0	109.4	W326 T332	W326-V334 PolarHBondContact NE1-O 3.03Å; T332-V334 VanDerWaalsContact C-N 3.29Å; T332-V334 HydrophobicContact CG2-CB 4.29Å; T332-V334 WeakPolarHBondContact OG1-CB 3.28Å; T332-V334 WeakPolarHBondContact OG1-CG2 3.43Å; T332-V334 PolarHBondContact OG1-N 2.97Å
335	G	95.2	Very high	94.8	Very high	48 Å²	48	75.2 Å²	75.2	50%	0.495	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	3.7	-178.4	0	0	0	0	0	115	W326 I333 P337	W326-G335 WeakPolarHBondContact CH2-O 3.45Å; W326-G335 WeakPolarHBondContact CZ2-O 3.48Å; I333-G335 PolarHBondContact O-N 3.01Å; G335-P337 WeakPolarHBondContact O-CD 3.2Å
336	F	97.3	Very high	94.6	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.026	42%	0.416	C	S	.	.			trans	-54.5	120.4	175.9	179.2	-119.3	0	0	0	111.4	I312 I318 E322 L323 W326 I333 H338 A339	I312-F336 HydrophobicContact CD1-CB 4.36Å; I312-F336 HydrophobicContact CD1-CD1 4.27Å; I318-F336 HydrophobicContact CG2-CE1 3.99Å; E322-F336 HydrophobicContact CB-CE2 3.99Å; E322-F336 HydrophobicContact CB-CZ 3.79Å; L323-F336 HydrophobicContact CB-CZ 4.48Å; L323-F336 HydrophobicContact CD1-CB 3.99Å; L323-F336 HydrophobicContact CD1-CD1 3.93Å; L323-F336 HydrophobicContact CD1-CD2 4.05Å; L323-F336 HydrophobicContact CD1-CE1 4.43Å; L323-F336 HydrophobicContact CD1-CG 3.72Å; W326-F336 HydrophobicContact CB-CD2 3.7Å; W326-F336 HydrophobicContact CB-CE2 4.19Å; W326-F336 HydrophobicContact CD2-CB 4.45Å; W326-F336 HydrophobicContact CD2-CD2 4.05Å; W326-F336 HydrophobicContact CE3-CD2 4.42Å; W326-F336 HydrophobicContact CG-CB 4.28Å; W326-F336 AromaticContact CG-CD2 3.72Å; W326-F336 HydrophobicContact CG-CD2 3.72Å; W326-F336 HydrophobicContact CG-CG 4.47Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 PolarHBondContact O-N 3.45Å; F336-H338 VanDerWaalsContact C-N 3.27Å; F336-H338 HydrophobicContact CD1-CB 4.3Å; F336-H338 HydrophobicContact CE1-CB 3.57Å; F336-H338 HydrophobicContact CZ-CB 3.77Å; F336-H338 AromaticContact CZ-CD2 3.91Å; F336-H338 PolarHBondContact O-N 2.96Å; F336-A339 HydrophobicContact CD1-CB 3.85Å; F336-A339 PolarHBondContact O-N 3.06Å; F336-A339 VanDerWaalsContact O-N 3.14Å
337	P	96.8	Very high	94.4	Very high	91 Å²	91	69 Å²	69	59%	0.591	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24	-166.3	20.2	-31	0	0	0	114.5	W326 G335 A339	W326-P337 HydrophobicContact CE3-CG 4.39Å; W326-P337 HydrophobicContact CZ3-CG 4.19Å; G335-P337 WeakPolarHBondContact O-CD 3.2Å; P337-A339 VanDerWaalsContact C-N 3.33Å
338	H	96.5	Very high	94.4	Very high	108 Å²	108	67 Å²	67	50%	0.5	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	15.9	179.7	-54.7	-99.8	0	0	0	112.9	N314 E322 F336	N314-H338 PolarHBondContact ND2-O 3.44Å; E322-H338 IonicContact OE2-CD2 3.04Å; E322-H338 IonicContact OE2-CG 3.82Å; E322-H338 IonicContact OE2-NE2 3.31Å; F336-H338 VanDerWaalsContact C-N 3.27Å; F336-H338 HydrophobicContact CD1-CB 4.3Å; F336-H338 HydrophobicContact CE1-CB 3.57Å; F336-H338 HydrophobicContact CZ-CB 3.77Å; F336-H338 AromaticContact CZ-CD2 3.91Å; F336-H338 PolarHBondContact O-N 2.96Å
339	A	97.1	Very high	94.4	Very high	14 Å²	14	62.4 Å²	62.4	12%	0.116	37%	0.37	C	S	.	.	S	Bend	trans	-143	155	170.9	0	0	0	0	0	111.1	I312 N314 I318 F336 P337	I312-A339 HydrophobicContact CB-CB 3.89Å; I312-A339 HydrophobicContact CD1-CB 4.15Å; I312-A339 HydrophobicContact CG1-CB 4.35Å; N314-A339 HydrophobicContact CB-CB 4.19Å; I318-A339 HydrophobicContact CD1-CB 4.33Å; F336-A339 HydrophobicContact CD1-CB 3.85Å; F336-A339 PolarHBondContact O-N 3.06Å; F336-A339 VanDerWaalsContact O-N 3.14Å; P337-A339 VanDerWaalsContact C-N 3.33Å
340	K	96.4	Very high	94.4	Very high	163 Å²	163	59.6 Å²	59.6	71%	0.709	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	144	175.9	-65.9	179.5	-176.8	174.6	0	109.6	I312 Y313 Y342	I312-K340 WeakPolarHBondContact CA-O 3.5Å; Y313-K340 PolarHBondContact N-O 3.1Å; Y313-K340 PolarHBondContact O-N 3.1Å; K340-Y342 PolarHBondContact O-N 2.87Å
341	P	95.8	Very high	94.4	Very high	91 Å²	91	61.9 Å²	61.9	59%	0.591	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	131	165.3	-23	33.2	0	0	0	109.7
342	Y	93.7	Very high	94.6	Very high	29 Å²	29	59.5 Å²	59.5	11%	0.114	33%	0.325	C	S	.	.			trans	-88	115.9	177.6	-173.1	-94.2	0	0	0	109.4	Q311 Y313 K340 K344 L347 E350	Q311-Y342 PolarHBondContact O-N 3.27Å; Y313-Y342 HydrophobicContact CD1-CD2 4.38Å; Y313-Y342 HydrophobicContact CD2-CD2 4.35Å; Y313-Y342 AromaticContact CG-CD2 3.89Å; Y313-Y342 HydrophobicContact CG-CD2 3.89Å; Y313-Y342 HydrophobicContact CG-CE2 4.41Å; K340-Y342 PolarHBondContact O-N 2.87Å; Y342-K344 HydrophobicContact CE1-CB 3.75Å; Y342-K344 HydrophobicContact CE1-CG 4.4Å; Y342-K344 HydrophobicContact CE2-CD 4.26Å; Y342-K344 HydrophobicContact CE2-CG 4.42Å; Y342-L347 HydrophobicContact CD1-CB 4.1Å; Y342-L347 HydrophobicContact CD1-CD1 4.14Å; Y342-L347 HydrophobicContact CD2-CD1 3.64Å; Y342-L347 HydrophobicContact CE1-CB 4.18Å; Y342-L347 HydrophobicContact CE1-CD1 4.31Å; Y342-L347 HydrophobicContact CE2-CD1 3.82Å; Y342-L347 HydrophobicContact CG-CD1 3.78Å; Y342-E350 HydrophobicContact CE2-CB 4.29Å; Y342-E350 HydrophobicContact CE2-CG 4.11Å; Y342-E350 VanDerWaalsContact CE2-OE2 3.32Å; Y342-E350 WeakPolarHBondContact CE2-OE2 3.11Å; Y342-E350 PolarHBondContact OH-OE2 3.07Å
343	T	87.9	Confident	94.7	Very high	131 Å²	131	59.8 Å²	59.8	80%	0.804	33%	0.326	S	S	*	.			trans	-109.9	2	-167.5	55.2	0	0	0	0	114.9
344	K	87.7	Confident	94.9	Very high	131 Å²	131	59.8 Å²	59.8	57%	0.57	33%	0.326	S	S	*	.	S	Bend	trans	-76.6	-160.5	172.1	-51.4	-176.7	-163.8	160.2	0	109.6	Y342 E350	Y342-K344 HydrophobicContact CE1-CB 3.75Å; Y342-K344 HydrophobicContact CE1-CG 4.4Å; Y342-K344 HydrophobicContact CE2-CD 4.26Å; Y342-K344 HydrophobicContact CE2-CG 4.42Å; K344-E350 IonicContact NZ-OE1 3.35Å; K344-E350 IonicContact NZ-OE2 2.91Å; K344-E350 PolarHBondContact NZ-OE2 3.29Å
345	D	87.4	Confident	95	Very high	125 Å²	125	56.8 Å²	56.8	67%	0.668	31%	0.308	S	S	*	.	S	Bend	trans	-62.2	-82.1	177.6	-75.2	-5	0	0	0	112.5	F349	D345-F349 HydrophobicContact CB-CD2 4.16Å; D345-F349 HydrophobicContact CB-CE2 4.23Å
346	S	92.5	Very high	95.2	Very high	25 Å²	25	54.5 Å²	54.5	18%	0.175	28%	0.284	C	S	.	.			trans	-136	135.3	-176.1	-176.5	0	0	0	0	109	L348 F349	S346-L348 PolarHBondContact O-N 3.26Å; S346-L348 PolarHBondContact OG-N 2.87Å; S346-F349 VanDerWaalsContact CB-CE2 3.45Å; S346-F349 PolarHBondContact O-N 2.94Å
347	L	94.4	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62.4	-23.9	175.4	-171.1	67.9	0	0	0	111.4	I280 I305 A306 Q311 Y313 Y342 F349 E350	I280-L347 HydrophobicContact CD1-CD1 4.3Å; I280-L347 HydrophobicContact CD1-CG 4.23Å; I280-L347 WeakPolarHBondContact CD1-O 3.48Å; I280-L347 HydrophobicContact CG2-CD2 3.96Å; I280-L347 HydrophobicContact CG2-CG 3.81Å; I305-L347 VanDerWaalsContact C-CD2 3.44Å; I305-L347 WeakPolarHBondContact O-CD2 3.43Å; A306-L347 HydrophobicContact CB-CB 4.42Å; A306-L347 HydrophobicContact CB-CD2 4.02Å; Q311-L347 HydrophobicContact CB-CB 4.38Å; Q311-L347 HydrophobicContact CB-CD2 4.39Å; Q311-L347 HydrophobicContact CG-CB 4.49Å; Y313-L347 HydrophobicContact CD2-CD1 3.81Å; Y313-L347 HydrophobicContact CG-CD1 4.37Å; Y342-L347 HydrophobicContact CD1-CB 4.1Å; Y342-L347 HydrophobicContact CD1-CD1 4.14Å; Y342-L347 HydrophobicContact CD2-CD1 3.64Å; Y342-L347 HydrophobicContact CE1-CB 4.18Å; Y342-L347 HydrophobicContact CE1-CD1 4.31Å; Y342-L347 HydrophobicContact CE2-CD1 3.82Å; Y342-L347 HydrophobicContact CG-CD1 3.78Å; L347-F349 PolarHBondContact O-N 3.14Å; L347-F349 VanDerWaalsContact O-N 3.15Å; L347-E350 HydrophobicContact CD1-CB 4.32Å; L347-E350 WeakPolarHBondContact O-CB 3.49Å; L347-E350 PolarHBondContact O-N 3.4Å; L347-E350 VanDerWaalsContact O-N 3.1Å
348	L	94.4	Very high	95.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61	-21.2	173.6	-77.5	67.4	0	0	0	112.6	Q282 A306 S346 L355	Q282-L348 HydrophobicContact CB-CD1 4.16Å; Q282-L348 HydrophobicContact CG-CD1 4.09Å; A306-L348 HydrophobicContact CB-CD1 4.47Å; S346-L348 PolarHBondContact O-N 3.26Å; S346-L348 PolarHBondContact OG-N 2.87Å; L348-L355 HydrophobicContact CB-CD2 4.34Å; L348-L355 HydrophobicContact CG-CD1 4.26Å; L348-L355 HydrophobicContact CG-CD2 4.4Å
349	F	96	Very high	94.6	Very high	30 Å²	30	47.3 Å²	47.3	13%	0.132	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-96.1	-7.6	179.7	-47.4	-30.5	0	0	0	113	D345 S346 L347 N368 K371 I372 R373	D345-F349 HydrophobicContact CB-CD2 4.16Å; D345-F349 HydrophobicContact CB-CE2 4.23Å; S346-F349 VanDerWaalsContact CB-CE2 3.45Å; S346-F349 PolarHBondContact O-N 2.94Å; L347-F349 PolarHBondContact O-N 3.14Å; L347-F349 VanDerWaalsContact O-N 3.15Å; F349-N368 HydrophobicContact CE1-CB 3.74Å; F349-N368 HydrophobicContact CZ-CB 3.68Å; F349-K371 HydrophobicContact CB-CB 4.24Å; F349-K371 HydrophobicContact CD1-CB 3.59Å; F349-K371 HydrophobicContact CD2-CB 4.06Å; F349-K371 HydrophobicContact CD2-CD 3.97Å; F349-K371 HydrophobicContact CE1-CB 3.96Å; F349-K371 HydrophobicContact CE2-CB 4.38Å; F349-K371 HydrophobicContact CE2-CD 3.75Å; F349-K371 HydrophobicContact CG-CB 3.68Å; F349-K371 HydrophobicContact CG-CD 4.45Å; F349-K371 HydrophobicContact CZ-CB 4.35Å; F349-K371 HydrophobicContact CZ-CD 4.07Å; F349-I372 HydrophobicContact CD1-CG1 4.24Å; F349-R373 VanDerWaalsContact O-CD 3.26Å; F349-R373 WeakPolarHBondContact O-CD 3.46Å; F349-R373 WeakPolarHBondContact O-CG 3.35Å
350	E	96.6	Very high	93.9	Very high	21 Å²	21	50.6 Å²	50.6	10%	0.098	27%	0.268	C	S	.	.	S	Bend	trans	-67.6	150.3	178.5	-167	57.7	-132.9	0	0	110.2	I280 Y313 Y342 K344 L347 C352	I280-E350 HydrophobicContact CD1-CB 3.78Å; I280-E350 HydrophobicContact CD1-CG 4.37Å; Y313-E350 HydrophobicContact CD2-CG 4.29Å; Y313-E350 HydrophobicContact CE2-CG 3.65Å; Y342-E350 HydrophobicContact CE2-CB 4.29Å; Y342-E350 HydrophobicContact CE2-CG 4.11Å; Y342-E350 VanDerWaalsContact CE2-OE2 3.32Å; Y342-E350 WeakPolarHBondContact CE2-OE2 3.11Å; Y342-E350 PolarHBondContact OH-OE2 3.07Å; K344-E350 IonicContact NZ-OE1 3.35Å; K344-E350 IonicContact NZ-OE2 2.91Å; K344-E350 PolarHBondContact NZ-OE2 3.29Å; L347-E350 HydrophobicContact CD1-CB 4.32Å; L347-E350 WeakPolarHBondContact O-CB 3.49Å; L347-E350 PolarHBondContact O-N 3.4Å; L347-E350 VanDerWaalsContact O-N 3.1Å; E350-C352 PolarHBondContact O-N 2.97Å
351	E	96.7	Very high	93.2	Very high	131 Å²	131	45.9 Å²	45.9	61%	0.612	25%	0.248	S	C	*	.			trans	-70.7	123.3	-179.2	-170.7	169.4	172.4	0	0	110.7	I303 R373	I303-E351 WeakPolarHBondContact CD1-O 3.35Å; E351-R373 HydrophobicContact CB-CB 4.45Å
352	C	97.5	Very high	92.6	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.034	23%	0.232	C	C	.	.			trans	-153.7	169.1	174.2	59.2	0	0	0	0	109.2	T278 I280 I303 E350 A374	T278-C352 WeakPolarHBondContact OG1-CA 3.17Å; I280-C352 HydrophobicContact CD1-CB 3.97Å; I280-C352 HydrophobicContact CG1-CB 4Å; I303-C352 HydrophobicContact CD1-CB 3.92Å; E350-C352 PolarHBondContact O-N 2.97Å; C352-A374 VanDerWaalsContact O-CA 3.3Å; C352-A374 WeakPolarHBondContact O-CA 3.36Å
353	D	98.1	Very high	92.5	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	24%	0.24	C	C	.	.	S	Bend	trans	-79.7	-42.3	173.6	-58.8	-60.1	0	0	0	111	L270 K277 T278 K375 L376	L270-D353 HydrophobicContact CD1-CB 4.04Å; L270-D353 HydrophobicContact CD2-CB 4.29Å; L270-D353 VanDerWaalsContact CD2-OD1 3.25Å; L270-D353 WeakPolarHBondContact CD2-OD1 3.47Å; K277-D353 WeakPolarHBondContact CA-OD2 3.2Å; K277-D353 HydrophobicContact CB-CB 4.28Å; K277-D353 HydrophobicContact CD-CB 3.99Å; T278-D353 PolarHBondContact N-OD2 3.36Å; T278-D353 WeakPolarHBondContact O-CB 3.33Å; T278-D353 PolarHBondContact O-N 3.38Å; T278-D353 PolarHBondContact OG1-N 2.92Å; T278-D353 VanDerWaalsContact OG1-N 3.13Å; T278-D353 PolarHBondContact OG1-OD2 3.07Å; D353-K375 PolarHBondContact O-N 3.49Å; D353-L376 PolarHBondContact O-N 3.21Å
354	I	98.5	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.4	-170.1	-54.2	163.6	0	0	0	110.5	I255 L259 L274 K277 T278 F279 I280 I356 L376	I255-I354 HydrophobicContact CD1-CG2 4.14Å; I255-I354 HydrophobicContact CG2-CD1 4.11Å; L259-I354 HydrophobicContact CD1-CD1 3.66Å; L259-I354 HydrophobicContact CD1-CG1 4.25Å; L274-I354 HydrophobicContact CD2-CD1 3.97Å; K277-I354 HydrophobicContact CB-CD1 4.28Å; T278-I354 PolarHBondContact O-N 3.25Å; F279-I354 CarbonylContact C-O 3.45Å; F279-I354 WeakPolarHBondContact CA-O 3.46Å; F279-I354 HydrophobicContact CB-CB 3.78Å; F279-I354 HydrophobicContact CB-CG2 4.31Å; F279-I354 WeakPolarHBondContact CB-O 3.5Å; I280-I354 PolarHBondContact N-O 2.9Å; I354-I356 HydrophobicContact CG2-CD1 4.1Å; I354-I356 HydrophobicContact CG2-CG1 3.85Å; I354-L376 CarbonylContact C-O 3.58Å; I354-L376 WeakPolarHBondContact CA-O 3.45Å; I354-L376 HydrophobicContact CG1-CB 4.31Å; I354-L376 HydrophobicContact CG2-CD2 3.8Å
355	L	98.5	Very high	93	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.1	170.3	178.2	65.1	0	0	0	110.4	I280 L348 P357 I364 I372 A374 L376 I377 G378	I280-L355 HydrophobicContact CB-CD1 4.07Å; I280-L355 HydrophobicContact CG2-CD1 3.89Å; L348-L355 HydrophobicContact CB-CD2 4.34Å; L348-L355 HydrophobicContact CG-CD1 4.26Å; L348-L355 HydrophobicContact CG-CD2 4.4Å; L355-P357 WeakPolarHBondContact O-CD 3.39Å; L355-I364 HydrophobicContact CD2-CD1 4.25Å; L355-I372 HydrophobicContact CD2-CD1 4.08Å; L355-I372 HydrophobicContact CD2-CG1 4.48Å; L355-I372 HydrophobicContact CD2-CG2 4.01Å; L355-A374 HydrophobicContact CB-CB 3.5Å; L355-L376 PolarHBondContact N-O 3.14Å; L355-I377 CarbonylContact O-C 3.42Å; L355-I377 WeakPolarHBondContact O-CA 3.43Å; L355-G378 PolarHBondContact O-N 2.65Å
356	I	98.5	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	94.3	-179.2	-54.5	-163.7	0	0	0	110.3	V251 I255 I280 V281 Q282 T291 L295 I354 A358	V251-I356 HydrophobicContact CG1-CD1 4.18Å; V251-I356 HydrophobicContact CG1-CG2 4.36Å; I255-I356 HydrophobicContact CD1-CD1 3.44Å; I255-I356 VanDerWaalsContact CD1-CD1 3.44Å; I255-I356 HydrophobicContact CD1-CG1 4.26Å; I280-I356 PolarHBondContact O-N 2.99Å; V281-I356 WeakPolarHBondContact CA-O 3.28Å; V281-I356 HydrophobicContact CG1-CB 4.36Å; V281-I356 HydrophobicContact CG1-CG2 4.38Å; V281-I356 HydrophobicContact CG2-CB 4.36Å; Q282-I356 PolarHBondContact N-O 2.83Å; T291-I356 HydrophobicContact CG2-CD1 3.4Å; T291-I356 VanDerWaalsContact CG2-CD1 3.4Å; T291-I356 HydrophobicContact CG2-CG2 4.21Å; L295-I356 HydrophobicContact CD1-CD1 3.44Å; L295-I356 VanDerWaalsContact CD1-CD1 3.44Å; I354-I356 HydrophobicContact CG2-CD1 4.1Å; I354-I356 HydrophobicContact CG2-CG1 3.85Å; I356-A358 HydrophobicContact CG2-CB 4.32Å; I356-A358 PolarHBondContact O-N 3.37Å
357	P	97.1	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	110.5	168.3	29.7	-33.8	0	0	0	110.1	L355 I364 I377 G378 G380 A381 P384	L355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-I364 HydrophobicContact CG-CD1 4.17Å; P357-I377 HydrophobicContact CG-CG2 4.13Å; P357-G378 WeakPolarHBondContact CD-O 2.99Å; P357-G380 CarbonylContact O-C 3.16Å; P357-G380 WeakPolarHBondContact O-CA 3.42Å; P357-G380 PolarHBondContact O-N 3.39Å; P357-A381 PolarHBondContact O-N 2.92Å; P357-P384 HydrophobicContact CB-CB 3.6Å; P357-P384 HydrophobicContact CB-CG 4.11Å; P357-P384 HydrophobicContact CG-CB 3.74Å; P357-P384 HydrophobicContact CG-CG 3.71Å
358	A	95	Very high	93.4	Very high	13 Å²	13	33.4 Å²	33.4	11%	0.107	19%	0.185	C	C	.	.			trans	-128	19.2	-177	0	0	0	0	0	113.1	V281 Q282 V287 I356	V281-A358 HydrophobicContact CG1-CB 4.23Å; Q282-A358 CarbonylContact O-C 3.56Å; Q282-A358 WeakPolarHBondContact O-CA 3.45Å; Q282-A358 WeakPolarHBondContact O-CB 3.2Å; Q282-A358 PolarHBondContact O-N 2.8Å; V287-A358 HydrophobicContact CB-CB 4.19Å; V287-A358 HydrophobicContact CG1-CB 3.94Å; I356-A358 HydrophobicContact CG2-CB 4.32Å; I356-A358 PolarHBondContact O-N 3.37Å
359	A	87.1	Confident	93.4	Very high	40 Å²	40	33 Å²	33	33%	0.331	18%	0.183	S	C	.	.	S	Bend	trans	-100.2	-116.6	176.3	0	0	0	0	0	111.4	Q282 A381	Q282-A359 HydrophobicContact CG-CB 4.1Å; Q282-A359 PolarHBondContact O-N 3.16Å; Q282-A359 VanDerWaalsContact O-N 3.17Å; A359-A381 WeakPolarHBondContact O-CB 3.38Å
360	N	81.6	Confident	93.4	Very high	84 Å²	84	35.8 Å²	35.8	45%	0.449	20%	0.199	S	C	.	.	S	Bend	trans	-95.3	176.2	-178.9	-65.2	-15.8	0	0	0	112.3	Q363	N360-Q363 VanDerWaalsContact O-CG 3.23Å; N360-Q363 WeakPolarHBondContact O-CG 3.09Å
361	E	81.4	Confident	93.4	Very high	63 Å²	63	39.8 Å²	39.8	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	-69.2	164.4	170.2	64.9	-79.7	-178.6	0	0	113.1	F41 Q363 N382 G383	F41-E361 HydrophobicContact CD2-CG 4.47Å; F41-E361 HydrophobicContact CE2-CB 4.46Å; E361-Q363 PolarHBondContact O-N 3.32Å; E361-Q363 VanDerWaalsContact O-N 3.08Å; E361-Q363 PolarHBondContact O-NE2 3.06Å; E361-N382 WeakPolarHBondContact CB-O 3.28Å; E361-G383 CarbonylContact C-O 3.57Å; E361-G383 VanDerWaalsContact CA-O 3.31Å; E361-G383 WeakPolarHBondContact CA-O 3.35Å; E361-G383 WeakPolarHBondContact CB-O 3.47Å
362	K	84.7	Confident	93.4	Very high	56 Å²	56	33.8 Å²	33.8	24%	0.243	19%	0.188	C	C	.	.	S	Bend	trans	54.4	26.7	171.8	-54.5	-171.8	-68.3	176	0	115.7	D38 I364 G383 P384 T386	D38-K362 IonicContact OD1-NZ 2.7Å; D38-K362 PolarHBondContact OD1-NZ 2.84Å; K362-I364 VanDerWaalsContact C-N 3.31Å; K362-G383 PolarHBondContact N-O 2.79Å; K362-P384 CarbonylContact C-O 3.55Å; K362-P384 WeakPolarHBondContact CA-O 3.19Å; K362-P384 PolarHBondContact N-O 2.97Å; K362-T386 HydrophobicContact CB-CG2 4.08Å; K362-T386 HydrophobicContact CG-CG2 4.13Å
363	Q	90	Very high	93.4	Very high	61 Å²	61	40.3 Å²	40.3	29%	0.285	21%	0.212	S	C	.	.			trans	-70.9	-29.3	177.2	-59.6	-58.2	-62.4	0	0	112.5	N360 E361 N368 P384	N360-Q363 VanDerWaalsContact O-CG 3.23Å; N360-Q363 WeakPolarHBondContact O-CG 3.09Å; E361-Q363 PolarHBondContact O-N 3.32Å; E361-Q363 VanDerWaalsContact O-N 3.08Å; E361-Q363 PolarHBondContact O-NE2 3.06Å; Q363-N368 PolarHBondContact O-ND2 2.99Å; Q363-P384 PolarHBondContact N-O 3.26Å
364	I	94	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-109	111.2	175.6	-52.9	173.6	0	0	0	107.7	L355 P357 K362 N368 A369 I372 I377 P384 T385 T386 A389 L393	L355-I364 HydrophobicContact CD2-CD1 4.25Å; P357-I364 HydrophobicContact CG-CD1 4.17Å; K362-I364 VanDerWaalsContact C-N 3.31Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; I364-A369 HydrophobicContact CG2-CB 4.18Å; I364-I372 HydrophobicContact CB-CD1 4.26Å; I364-I372 HydrophobicContact CD1-CD1 3.79Å; I364-I372 HydrophobicContact CG1-CD1 3.85Å; I364-I372 HydrophobicContact CG2-CD1 3.4Å; I364-I372 VanDerWaalsContact CG2-CD1 3.4Å; I364-I377 HydrophobicContact CD1-CG2 3.95Å; I364-P384 PolarHBondContact N-O 2.99Å; I364-T385 HydrophobicContact CB-CG2 4.18Å; I364-T385 HydrophobicContact CG2-CG2 4.16Å; I364-T385 CarbonylContact O-C 3.59Å; I364-T385 WeakPolarHBondContact O-CA 3.49Å; I364-T386 PolarHBondContact O-N 3.04Å; I364-A389 HydrophobicContact CG2-CB 3.95Å; I364-A389 VanDerWaalsContact O-CB 3.31Å; I364-A389 WeakPolarHBondContact O-CB 3.37Å; I364-L393 HydrophobicContact CG2-CD1 4.14Å
365	H	93.4	Very high	93.3	Very high	67 Å²	67	43 Å²	43	31%	0.31	22%	0.222	S	C	.	.			trans	-133.7	171.8	-173.7	61.3	87.1	0	0	0	110.2	D37 G367 N368 A369 T386	D37-H365 HydrophobicContact CB-CB 4.35Å; D37-H365 IonicContact OD2-ND1 3.64Å; H365-G367 PolarHBondContact ND1-N 2.8Å; H365-G367 PolarHBondContact O-N 3.15Å; H365-G367 VanDerWaalsContact O-N 3.13Å; H365-N368 PolarHBondContact CD2-ND2 3.33Å; H365-N368 PolarHBondContact N-OD1 3.21Å; H365-N368 PolarHBondContact NE2-ND2 3.32Å; H365-N368 PolarHBondContact O-N 3.21Å; H365-N368 PolarHBondContact O-OD1 3.17Å; H365-A369 WeakPolarHBondContact O-CB 3.4Å; H365-A369 PolarHBondContact O-N 3.15Å; H365-T386 HydrophobicContact CB-CG2 3.9Å
366	S	93	Very high	93.3	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.14	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.8	-171	79.6	0	0	0	0	114.7	D37 N368 K388	D37-S366 VanDerWaalsContact CG-N 3.26Å; D37-S366 VanDerWaalsContact OD1-CB 3.29Å; D37-S366 WeakPolarHBondContact OD1-CB 3.26Å; D37-S366 PolarHBondContact OD1-N 2.8Å; D37-S366 PolarHBondContact OD1-OG 2.78Å; D37-S366 WeakPolarHBondContact OD2-CA 3.46Å; D37-S366 WeakPolarHBondContact OD2-CB 3.06Å; D37-S366 PolarHBondContact OD2-N 2.87Å; D37-S366 PolarHBondContact OD2-OG 2.86Å; S366-N368 VanDerWaalsContact C-N 3.31Å; S366-N368 PolarHBondContact O-N 2.73Å; S366-K388 WeakPolarHBondContact OG-CE 3.28Å; S366-K388 PolarHBondContact OG-NZ 3.45Å
367	G	93.5	Very high	93.3	Very high	51 Å²	51	42.9 Å²	42.9	53%	0.526	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.2	174.6	0	0	0	0	0	115.1	H365	H365-G367 PolarHBondContact ND1-N 2.8Å; H365-G367 PolarHBondContact O-N 3.15Å; H365-G367 VanDerWaalsContact O-N 3.13Å
368	N	95	Very high	93.3	Very high	16 Å²	16	42.9 Å²	42.9	9%	0.086	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-18.5	-176.6	78.8	0.7	0	0	0	115.1	F349 Q363 I364 H365 S366 D370 K371	F349-N368 HydrophobicContact CE1-CB 3.74Å; F349-N368 HydrophobicContact CZ-CB 3.68Å; Q363-N368 PolarHBondContact O-ND2 2.99Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; H365-N368 PolarHBondContact CD2-ND2 3.33Å; H365-N368 PolarHBondContact N-OD1 3.21Å; H365-N368 PolarHBondContact NE2-ND2 3.32Å; H365-N368 PolarHBondContact O-N 3.21Å; H365-N368 PolarHBondContact O-OD1 3.17Å; S366-N368 VanDerWaalsContact C-N 3.31Å; S366-N368 PolarHBondContact O-N 2.73Å; N368-D370 PolarHBondContact O-N 3.04Å; N368-D370 VanDerWaalsContact O-N 3.12Å; N368-K371 WeakPolarHBondContact O-CB 3.4Å; N368-K371 PolarHBondContact O-N 2.91Å
369	A	95.6	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54.6	-35.6	-179	0	0	0	0	0	112.5	I364 H365 K371 I372 A389 I392 L393	I364-A369 HydrophobicContact CG2-CB 4.18Å; H365-A369 WeakPolarHBondContact O-CB 3.4Å; H365-A369 PolarHBondContact O-N 3.15Å; A369-K371 PolarHBondContact O-N 2.73Å; A369-I372 PolarHBondContact O-N 2.86Å; A369-A389 HydrophobicContact CB-CB 3.77Å; A369-I392 HydrophobicContact CB-CB 4.08Å; A369-I392 HydrophobicContact CB-CD1 4.28Å; A369-I392 HydrophobicContact CB-CG2 3.88Å; A369-L393 HydrophobicContact CB-CG 4.39Å
370	D	95.5	Very high	93.6	Very high	88 Å²	88	41.1 Å²	41.1	47%	0.471	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-65.7	-23.2	179.1	-83.6	-42.3	0	0	0	114.6	N368 I392 K396	N368-D370 PolarHBondContact O-N 3.04Å; N368-D370 VanDerWaalsContact O-N 3.12Å; D370-I392 WeakPolarHBondContact OD1-CG2 3.3Å; D370-K396 PolarHBondContact O-NZ 2.87Å; D370-K396 VanDerWaalsContact OD1-CE 3.28Å; D370-K396 WeakPolarHBondContact OD1-CE 3.43Å; D370-K396 IonicContact OD1-NZ 3.92Å; D370-K396 PolarHBondContact OD1-NZ 2.69Å
371	K	96.4	Very high	93.9	Very high	105 Å²	105	37.5 Å²	37.5	46%	0.457	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-88.6	-12.1	-177.7	-60	-179.7	-179.4	-174.4	0	112.7	F349 N368 A369 R373	F349-K371 HydrophobicContact CB-CB 4.24Å; F349-K371 HydrophobicContact CD1-CB 3.59Å; F349-K371 HydrophobicContact CD2-CB 4.06Å; F349-K371 HydrophobicContact CD2-CD 3.97Å; F349-K371 HydrophobicContact CE1-CB 3.96Å; F349-K371 HydrophobicContact CE2-CB 4.38Å; F349-K371 HydrophobicContact CE2-CD 3.75Å; F349-K371 HydrophobicContact CG-CB 3.68Å; F349-K371 HydrophobicContact CG-CD 4.45Å; F349-K371 HydrophobicContact CZ-CB 4.35Å; F349-K371 HydrophobicContact CZ-CD 4.07Å; N368-K371 WeakPolarHBondContact O-CB 3.4Å; N368-K371 PolarHBondContact O-N 2.91Å; A369-K371 PolarHBondContact O-N 2.73Å; K371-R373 PolarHBondContact O-N 3.16Å
372	I	97	Very high	94	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.183	C	C	.	.			trans	-70.5	118.3	-178	-65.6	179.6	0	0	0	110.4	F349 L355 I364 A369 A374 L393	F349-I372 HydrophobicContact CD1-CG1 4.24Å; L355-I372 HydrophobicContact CD2-CD1 4.08Å; L355-I372 HydrophobicContact CD2-CG1 4.48Å; L355-I372 HydrophobicContact CD2-CG2 4.01Å; I364-I372 HydrophobicContact CB-CD1 4.26Å; I364-I372 HydrophobicContact CD1-CD1 3.79Å; I364-I372 HydrophobicContact CG1-CD1 3.85Å; I364-I372 HydrophobicContact CG2-CD1 3.4Å; I364-I372 VanDerWaalsContact CG2-CD1 3.4Å; A369-I372 PolarHBondContact O-N 2.86Å; I372-A374 HydrophobicContact CG2-CB 3.92Å; I372-L393 HydrophobicContact CB-CD2 4.28Å; I372-L393 HydrophobicContact CD1-CD2 4.38Å; I372-L393 HydrophobicContact CG2-CD2 4.47Å
373	R	96.9	Very high	94	Very high	142 Å²	142	34 Å²	34	54%	0.536	17%	0.173	S	C	.	.			trans	-89.6	-24.2	-179.5	-64.8	-176	-173.7	-169.6	0.9	113.1	F349 E351 K371 K398	F349-R373 VanDerWaalsContact O-CD 3.26Å; F349-R373 WeakPolarHBondContact O-CD 3.46Å; F349-R373 WeakPolarHBondContact O-CG 3.35Å; E351-R373 HydrophobicContact CB-CB 4.45Å; K371-R373 PolarHBondContact O-N 3.16Å; R373-K398 PolarHBondContact O-NZ 2.9Å
374	A	97.9	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.			trans	-47.8	141.2	175.8	0	0	0	0	0	112.9	C352 L355 I372 K398	C352-A374 VanDerWaalsContact O-CA 3.3Å; C352-A374 WeakPolarHBondContact O-CA 3.36Å; L355-A374 HydrophobicContact CB-CB 3.5Å; I372-A374 HydrophobicContact CG2-CB 3.92Å; A374-K398 WeakPolarHBondContact O-CD 3.31Å; A374-K398 VanDerWaalsContact O-CE 3.24Å; A374-K398 WeakPolarHBondContact O-CE 3.32Å; A374-K398 PolarHBondContact O-NZ 2.9Å
375	K	97.7	Very high	93.9	Very high	90 Å²	90	31.3 Å²	31.3	39%	0.391	16%	0.161	S	C	.	.	S	Bend	trans	-86.4	-36.8	179	-57.9	-63.4	-176.4	169.3	0	111.5	I268 L270 D353 L399	I268-K375 HydrophobicContact CB-CB 4.38Å; I268-K375 HydrophobicContact CD1-CB 4.33Å; L270-K375 HydrophobicContact CD1-CB 3.95Å; L270-K375 HydrophobicContact CD1-CG 4.48Å; L270-K375 HydrophobicContact CD2-CB 4.44Å; L270-K375 HydrophobicContact CD2-CG 4.08Å; L270-K375 HydrophobicContact CG-CB 4.1Å; L270-K375 HydrophobicContact CG-CG 4.25Å; D353-K375 PolarHBondContact O-N 3.49Å; K375-L399 PolarHBondContact O-N 3.34Å
376	L	98.1	Very high	93.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.7	176.2	-170.5	154.2	0	0	0	109.9	I255 L259 I268 D353 I354 L355 L399 I401	I255-L376 HydrophobicContact CG1-CD2 4.21Å; I255-L376 HydrophobicContact CG2-CD1 4.43Å; I255-L376 HydrophobicContact CG2-CD2 4.48Å; L259-L376 HydrophobicContact CD1-CD1 4.14Å; L259-L376 HydrophobicContact CD2-CD1 3.63Å; L259-L376 HydrophobicContact CG-CD1 3.69Å; I268-L376 HydrophobicContact CD1-CB 4.2Å; I268-L376 HydrophobicContact CD1-CD1 4.49Å; D353-L376 PolarHBondContact O-N 3.21Å; I354-L376 CarbonylContact C-O 3.58Å; I354-L376 WeakPolarHBondContact CA-O 3.45Å; I354-L376 HydrophobicContact CG1-CB 4.31Å; I354-L376 HydrophobicContact CG2-CD2 3.8Å; L355-L376 PolarHBondContact N-O 3.14Å; L376-L399 CarbonylContact C-O 3.44Å; L376-L399 WeakPolarHBondContact CA-O 3.24Å; L376-L399 HydrophobicContact CD1-CD2 4.08Å; L376-L399 HydrophobicContact CG-CD2 4.47Å; L376-I401 HydrophobicContact CD1-CD1 4.02Å; L376-I401 HydrophobicContact CD2-CD1 4.01Å; L376-I401 HydrophobicContact CD2-CG1 4.43Å; L376-I401 HydrophobicContact CG-CD1 4.27Å
377	I	98.1	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.1	170.7	-59.8	86.2	0	0	0	107.4	L355 P357 I364 L393 K398 L399 V400 I401	L355-I377 CarbonylContact O-C 3.42Å; L355-I377 WeakPolarHBondContact O-CA 3.43Å; P357-I377 HydrophobicContact CG-CG2 4.13Å; I364-I377 HydrophobicContact CD1-CG2 3.95Å; I377-L393 HydrophobicContact CD1-CD1 4.28Å; I377-L393 HydrophobicContact CD1-CD2 4.17Å; I377-L393 HydrophobicContact CG1-CD1 4.47Å; I377-K398 HydrophobicContact CD1-CB 3.76Å; I377-K398 HydrophobicContact CD1-CG 4.39Å; I377-L399 PolarHBondContact N-O 2.83Å; I377-V400 HydrophobicContact CB-CG2 4.29Å; I377-V400 HydrophobicContact CD1-CG2 4.21Å; I377-V400 WeakPolarHBondContact O-CA 3.18Å; I377-I401 PolarHBondContact O-N 3.39Å
378	G	97.8	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100.1	177.5	0	0	0	0	0	110.9	L355 P357 G380	L355-G378 PolarHBondContact O-N 2.65Å; P357-G378 WeakPolarHBondContact CD-O 2.99Å; G378-G380 PolarHBondContact O-N 2.88Å
379	E	96.1	Very high	93.2	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.061	14%	0.136	C	C	.	.			trans	-69.4	92.6	-177.6	-58.9	-166.4	136.5	0	0	113.2	P384 T385 V400 I401 P402 D403 L406	E379-P384 HydrophobicContact CB-CG 3.68Å; E379-P384 HydrophobicContact CG-CG 3.65Å; E379-T385 WeakPolarHBondContact OE1-CB 3.38Å; E379-T385 PolarHBondContact OE1-N 2.69Å; E379-T385 PolarHBondContact OE1-OG1 3.24Å; E379-V400 HydrophobicContact CG-CG1 4.12Å; E379-I401 WeakPolarHBondContact CB-O 2.98Å; E379-I401 WeakPolarHBondContact CG-O 3.43Å; E379-I401 PolarHBondContact N-O 3.12Å; E379-P402 WeakPolarHBondContact OE2-CA 3.41Å; E379-D403 HydrophobicContact CB-CB 3.85Å; E379-D403 PolarHBondContact OE2-N 3.37Å; E379-L406 VanDerWaalsContact N-CD2 3.28Å
380	G	92.5	Very high	93	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	14%	0.144	C	C	.	.			trans	-79.4	-35.3	175.8	0	0	0	0	0	113.2	P357 G378 N407	P357-G380 CarbonylContact O-C 3.16Å; P357-G380 WeakPolarHBondContact O-CA 3.42Å; P357-G380 PolarHBondContact O-N 3.39Å; G378-G380 PolarHBondContact O-N 2.88Å; G380-N407 WeakPolarHBondContact O-CB 3.47Å; G380-N407 PolarHBondContact O-ND2 2.68Å
381	A	87.2	Confident	92.9	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	14%	0.144	C	C	.	.	S	Bend	trans	-76.8	173	172.2	0	0	0	0	0	111.6	P357 A359 P384 D403 N407	P357-A381 PolarHBondContact O-N 2.92Å; A359-A381 WeakPolarHBondContact O-CB 3.38Å; A381-P384 HydrophobicContact CB-CB 4.25Å; A381-P384 HydrophobicContact CB-CG 4.39Å; A381-D403 VanDerWaalsContact O-CB 3.28Å; A381-D403 WeakPolarHBondContact O-CB 3.45Å; A381-N407 PolarHBondContact O-ND2 2.98Å
382	N	83.1	Confident	92.8	Very high	42 Å²	42	27.8 Å²	27.8	23%	0.225	13%	0.128	C	C	.	.	S	Bend	trans	-93.1	125.2	171.6	-61.6	-71.3	0	0	0	109.4	K146 E361 P384 N407	K146-N382 PolarHBondContact NZ-OD1 3.48Å; E361-N382 WeakPolarHBondContact CB-O 3.28Å; N382-P384 VanDerWaalsContact C-CD 3.47Å; N382-N407 PolarHBondContact OD1-ND2 2.72Å; N382-N407 VanDerWaalsContact OD1-ND2 3.17Å
383	G	84.8	Confident	92.8	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	55.5	42.9	-179.3	0	0	0	0	0	116	E361 K362 T385 D403	E361-G383 CarbonylContact C-O 3.57Å; E361-G383 VanDerWaalsContact CA-O 3.31Å; E361-G383 WeakPolarHBondContact CA-O 3.35Å; E361-G383 WeakPolarHBondContact CB-O 3.47Å; K362-G383 PolarHBondContact N-O 2.79Å; G383-T385 PolarHBondContact O-N 2.98Å; G383-D403 PolarHBondContact N-OD2 3.02Å
384	P	90.5	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.			trans	-67.5	-23	179.1	29.1	-33.3	0	0	0	112.9	P357 K362 Q363 I364 E379 A381 N382	P357-P384 HydrophobicContact CB-CB 3.6Å; P357-P384 HydrophobicContact CB-CG 4.11Å; P357-P384 HydrophobicContact CG-CB 3.74Å; P357-P384 HydrophobicContact CG-CG 3.71Å; K362-P384 CarbonylContact C-O 3.55Å; K362-P384 WeakPolarHBondContact CA-O 3.19Å; K362-P384 PolarHBondContact N-O 2.97Å; Q363-P384 PolarHBondContact N-O 3.26Å; I364-P384 PolarHBondContact N-O 2.99Å; E379-P384 HydrophobicContact CB-CG 3.68Å; E379-P384 HydrophobicContact CG-CG 3.65Å; A381-P384 HydrophobicContact CB-CB 4.25Å; A381-P384 HydrophobicContact CB-CG 4.39Å; N382-P384 VanDerWaalsContact C-CD 3.47Å
385	T	91.6	Very high	92.5	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-108.8	129.9	-178.6	-47.3	0	0	0	0	111.4	I364 E379 G383 A389 D390 L393	I364-T385 HydrophobicContact CB-CG2 4.18Å; I364-T385 HydrophobicContact CG2-CG2 4.16Å; I364-T385 CarbonylContact O-C 3.59Å; I364-T385 WeakPolarHBondContact O-CA 3.49Å; E379-T385 WeakPolarHBondContact OE1-CB 3.38Å; E379-T385 PolarHBondContact OE1-N 2.69Å; E379-T385 PolarHBondContact OE1-OG1 3.24Å; G383-T385 PolarHBondContact O-N 2.98Å; T385-A389 HydrophobicContact CG2-CB 3.62Å; T385-D390 HydrophobicContact CG2-CB 4.17Å; T385-L393 HydrophobicContact CG2-CD1 3.98Å
386	T	90.3	Very high	92.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	15%	0.153	C	C	.	.			trans	-73.2	154.9	173.3	72.5	0	0	0	0	111.1	D37 K362 I364 H365 K388 A389 D390	D37-T386 PolarHBondContact OD1-OG1 3.46Å; K362-T386 HydrophobicContact CB-CG2 4.08Å; K362-T386 HydrophobicContact CG-CG2 4.13Å; I364-T386 PolarHBondContact O-N 3.04Å; H365-T386 HydrophobicContact CB-CG2 3.9Å; T386-K388 PolarHBondContact O-N 3.04Å; T386-K388 VanDerWaalsContact O-N 3.14Å; T386-A389 WeakPolarHBondContact O-CB 3.46Å; T386-A389 PolarHBondContact O-N 3.43Å; T386-A389 WeakPolarHBondContact OG1-CB 3.18Å; T386-A389 PolarHBondContact OG1-N 2.87Å; T386-D390 PolarHBondContact O-N 2.89Å
387	P	87.8	Confident	92.2	Very high	26 Å²	26	37.8 Å²	37.8	17%	0.169	18%	0.179	C	C	.	.	H	α-helix	trans	-55.2	-35.1	178.8	-25.2	32.4	0	0	0	113.7	M44 F48 K391	M44-P387 HydrophobicContact CG-CG 3.78Å; M44-P387 HydrophobicContact SD-CG 4.44Å; F48-P387 HydrophobicContact CE1-CB 4.08Å; F48-P387 HydrophobicContact CE1-CG 3.81Å; F48-P387 HydrophobicContact CZ-CB 4.4Å; F48-P387 HydrophobicContact CZ-CG 3.74Å; P387-K391 PolarHBondContact O-N 3.49Å
388	K	88.7	Confident	92.2	Very high	82 Å²	82	39.1 Å²	39.1	36%	0.357	19%	0.185	S	C	.	.	H	α-helix	trans	-72.1	-41.4	177.5	-171.7	172.4	170.7	-158.4	0	112	E35 S366 T386 D390 K391 I392	E35-K388 VanDerWaalsContact O-CD 3.27Å; E35-K388 WeakPolarHBondContact O-CD 3.48Å; S366-K388 WeakPolarHBondContact OG-CE 3.28Å; S366-K388 PolarHBondContact OG-NZ 3.45Å; T386-K388 PolarHBondContact O-N 3.04Å; T386-K388 VanDerWaalsContact O-N 3.14Å; K388-D390 VanDerWaalsContact C-N 3.34Å; K388-K391 WeakPolarHBondContact O-CB 3.39Å; K388-K391 PolarHBondContact O-N 2.91Å; K388-I392 HydrophobicContact CG-CD1 4.48Å; K388-I392 WeakPolarHBondContact O-CG1 3.4Å; K388-I392 PolarHBondContact O-N 2.97Å; K388-I392 VanDerWaalsContact O-N 3.15Å
389	A	93.5	Very high	92.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-41.7	172.9	0	0	0	0	0	112.3	I364 A369 T385 T386 K391 I392 L393	I364-A389 HydrophobicContact CG2-CB 3.95Å; I364-A389 VanDerWaalsContact O-CB 3.31Å; I364-A389 WeakPolarHBondContact O-CB 3.37Å; A369-A389 HydrophobicContact CB-CB 3.77Å; T385-A389 HydrophobicContact CG2-CB 3.62Å; T386-A389 WeakPolarHBondContact O-CB 3.46Å; T386-A389 PolarHBondContact O-N 3.43Å; T386-A389 WeakPolarHBondContact OG1-CB 3.18Å; T386-A389 PolarHBondContact OG1-N 2.87Å; A389-K391 VanDerWaalsContact C-N 3.27Å; A389-K391 PolarHBondContact O-N 3.36Å; A389-I392 PolarHBondContact O-N 2.92Å; A389-I392 VanDerWaalsContact O-N 3.15Å; A389-L393 WeakPolarHBondContact O-CB 3.29Å; A389-L393 VanDerWaalsContact O-CG 3.3Å; A389-L393 WeakPolarHBondContact O-CG 3.5Å; A389-L393 PolarHBondContact O-N 2.96Å
390	D	92	Very high	92.2	Very high	32 Å²	32	41 Å²	41	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-40.3	175.4	171.2	72.1	0	0	0	111.8	T385 T386 K388 L393 R394	T385-D390 HydrophobicContact CG2-CB 4.17Å; T386-D390 PolarHBondContact O-N 2.89Å; K388-D390 VanDerWaalsContact C-N 3.34Å; D390-L393 PolarHBondContact O-N 2.85Å; D390-R394 WeakPolarHBondContact O-CB 3.23Å; D390-R394 WeakPolarHBondContact O-CG 3.19Å; D390-R394 PolarHBondContact O-N 2.79Å; D390-R394 PolarHBondContact O-NE 3.02Å; D390-R394 IonicContact OD1-NE 2.69Å; D390-R394 IonicContact OD2-CZ 3.84Å; D390-R394 IonicContact OD2-NE 3.44Å; D390-R394 PolarHBondContact OD2-NE 3Å; D390-R394 IonicContact OD2-NH2 2.73Å; D390-R394 PolarHBondContact OD2-NH2 3.5Å
391	K	92.3	Very high	92.4	Very high	108 Å²	108	40.9 Å²	40.9	47%	0.47	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-48.5	174.2	-172.8	-178.6	174.9	-175	0	111.9	P387 K388 A389 R394 E395	P387-K391 PolarHBondContact O-N 3.49Å; K388-K391 WeakPolarHBondContact O-CB 3.39Å; K388-K391 PolarHBondContact O-N 2.91Å; A389-K391 VanDerWaalsContact C-N 3.27Å; A389-K391 PolarHBondContact O-N 3.36Å; K391-R394 PolarHBondContact O-N 3.43Å; K391-E395 WeakPolarHBondContact CE-OE1 3.29Å; K391-E395 WeakPolarHBondContact CG-OE1 3.24Å; K391-E395 WeakPolarHBondContact O-CG 3.32Å; K391-E395 PolarHBondContact O-N 3.5Å
392	I	95.7	Very high	92.7	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-46.1	178.9	-67.7	165.5	0	0	0	111.1	A369 D370 K388 A389 R394 E395 K396	A369-I392 HydrophobicContact CB-CB 4.08Å; A369-I392 HydrophobicContact CB-CD1 4.28Å; A369-I392 HydrophobicContact CB-CG2 3.88Å; D370-I392 WeakPolarHBondContact OD1-CG2 3.3Å; K388-I392 HydrophobicContact CG-CD1 4.48Å; K388-I392 WeakPolarHBondContact O-CG1 3.4Å; K388-I392 PolarHBondContact O-N 2.97Å; K388-I392 VanDerWaalsContact O-N 3.15Å; A389-I392 PolarHBondContact O-N 2.92Å; A389-I392 VanDerWaalsContact O-N 3.15Å; I392-R394 PolarHBondContact O-N 3.35Å; I392-E395 PolarHBondContact O-N 3.38Å; I392-K396 HydrophobicContact CG2-CD 4.48Å; I392-K396 PolarHBondContact O-N 3.16Å
393	L	96.1	Very high	93	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-43.1	179	-70.5	173.8	0	0	0	111.6	I364 A369 I372 I377 T385 A389 D390 K396 N397 K398 V400	I364-L393 HydrophobicContact CG2-CD1 4.14Å; A369-L393 HydrophobicContact CB-CG 4.39Å; I372-L393 HydrophobicContact CB-CD2 4.28Å; I372-L393 HydrophobicContact CD1-CD2 4.38Å; I372-L393 HydrophobicContact CG2-CD2 4.47Å; I377-L393 HydrophobicContact CD1-CD1 4.28Å; I377-L393 HydrophobicContact CD1-CD2 4.17Å; I377-L393 HydrophobicContact CG1-CD1 4.47Å; T385-L393 HydrophobicContact CG2-CD1 3.98Å; A389-L393 WeakPolarHBondContact O-CB 3.29Å; A389-L393 VanDerWaalsContact O-CG 3.3Å; A389-L393 WeakPolarHBondContact O-CG 3.5Å; A389-L393 PolarHBondContact O-N 2.96Å; D390-L393 PolarHBondContact O-N 2.85Å; L393-K396 CarbonylContact O-C 3.55Å; L393-K396 PolarHBondContact O-N 3.44Å; L393-N397 PolarHBondContact O-N 2.96Å; L393-K398 HydrophobicContact CB-CB 4.18Å; L393-K398 HydrophobicContact CB-CG 4.4Å; L393-K398 HydrophobicContact CD2-CB 4.45Å; L393-K398 HydrophobicContact CD2-CG 4.08Å; L393-K398 VanDerWaalsContact O-CB 3.29Å; L393-K398 WeakPolarHBondContact O-CB 3.18Å; L393-K398 VanDerWaalsContact O-CG 3.32Å; L393-K398 WeakPolarHBondContact O-CG 3.47Å; L393-K398 PolarHBondContact O-N 2.75Å; L393-V400 HydrophobicContact CB-CG2 4.02Å; L393-V400 HydrophobicContact CD1-CG2 3.8Å
394	R	92.8	Very high	93.3	Very high	114 Å²	114	44 Å²	44	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-40.8	176.5	-75.6	-172.7	-74.4	101.3	2.8	112.7	D390 K391 I392 K396 N397	D390-R394 WeakPolarHBondContact O-CB 3.23Å; D390-R394 WeakPolarHBondContact O-CG 3.19Å; D390-R394 PolarHBondContact O-N 2.79Å; D390-R394 PolarHBondContact O-NE 3.02Å; D390-R394 IonicContact OD1-NE 2.69Å; D390-R394 IonicContact OD2-CZ 3.84Å; D390-R394 IonicContact OD2-NE 3.44Å; D390-R394 PolarHBondContact OD2-NE 3Å; D390-R394 IonicContact OD2-NH2 2.73Å; D390-R394 PolarHBondContact OD2-NH2 3.5Å; K391-R394 PolarHBondContact O-N 3.43Å; I392-R394 PolarHBondContact O-N 3.35Å; R394-K396 PolarHBondContact O-N 3.45Å; R394-N397 WeakPolarHBondContact O-CA 3.3Å; R394-N397 PolarHBondContact O-N 3.29Å
395	E	95.5	Very high	93.6	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	23%	0.228	S	C	*	.	H	α-helix	trans	-62.2	-31.2	175	-74.4	169.9	-175.4	0	0	111.9	K391 I392 N397	K391-E395 WeakPolarHBondContact CE-OE1 3.29Å; K391-E395 WeakPolarHBondContact CG-OE1 3.24Å; K391-E395 WeakPolarHBondContact O-CG 3.32Å; K391-E395 PolarHBondContact O-N 3.5Å; I392-E395 PolarHBondContact O-N 3.38Å; E395-N397 PolarHBondContact O-N 2.85Å
396	K	95.6	Very high	93.7	Very high	92 Å²	92	47.6 Å²	47.6	40%	0.4	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	13.4	172.7	-73.8	-176.9	159	171	0	114.4	D370 I392 L393 R394 K398	D370-K396 PolarHBondContact O-NZ 2.87Å; D370-K396 VanDerWaalsContact OD1-CE 3.28Å; D370-K396 WeakPolarHBondContact OD1-CE 3.43Å; D370-K396 IonicContact OD1-NZ 3.92Å; D370-K396 PolarHBondContact OD1-NZ 2.69Å; I392-K396 HydrophobicContact CG2-CD 4.48Å; I392-K396 PolarHBondContact O-N 3.16Å; L393-K396 CarbonylContact O-C 3.55Å; L393-K396 PolarHBondContact O-N 3.44Å; R394-K396 PolarHBondContact O-N 3.45Å; K396-K398 HydrophobicContact CB-CG 4.13Å; K396-K398 PolarHBondContact O-N 3.48Å
397	N	95.2	Very high	93.8	Very high	104 Å²	104	48 Å²	48	56%	0.556	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	39.5	177.9	-161	35.3	0	0	0	112.9	A267 L393 R394 E395	A267-N397 PolarHBondContact O-ND2 3.05Å; L393-N397 PolarHBondContact O-N 2.96Å; R394-N397 WeakPolarHBondContact O-CA 3.3Å; R394-N397 PolarHBondContact O-N 3.29Å; E395-N397 PolarHBondContact O-N 2.85Å
398	K	96.6	Very high	94	Very high	28 Å²	28	46.8 Å²	46.8	12%	0.122	22%	0.221	C	C	.	.			trans	-90.8	141.3	172.2	-51	-56.7	-163.6	160.1	0	109.9	R373 A374 I377 L393 K396	R373-K398 PolarHBondContact O-NZ 2.9Å; A374-K398 WeakPolarHBondContact O-CD 3.31Å; A374-K398 VanDerWaalsContact O-CE 3.24Å; A374-K398 WeakPolarHBondContact O-CE 3.32Å; A374-K398 PolarHBondContact O-NZ 2.9Å; I377-K398 HydrophobicContact CD1-CB 3.76Å; I377-K398 HydrophobicContact CD1-CG 4.39Å; L393-K398 HydrophobicContact CB-CB 4.18Å; L393-K398 HydrophobicContact CB-CG 4.4Å; L393-K398 HydrophobicContact CD2-CB 4.45Å; L393-K398 HydrophobicContact CD2-CG 4.08Å; L393-K398 VanDerWaalsContact O-CB 3.29Å; L393-K398 WeakPolarHBondContact O-CB 3.18Å; L393-K398 VanDerWaalsContact O-CG 3.32Å; L393-K398 WeakPolarHBondContact O-CG 3.47Å; L393-K398 PolarHBondContact O-N 2.75Å; K396-K398 HydrophobicContact CB-CG 4.13Å; K396-K398 PolarHBondContact O-N 3.48Å
399	L	97	Very high	94.2	Very high	29 Å²	29	43.5 Å²	43.5	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.7	174.1	178.5	61.3	0	0	0	109.8	F258 I268 K375 L376 I377 I401	F258-L399 HydrophobicContact CB-CD2 4.27Å; F258-L399 HydrophobicContact CD1-CD2 4.28Å; I268-L399 HydrophobicContact CD1-CB 4.15Å; I268-L399 HydrophobicContact CD1-CD2 4.31Å; I268-L399 HydrophobicContact CG2-CB 3.61Å; K375-L399 PolarHBondContact O-N 3.34Å; L376-L399 CarbonylContact C-O 3.44Å; L376-L399 WeakPolarHBondContact CA-O 3.24Å; L376-L399 HydrophobicContact CD1-CD2 4.08Å; L376-L399 HydrophobicContact CG-CD2 4.47Å; I377-L399 PolarHBondContact N-O 2.83Å; L399-I401 HydrophobicContact CG-CG1 4.29Å
400	V	96.7	Very high	94.1	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.5	171.9	-176.1	0	0	0	0	108.5	I377 E379 L393	I377-V400 HydrophobicContact CB-CG2 4.29Å; I377-V400 HydrophobicContact CD1-CG2 4.21Å; I377-V400 WeakPolarHBondContact O-CA 3.18Å; E379-V400 HydrophobicContact CG-CG1 4.12Å; L393-V400 HydrophobicContact CB-CG2 4.02Å; L393-V400 HydrophobicContact CD1-CG2 3.8Å
401	I	96.9	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.4	172.5	-52.8	177.2	0	0	0	107.6	I255 F258 L376 I377 E379 L399 Y405 L406	I255-I401 HydrophobicContact CG1-CD1 4.21Å; F258-I401 HydrophobicContact CB-CD1 3.8Å; F258-I401 HydrophobicContact CD2-CD1 3.68Å; F258-I401 HydrophobicContact CD2-CG1 4.08Å; F258-I401 HydrophobicContact CD2-CG2 4.11Å; F258-I401 HydrophobicContact CE2-CD1 4.49Å; F258-I401 HydrophobicContact CE2-CG2 3.93Å; F258-I401 HydrophobicContact CG-CD1 3.86Å; F258-I401 HydrophobicContact CG-CG1 4.25Å; L376-I401 HydrophobicContact CD1-CD1 4.02Å; L376-I401 HydrophobicContact CD2-CD1 4.01Å; L376-I401 HydrophobicContact CD2-CG1 4.43Å; L376-I401 HydrophobicContact CG-CD1 4.27Å; I377-I401 PolarHBondContact O-N 3.39Å; E379-I401 WeakPolarHBondContact CB-O 2.98Å; E379-I401 WeakPolarHBondContact CG-O 3.43Å; E379-I401 PolarHBondContact N-O 3.12Å; L399-I401 HydrophobicContact CG-CG1 4.29Å; I401-Y405 HydrophobicContact CG2-CD1 3.75Å; I401-Y405 HydrophobicContact CG2-CE1 4.21Å; I401-L406 HydrophobicContact CB-CD2 4.19Å; I401-L406 HydrophobicContact CG2-CB 4.1Å; I401-L406 HydrophobicContact CG2-CD1 3.95Å; I401-L406 HydrophobicContact CG2-CD2 4.23Å; I401-L406 HydrophobicContact CG2-CG 4.31Å
402	P	94.2	Very high	94.3	Very high	64 Å²	64	39.1 Å²	39.1	42%	0.416	20%	0.195	S	C	.	.			trans	-71.7	147	-165.7	28.7	-36	0	0	0	112.7	E379 L404 Y405 L406	E379-P402 WeakPolarHBondContact OE2-CA 3.41Å; P402-L404 PolarHBondContact O-N 3.23Å; P402-Y405 PolarHBondContact O-N 3.11Å; P402-Y405 VanDerWaalsContact O-N 3.09Å; P402-L406 WeakPolarHBondContact O-CB 3.39Å; P402-L406 PolarHBondContact O-N 2.94Å
403	D	89.8	Confident	94.4	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	20%	0.197	C	C	.	.	H	α-helix	trans	-51.5	-40.5	-179.8	66.4	-17.2	0	0	0	113.6	E379 A381 G383 Y405 L406 N407	E379-D403 HydrophobicContact CB-CB 3.85Å; E379-D403 PolarHBondContact OE2-N 3.37Å; A381-D403 VanDerWaalsContact O-CB 3.28Å; A381-D403 WeakPolarHBondContact O-CB 3.45Å; G383-D403 PolarHBondContact N-OD2 3.02Å; D403-Y405 PolarHBondContact O-N 3.14Å; D403-L406 PolarHBondContact O-N 2.91Å; D403-N407 PolarHBondContact O-N 3.43Å; D403-N407 VanDerWaalsContact O-N 3.16Å; D403-N407 PolarHBondContact O-ND2 3.35Å; D403-N407 PolarHBondContact O-OD1 2.88Å
404	L	90.9	Very high	94.4	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-34.5	-177.1	-168.6	160.4	0	0	0	111.7	K146 V149 P402	K146-L404 HydrophobicContact CB-CG 4.34Å; K146-L404 WeakPolarHBondContact CG-O 3.41Å; V149-L404 HydrophobicContact CB-CD2 3.44Å; V149-L404 VanDerWaalsContact CB-CD2 3.44Å; V149-L404 HydrophobicContact CG1-CD2 3.95Å; V149-L404 HydrophobicContact CG2-CD2 3.16Å; P402-L404 PolarHBondContact O-N 3.23Å
405	Y	96	Very high	94.6	Very high	77 Å²	77	36.6 Å²	36.6	30%	0.302	19%	0.187	S	C	.	.	H	α-helix	trans	-89.1	-50.3	172.8	168.5	-108.5	0	0	0	111.2	V149 F258 I401 P402 D403 N407 A408	V149-Y405 HydrophobicContact CG1-CD2 4.08Å; F258-Y405 HydrophobicContact CD2-CE1 4.27Å; F258-Y405 HydrophobicContact CE2-CD1 4.14Å; F258-Y405 AromaticContact CE2-CE1 3.7Å; F258-Y405 HydrophobicContact CE2-CE1 3.7Å; I401-Y405 HydrophobicContact CG2-CD1 3.75Å; I401-Y405 HydrophobicContact CG2-CE1 4.21Å; P402-Y405 PolarHBondContact O-N 3.11Å; P402-Y405 VanDerWaalsContact O-N 3.09Å; D403-Y405 PolarHBondContact O-N 3.14Å; Y405-N407 PolarHBondContact O-N 3.2Å; Y405-A408 VanDerWaalsContact O-CB 3.27Å; Y405-A408 WeakPolarHBondContact O-CB 3.4Å; Y405-A408 PolarHBondContact O-N 3.37Å
406	L	95.1	Very high	94.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-38.6	-160.2	-166.5	60.1	0	0	0	113.6	G250 V251 I255 E379 I401 P402 D403 A408	G250-L406 CarbonylContact C-O 3.53Å; V251-L406 HydrophobicContact CB-CG 4.25Å; V251-L406 HydrophobicContact CG1-CD1 4.41Å; V251-L406 HydrophobicContact CG1-CD2 3.99Å; V251-L406 HydrophobicContact CG1-CG 4.07Å; V251-L406 HydrophobicContact CG2-CG 4.13Å; V251-L406 PolarHBondContact N-O 3.22Å; V251-L406 WeakPolarHBondContact O-CD1 3.37Å; I255-L406 HydrophobicContact CG1-CD1 4.29Å; I255-L406 HydrophobicContact CG1-CD2 4.45Å; E379-L406 VanDerWaalsContact N-CD2 3.28Å; I401-L406 HydrophobicContact CB-CD2 4.19Å; I401-L406 HydrophobicContact CG2-CB 4.1Å; I401-L406 HydrophobicContact CG2-CD1 3.95Å; I401-L406 HydrophobicContact CG2-CD2 4.23Å; I401-L406 HydrophobicContact CG2-CG 4.31Å; P402-L406 WeakPolarHBondContact O-CB 3.39Å; P402-L406 PolarHBondContact O-N 2.94Å; D403-L406 PolarHBondContact O-N 2.91Å; L406-A408 VanDerWaalsContact C-N 3.33Å
407	N	90.6	Very high	94.8	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.053	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.6	-179.3	74.9	32.4	0	0	0	113.2	K146 T247 G380 A381 N382 D403 Y405 G409 G410	K146-N407 WeakPolarHBondContact CE-OD1 3.21Å; K146-N407 PolarHBondContact NZ-OD1 2.98Å; T247-N407 HydrophobicContact CG2-CB 3.87Å; G380-N407 WeakPolarHBondContact O-CB 3.47Å; G380-N407 PolarHBondContact O-ND2 2.68Å; A381-N407 PolarHBondContact O-ND2 2.98Å; N382-N407 PolarHBondContact OD1-ND2 2.72Å; N382-N407 VanDerWaalsContact OD1-ND2 3.17Å; D403-N407 PolarHBondContact O-N 3.43Å; D403-N407 VanDerWaalsContact O-N 3.16Å; D403-N407 PolarHBondContact O-ND2 3.35Å; D403-N407 PolarHBondContact O-OD1 2.88Å; Y405-N407 PolarHBondContact O-N 3.2Å; N407-G409 PolarHBondContact O-N 2.84Å; N407-G409 VanDerWaalsContact O-N 3.16Å; N407-G410 PolarHBondContact O-N 3.34Å
408	A	92.8	Very high	94.9	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.2	-179.2	0	0	0	0	0	114.1	K146 V150 Y405 L406 G410 V411 T412	K146-A408 HydrophobicContact CD-CB 4.29Å; K146-A408 HydrophobicContact CG-CB 3.83Å; V150-A408 HydrophobicContact CB-CB 4.34Å; V150-A408 HydrophobicContact CG1-CB 3.43Å; V150-A408 VanDerWaalsContact CG1-CB 3.43Å; V150-A408 HydrophobicContact CG2-CB 3.98Å; Y405-A408 VanDerWaalsContact O-CB 3.27Å; Y405-A408 WeakPolarHBondContact O-CB 3.4Å; Y405-A408 PolarHBondContact O-N 3.37Å; L406-A408 VanDerWaalsContact C-N 3.33Å; A408-G410 PolarHBondContact O-N 2.85Å; A408-V411 HydrophobicContact CB-CG1 4.22Å; A408-V411 WeakPolarHBondContact O-CG1 3.32Å; A408-V411 PolarHBondContact O-N 2.85Å; A408-V411 VanDerWaalsContact O-N 3.16Å; A408-T412 PolarHBondContact O-N 3.26Å; A408-T412 PolarHBondContact O-OG1 3.06Å
409	G	93	Very high	95	Very high	13 Å²	13	28.2 Å²	28.2	13%	0.134	15%	0.146	C	C	.	.	H	α-helix	trans	-55.5	-34.6	171.7	0	0	0	0	0	112.9	N407 T412 V413	N407-G409 PolarHBondContact O-N 2.84Å; N407-G409 VanDerWaalsContact O-N 3.16Å; G409-T412 PolarHBondContact O-N 2.61Å; G409-V413 PolarHBondContact O-N 3.48Å
410	G	91	Very high	95	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-42.4	177	0	0	0	0	0	113.4	R243 T247 N407 A408 S414	R243-G410 PolarHBondContact NE-O 3.13Å; T247-G410 WeakPolarHBondContact OG1-CA 3.08Å; N407-G410 PolarHBondContact O-N 3.34Å; A408-G410 PolarHBondContact O-N 2.85Å; G410-S414 WeakPolarHBondContact O-CB 3.35Å; G410-S414 PolarHBondContact O-N 2.94Å; G410-S414 VanDerWaalsContact O-N 3.13Å; G410-S414 PolarHBondContact O-OG 3.34Å
411	V	93.3	Very high	95	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-75.5	-34.9	177.8	69.5	0	0	0	0	111.7	K122 M143 K146 V150 V152 A408 S414 Y415	K122-V411 HydrophobicContact CG-CG2 4.14Å; M143-V411 HydrophobicContact CE-CB 4.2Å; M143-V411 HydrophobicContact CE-CG2 3.79Å; K146-V411 HydrophobicContact CD-CG1 4.32Å; K146-V411 HydrophobicContact CG-CG1 4.17Å; V150-V411 HydrophobicContact CG2-CG1 4.15Å; V152-V411 HydrophobicContact CG1-CG2 4.34Å; A408-V411 HydrophobicContact CB-CG1 4.22Å; A408-V411 WeakPolarHBondContact O-CG1 3.32Å; A408-V411 PolarHBondContact O-N 2.85Å; A408-V411 VanDerWaalsContact O-N 3.16Å; V411-S414 CarbonylContact O-C 3.38Å; V411-S414 WeakPolarHBondContact O-CB 3.18Å; V411-S414 PolarHBondContact O-N 3.03Å; V411-Y415 PolarHBondContact O-N 3.23Å
412	T	96.7	Very high	95	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.202	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-48	176.7	-55.2	0	0	0	0	111.5	A408 G409 S414 Y415 F416	A408-T412 PolarHBondContact O-N 3.26Å; A408-T412 PolarHBondContact O-OG1 3.06Å; G409-T412 PolarHBondContact O-N 2.61Å; T412-S414 VanDerWaalsContact C-N 3.31Å; T412-S414 PolarHBondContact O-N 3.49Å; T412-Y415 VanDerWaalsContact O-CB 3.32Å; T412-Y415 WeakPolarHBondContact O-CB 3.05Å; T412-Y415 PolarHBondContact O-N 3.24Å; T412-Y415 VanDerWaalsContact O-N 3.15Å; T412-F416 HydrophobicContact CG2-CE1 4.24Å; T412-F416 HydrophobicContact CG2-CE2 3.94Å; T412-F416 HydrophobicContact CG2-CZ 3.64Å; T412-F416 WeakPolarHBondContact O-CG 3.34Å; T412-F416 PolarHBondContact O-N 3.32Å; T412-F416 VanDerWaalsContact O-N 3.12Å
413	V	96.3	Very high	95.1	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-72.8	-27.4	176.9	178.7	0	0	0	0	112	I240 R243 A246 G409 Y415 F416 E417	I240-V413 HydrophobicContact CG2-CG1 3.54Å; R243-V413 HydrophobicContact CB-CG1 4.05Å; A246-V413 HydrophobicContact CB-CB 3.55Å; A246-V413 HydrophobicContact CB-CG1 4.05Å; A246-V413 HydrophobicContact CB-CG2 3.42Å; A246-V413 VanDerWaalsContact CB-CG2 3.42Å; G409-V413 PolarHBondContact O-N 3.48Å; V413-Y415 VanDerWaalsContact C-N 3.3Å; V413-Y415 PolarHBondContact O-N 3.36Å; V413-F416 HydrophobicContact CG2-CD2 4.24Å; V413-F416 PolarHBondContact O-N 3.33Å; V413-E417 PolarHBondContact O-N 3.43Å
414	S	96.1	Very high	95.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-36.2	169.4	-58.1	0	0	0	0	111.7	T231 R243 G410 V411 T412 E417 W418	T231-S414 VanDerWaalsContact CG2-O 3.27Å; T231-S414 WeakPolarHBondContact CG2-O 3.44Å; T231-S414 WeakPolarHBondContact OG1-CB 2.84Å; R243-S414 PolarHBondContact NE-OG 2.92Å; G410-S414 WeakPolarHBondContact O-CB 3.35Å; G410-S414 PolarHBondContact O-N 2.94Å; G410-S414 VanDerWaalsContact O-N 3.13Å; G410-S414 PolarHBondContact O-OG 3.34Å; V411-S414 CarbonylContact O-C 3.38Å; V411-S414 WeakPolarHBondContact O-CB 3.18Å; V411-S414 PolarHBondContact O-N 3.03Å; T412-S414 VanDerWaalsContact C-N 3.31Å; T412-S414 PolarHBondContact O-N 3.49Å; S414-E417 WeakPolarHBondContact O-CB 3.17Å; S414-E417 PolarHBondContact O-N 3.28Å; S414-W418 PolarHBondContact O-N 3.33Å
415	Y	97.6	Very high	95.3	Very high	56 Å²	56	38.5 Å²	38.5	22%	0.22	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-42.5	172.9	171.7	-127.3	0	0	0	111.5	V152 P153 F154 V411 T412 V413 E417 W418 L419	V152-Y415 HydrophobicContact CG1-CG 4.11Å; V152-Y415 HydrophobicContact CG2-CD1 4.43Å; P153-Y415 HydrophobicContact CG-CD2 4.42Å; P153-Y415 HydrophobicContact CG-CE2 3.69Å; F154-Y415 HydrophobicContact CE1-CD2 4.32Å; F154-Y415 AromaticContact CE2-CD2 3.85Å; F154-Y415 HydrophobicContact CE2-CD2 3.85Å; F154-Y415 HydrophobicContact CE2-CG 4.25Å; F154-Y415 AromaticContact CZ-CD2 3.57Å; F154-Y415 HydrophobicContact CZ-CD2 3.57Å; F154-Y415 HydrophobicContact CZ-CE2 4.39Å; F154-Y415 HydrophobicContact CZ-CG 4.4Å; V411-Y415 PolarHBondContact O-N 3.23Å; T412-Y415 VanDerWaalsContact O-CB 3.32Å; T412-Y415 WeakPolarHBondContact O-CB 3.05Å; T412-Y415 PolarHBondContact O-N 3.24Å; T412-Y415 VanDerWaalsContact O-N 3.15Å; V413-Y415 VanDerWaalsContact C-N 3.3Å; V413-Y415 PolarHBondContact O-N 3.36Å; Y415-E417 VanDerWaalsContact C-N 3.34Å; Y415-E417 PolarHBondContact O-N 3.46Å; Y415-W418 HydrophobicContact CD2-CE3 4.18Å; Y415-W418 HydrophobicContact CE2-CE3 4.13Å; Y415-W418 HydrophobicContact CE2-CZ3 4.29Å; Y415-W418 WeakPolarHBondContact O-CB 3.29Å; Y415-W418 PolarHBondContact O-N 3.38Å; Y415-L419 HydrophobicContact CD1-CD1 4.31Å; Y415-L419 HydrophobicContact CD2-CD1 4.38Å; Y415-L419 HydrophobicContact CD2-CG 4.14Å; Y415-L419 HydrophobicContact CE1-CD1 3.78Å; Y415-L419 HydrophobicContact CE2-CD1 3.86Å; Y415-L419 HydrophobicContact CE2-CD2 3.9Å; Y415-L419 HydrophobicContact CE2-CG 3.71Å; Y415-L419 WeakPolarHBondContact O-CG 3.35Å; Y415-L419 PolarHBondContact O-N 3.15Å
416	F	97.4	Very high	95.1	Very high	97 Å²	97	37.9 Å²	37.9	43%	0.425	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-38.8	174	-56.8	-23.5	0	0	0	112.7	I240 T412 V413 W418 L419 K420	I240-F416 HydrophobicContact CD1-CB 3.59Å; T412-F416 HydrophobicContact CG2-CE1 4.24Å; T412-F416 HydrophobicContact CG2-CE2 3.94Å; T412-F416 HydrophobicContact CG2-CZ 3.64Å; T412-F416 WeakPolarHBondContact O-CG 3.34Å; T412-F416 PolarHBondContact O-N 3.32Å; T412-F416 VanDerWaalsContact O-N 3.12Å; V413-F416 HydrophobicContact CG2-CD2 4.24Å; V413-F416 PolarHBondContact O-N 3.33Å; F416-W418 VanDerWaalsContact C-N 3.35Å; F416-L419 PolarHBondContact O-N 3.02Å; F416-K420 WeakPolarHBondContact O-CB 3.39Å; F416-K420 PolarHBondContact O-N 3.11Å
417	E	97.7	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-46.2	173.2	-170.4	178.6	145.5	0	0	111.6	T231 G232 K233 I240 V413 S414 Y415 K420 N421	T231-E417 VanDerWaalsContact CA-OE1 3.25Å; T231-E417 WeakPolarHBondContact CA-OE1 3.35Å; T231-E417 HydrophobicContact CG2-CB 4.31Å; G232-E417 WeakPolarHBondContact CA-OE2 3.45Å; G232-E417 PolarHBondContact N-OE1 3.25Å; G232-E417 PolarHBondContact N-OE2 2.93Å; K233-E417 PolarHBondContact N-OE1 3.16Å; K233-E417 VanDerWaalsContact N-OE1 3.07Å; K233-E417 IonicContact NZ-OE1 3.39Å; K233-E417 PolarHBondContact NZ-OE1 3.09Å; I240-E417 HydrophobicContact CB-CB 3.9Å; I240-E417 HydrophobicContact CB-CG 4.08Å; I240-E417 HydrophobicContact CG2-CB 3.64Å; I240-E417 HydrophobicContact CG2-CG 4.13Å; V413-E417 PolarHBondContact O-N 3.43Å; S414-E417 WeakPolarHBondContact O-CB 3.17Å; S414-E417 PolarHBondContact O-N 3.28Å; Y415-E417 VanDerWaalsContact C-N 3.34Å; Y415-E417 PolarHBondContact O-N 3.46Å; E417-K420 WeakPolarHBondContact O-CB 3.45Å; E417-K420 PolarHBondContact O-N 3.18Å; E417-N421 PolarHBondContact O-N 2.87Å; E417-N421 PolarHBondContact O-OD1 3.48Å
418	W	98	Very high	94.8	Very high	35 Å²	35	47.5 Å²	47.5	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-48.3	177.6	-175.6	78.2	0	0	0	111.1	P120 F154 P192 T231 S414 Y415 F416 K420 N421 L422	P120-W418 HydrophobicContact CG-CZ2 3.8Å; F154-W418 HydrophobicContact CE1-CD2 4.15Å; F154-W418 HydrophobicContact CE1-CE3 4.03Å; F154-W418 HydrophobicContact CE1-CH2 4.47Å; F154-W418 HydrophobicContact CE1-CZ3 4.2Å; F154-W418 HydrophobicContact CZ-CB 4.31Å; F154-W418 AromaticContact CZ-CD2 3.98Å; F154-W418 HydrophobicContact CZ-CD2 3.98Å; F154-W418 AromaticContact CZ-CE3 3.92Å; F154-W418 HydrophobicContact CZ-CE3 3.92Å; F154-W418 HydrophobicContact CZ-CG 4.17Å; P192-W418 WeakPolarHBondContact O-CZ2 3.14Å; P192-W418 PolarHBondContact O-NE1 3.3Å; P192-W418 VanDerWaalsContact O-NE1 3.15Å; T231-W418 HydrophobicContact CG2-CB 4.09Å; S414-W418 PolarHBondContact O-N 3.33Å; Y415-W418 HydrophobicContact CD2-CE3 4.18Å; Y415-W418 HydrophobicContact CE2-CE3 4.13Å; Y415-W418 HydrophobicContact CE2-CZ3 4.29Å; Y415-W418 WeakPolarHBondContact O-CB 3.29Å; Y415-W418 PolarHBondContact O-N 3.38Å; F416-W418 VanDerWaalsContact C-N 3.35Å; W418-K420 VanDerWaalsContact C-N 3.33Å; W418-K420 PolarHBondContact O-N 3.08Å; W418-N421 PolarHBondContact O-N 2.84Å; W418-N421 VanDerWaalsContact O-N 3.11Å; W418-L422 HydrophobicContact CD2-CD1 3.92Å; W418-L422 HydrophobicContact CD2-CG 4.3Å; W418-L422 HydrophobicContact CE3-CD1 3.73Å; W418-L422 HydrophobicContact CE3-CG 4.49Å; W418-L422 HydrophobicContact CH2-CD1 3.43Å; W418-L422 VanDerWaalsContact CH2-CD1 3.43Å; W418-L422 HydrophobicContact CZ2-CD1 3.61Å; W418-L422 HydrophobicContact CZ2-CG 4.41Å; W418-L422 HydrophobicContact CZ3-CD1 3.48Å; W418-L422 VanDerWaalsContact CZ3-CD1 3.48Å; W418-L422 WeakPolarHBondContact O-CG 3.41Å; W418-L422 PolarHBondContact O-N 3.17Å
419	L	97.5	Very high	94.8	Very high	54 Å²	54	56.4 Å²	56.4	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-43	174.6	-71.9	177.2	0	0	0	112.4	Y415 F416 N421 L422 N423	Y415-L419 HydrophobicContact CD1-CD1 4.31Å; Y415-L419 HydrophobicContact CD2-CD1 4.38Å; Y415-L419 HydrophobicContact CD2-CG 4.14Å; Y415-L419 HydrophobicContact CE1-CD1 3.78Å; Y415-L419 HydrophobicContact CE2-CD1 3.86Å; Y415-L419 HydrophobicContact CE2-CD2 3.9Å; Y415-L419 HydrophobicContact CE2-CG 3.71Å; Y415-L419 WeakPolarHBondContact O-CG 3.35Å; Y415-L419 PolarHBondContact O-N 3.15Å; F416-L419 PolarHBondContact O-N 3.02Å; L419-N421 VanDerWaalsContact C-N 3.29Å; L419-N421 PolarHBondContact O-N 2.93Å; L419-L422 PolarHBondContact O-N 3.26Å; L419-L422 VanDerWaalsContact O-N 3.17Å; L419-N423 PolarHBondContact O-N 3.47Å; L419-N423 PolarHBondContact O-ND2 2.84Å
420	K	96.8	Very high	94.8	Very high	61 Å²	61	62.7 Å²	62.7	27%	0.265	30%	0.302	S	S	.	.	H	α-helix	trans	-57.1	-44.3	175.6	177	-169.9	169.4	-173.2	0	111	G239 I240 F416 E417 W418 L422 N423 H424	G239-K420 PolarHBondContact O-NZ 3.05Å; I240-K420 HydrophobicContact CG1-CD 4.42Å; F416-K420 WeakPolarHBondContact O-CB 3.39Å; F416-K420 PolarHBondContact O-N 3.11Å; E417-K420 WeakPolarHBondContact O-CB 3.45Å; E417-K420 PolarHBondContact O-N 3.18Å; W418-K420 VanDerWaalsContact C-N 3.33Å; W418-K420 PolarHBondContact O-N 3.08Å; K420-L422 VanDerWaalsContact C-N 3.32Å; K420-L422 PolarHBondContact O-N 3.29Å; K420-N423 PolarHBondContact O-N 2.9Å; K420-H424 PolarHBondContact O-N 3.47Å
421	N	97	Very high	94.9	Very high	16 Å²	16	65 Å²	65	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-70.3	-27.5	179.2	-60.6	144.5	0	0	0	113.2	A228 K233 G238 E417 W418 L419 H424	A228-N421 HydrophobicContact CB-CB 3.69Å; K233-N421 PolarHBondContact NZ-OD1 2.79Å; G238-N421 PolarHBondContact O-ND2 3.04Å; E417-N421 PolarHBondContact O-N 2.87Å; E417-N421 PolarHBondContact O-OD1 3.48Å; W418-N421 PolarHBondContact O-N 2.84Å; W418-N421 VanDerWaalsContact O-N 3.11Å; L419-N421 VanDerWaalsContact C-N 3.29Å; L419-N421 PolarHBondContact O-N 2.93Å; N421-H424 PolarHBondContact O-CE1 3.45Å; N421-H424 PolarHBondContact O-ND1 3.03Å
422	L	97.1	Very high	94.9	Very high	45 Å²	45	69 Å²	69	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-74.7	-35.5	172.4	-64.4	-174.4	0	0	0	113	H225 A228 W418 L419 K420 H424	H225-L422 HydrophobicContact CB-CD2 3.8Å; H225-L422 PolarHBondContact CE1-O 3.48Å; H225-L422 WeakPolarHBondContact ND1-CD2 3.47Å; A228-L422 HydrophobicContact CB-CD2 3.95Å; W418-L422 HydrophobicContact CD2-CD1 3.92Å; W418-L422 HydrophobicContact CD2-CG 4.3Å; W418-L422 HydrophobicContact CE3-CD1 3.73Å; W418-L422 HydrophobicContact CE3-CG 4.49Å; W418-L422 HydrophobicContact CH2-CD1 3.43Å; W418-L422 VanDerWaalsContact CH2-CD1 3.43Å; W418-L422 HydrophobicContact CZ2-CD1 3.61Å; W418-L422 HydrophobicContact CZ2-CG 4.41Å; W418-L422 HydrophobicContact CZ3-CD1 3.48Å; W418-L422 VanDerWaalsContact CZ3-CD1 3.48Å; W418-L422 WeakPolarHBondContact O-CG 3.41Å; W418-L422 PolarHBondContact O-N 3.17Å; L419-L422 PolarHBondContact O-N 3.26Å; L419-L422 VanDerWaalsContact O-N 3.17Å; K420-L422 VanDerWaalsContact C-N 3.32Å; K420-L422 PolarHBondContact O-N 3.29Å; L422-H424 PolarHBondContact O-CD2 3.4Å
423	N	96.4	Very high	94.7	Very high	105 Å²	105	74.9 Å²	74.9	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-77.1	-23.1	-177.3	-81.4	-84.6	0	0	0	113	L419 K420 V425	L419-N423 PolarHBondContact O-N 3.47Å; L419-N423 PolarHBondContact O-ND2 2.84Å; K420-N423 PolarHBondContact O-N 2.9Å; N423-V425 HydrophobicContact CB-CG1 3.9Å; N423-V425 WeakPolarHBondContact O-CG1 3.48Å; N423-V425 PolarHBondContact O-N 3.27Å; N423-V425 VanDerWaalsContact O-N 3.11Å
424	H	93.7	Very high	94.6	Very high	108 Å²	108	81.8 Å²	81.8	50%	0.5	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	19.1	-178.2	-57.7	-69.1	0	0	0	114.8	M224 H225 K420 N421 L422	M224-H424 PolarHBondContact O-CE1 2.8Å; H225-H424 AromaticContact CE1-NE2 3.49Å; H225-H424 PolarHBondContact CE1-NE2 2.66Å; H225-H424 AromaticContact ND1-CE1 3.94Å; H225-H424 AromaticContact ND1-NE2 3.21Å; H225-H424 PolarHBondContact ND1-NE2 3.28Å; K420-H424 PolarHBondContact O-N 3.47Å; N421-H424 PolarHBondContact O-CE1 3.45Å; N421-H424 PolarHBondContact O-ND1 3.03Å; L422-H424 PolarHBondContact O-CD2 3.4Å
425	V	92.1	Very high	94.6	Very high	53 Å²	53	84.9 Å²	84.9	32%	0.321	39%	0.393	S	S	.	.	S	Bend	trans	-134.4	137.8	178.9	46.9	0	0	0	0	110.6	N423 Y427 R429 L430	N423-V425 HydrophobicContact CB-CG1 3.9Å; N423-V425 WeakPolarHBondContact O-CG1 3.48Å; N423-V425 PolarHBondContact O-N 3.27Å; N423-V425 VanDerWaalsContact O-N 3.11Å; V425-Y427 PolarHBondContact O-N 3.33Å; V425-R429 HydrophobicContact CG2-CB 4.39Å; V425-L430 HydrophobicContact CG2-CD1 4.18Å; V425-L430 HydrophobicContact CG2-CG 4.11Å
426	S	90.4	Very high	94.5	Very high	64 Å²	64	87.9 Å²	87.9	45%	0.448	40%	0.404	S	S	.	.			trans	-67.8	126.8	167.4	-61.6	0	0	0	0	109.6	G428 R429	S426-G428 PolarHBondContact O-N 3.43Å; S426-R429 WeakPolarHBondContact O-CB 3.26Å; S426-R429 PolarHBondContact O-N 3.43Å; S426-R429 VanDerWaalsContact O-N 3.09Å
427	Y	90.4	Very high	94.4	Very high	202 Å²	202	86.7 Å²	86.7	79%	0.792	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	135.7	-177.8	-161.3	-90.5	0	0	0	111.8	V425 R429 V472	V425-Y427 PolarHBondContact O-N 3.33Å; Y427-R429 PolarHBondContact O-N 2.91Å; Y427-V472 HydrophobicContact CE1-CG1 4.16Å
428	G	90.6	Very high	94.4	Very high	11 Å²	11	88.9 Å²	88.9	11%	0.113	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-16.2	-178.8	0	0	0	0	0	116.2	S426 L430 T431 F432	S426-G428 PolarHBondContact O-N 3.43Å; G428-L430 PolarHBondContact O-N 2.61Å; G428-T431 PolarHBondContact O-N 3.37Å; G428-F432 VanDerWaalsContact C-CD1 3.47Å; G428-F432 WeakPolarHBondContact O-CD1 3.37Å; G428-F432 WeakPolarHBondContact O-CD2 3.4Å; G428-F432 WeakPolarHBondContact O-CG 3.4Å; G428-F432 PolarHBondContact O-N 3.47Å
429	R	91.5	Very high	94.3	Very high	187 Å²	187	89 Å²	89	71%	0.706	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.5	-176.9	-179	177.4	179.3	176.5	0.7	114	V425 S426 Y427	V425-R429 HydrophobicContact CG2-CB 4.39Å; S426-R429 WeakPolarHBondContact O-CB 3.26Å; S426-R429 PolarHBondContact O-N 3.43Å; S426-R429 VanDerWaalsContact O-N 3.09Å; Y427-R429 PolarHBondContact O-N 2.91Å
430	L	92.7	Very high	94.3	Very high	145 Å²	145	90.1 Å²	90.1	76%	0.759	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-18	-178.2	-60.6	177.9	0	0	0	113.3	V425 G428	V425-L430 HydrophobicContact CG2-CD1 4.18Å; V425-L430 HydrophobicContact CG2-CG 4.11Å; G428-L430 PolarHBondContact O-N 2.61Å
431	T	93.9	Very high	94.3	Very high	54 Å²	54	93.4 Å²	93.4	33%	0.331	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-17.7	-169.7	64.2	0	0	0	0	114.2	G428 K433 Y434 E435	G428-T431 PolarHBondContact O-N 3.37Å; T431-K433 PolarHBondContact O-N 2.92Å; T431-K433 VanDerWaalsContact O-N 3.16Å; T431-Y434 WeakPolarHBondContact O-CA 3.47Å; T431-Y434 WeakPolarHBondContact O-CB 3.44Å; T431-Y434 PolarHBondContact O-N 2.83Å; T431-E435 VanDerWaalsContact CB-OE1 3.3Å; T431-E435 WeakPolarHBondContact CB-OE1 3.43Å; T431-E435 PolarHBondContact O-N 2.85Å; T431-E435 PolarHBondContact OG1-OE1 2.89Å
432	F	92.3	Very high	94.3	Very high	94 Å²	94	97.5 Å²	97.5	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-46.5	-52	-174.6	-70.9	-25	0	0	0	114.4	G428 R436 A471 V472	G428-F432 VanDerWaalsContact C-CD1 3.47Å; G428-F432 WeakPolarHBondContact O-CD1 3.37Å; G428-F432 WeakPolarHBondContact O-CD2 3.4Å; G428-F432 WeakPolarHBondContact O-CG 3.4Å; G428-F432 PolarHBondContact O-N 3.47Å; F432-R436 VanDerWaalsContact O-CB 3.31Å; F432-R436 WeakPolarHBondContact O-CB 3.47Å; F432-R436 PolarHBondContact O-N 3.25Å; F432-A471 HydrophobicContact CB-CB 4.44Å; F432-A471 WeakPolarHBondContact CD1-O 3.47Å; F432-A471 WeakPolarHBondContact O-CB 3.4Å; F432-V472 HydrophobicContact CD1-CB 4.13Å; F432-V472 HydrophobicContact CD1-CG2 4.24Å; F432-V472 HydrophobicContact CE1-CB 4.04Å
433	K	93	Very high	94.3	Very high	158 Å²	158	96.5 Å²	96.5	69%	0.687	45%	0.454	S	S	*	.	H	α-helix	trans	-67.5	-44.3	179.4	-177.6	176	178.2	179.6	0	111.7	T431 R436 D437	T431-K433 PolarHBondContact O-N 2.92Å; T431-K433 VanDerWaalsContact O-N 3.16Å; K433-R436 PolarHBondContact O-N 3.08Å; K433-D437 WeakPolarHBondContact CE-OD2 3.38Å; K433-D437 WeakPolarHBondContact O-CB 3.33Å; K433-D437 VanDerWaalsContact O-CG 3.25Å; K433-D437 PolarHBondContact O-N 3.36Å
434	Y	95	Very high	94.4	Very high	171 Å²	171	94.9 Å²	94.9	67%	0.671	45%	0.446	S	S	*	.	H	α-helix	trans	-61.4	-46.5	-179.5	178.1	-92.8	0	0	0	111.5	T431 D437 S438	T431-Y434 WeakPolarHBondContact O-CA 3.47Å; T431-Y434 WeakPolarHBondContact O-CB 3.44Å; T431-Y434 PolarHBondContact O-N 2.83Å; Y434-D437 PolarHBondContact O-N 2.91Å; Y434-S438 WeakPolarHBondContact O-CB 3.29Å; Y434-S438 PolarHBondContact O-N 3.1Å
435	E	95	Very high	94.6	Very high	67 Å²	67	93 Å²	93	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-40.7	178.6	-73.1	-172	-134	0	0	112	T431 S438 N439 V472	T431-E435 VanDerWaalsContact CB-OE1 3.3Å; T431-E435 WeakPolarHBondContact CB-OE1 3.43Å; T431-E435 PolarHBondContact O-N 2.85Å; T431-E435 PolarHBondContact OG1-OE1 2.89Å; E435-S438 PolarHBondContact O-N 3.15Å; E435-N439 VanDerWaalsContact O-CB 3.29Å; E435-N439 WeakPolarHBondContact O-CB 3.39Å; E435-N439 PolarHBondContact O-N 2.83Å; E435-N439 PolarHBondContact O-ND2 2.98Å; E435-N439 VanDerWaalsContact O-ND2 3.14Å; E435-V472 HydrophobicContact CB-CG2 4.43Å; E435-V472 HydrophobicContact CG-CG2 4.29Å; E435-V472 WeakPolarHBondContact OE1-CG2 3.47Å; E435-V472 WeakPolarHBondContact OE2-CG2 3.32Å
436	R	95.1	Very high	94.8	Very high	119 Å²	119	93.5 Å²	93.5	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-57.3	-53.7	172.8	-177.6	177.9	175.8	174.4	3.1	111.4	F432 K433 S438 N439 Y440 I470 A471	F432-R436 VanDerWaalsContact O-CB 3.31Å; F432-R436 WeakPolarHBondContact O-CB 3.47Å; F432-R436 PolarHBondContact O-N 3.25Å; K433-R436 PolarHBondContact O-N 3.08Å; R436-S438 VanDerWaalsContact C-N 3.33Å; R436-S438 PolarHBondContact O-N 2.87Å; R436-N439 PolarHBondContact O-N 3.47Å; R436-Y440 HydrophobicContact CG-CD2 3.8Å; R436-Y440 HydrophobicContact CG-CE2 3.63Å; R436-Y440 WeakPolarHBondContact O-CD2 3.21Å; R436-Y440 PolarHBondContact O-N 2.8Å; R436-I470 VanDerWaalsContact CA-O 3.29Å; R436-I470 WeakPolarHBondContact CA-O 3.35Å; R436-I470 HydrophobicContact CG-CG2 4.25Å; R436-I470 PolarHBondContact N-O 3.34Å; R436-A471 HydrophobicContact CB-CB 4.01Å
437	D	96.5	Very high	95.2	Very high	72 Å²	72	92.2 Å²	92.2	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-41	-177.8	-67.1	-12.5	0	0	0	110.7	K433 Y434 Y440 Q441	K433-D437 WeakPolarHBondContact CE-OD2 3.38Å; K433-D437 WeakPolarHBondContact O-CB 3.33Å; K433-D437 VanDerWaalsContact O-CG 3.25Å; K433-D437 PolarHBondContact O-N 3.36Å; Y434-D437 PolarHBondContact O-N 2.91Å; D437-Y440 PolarHBondContact O-N 2.92Å; D437-Q441 WeakPolarHBondContact O-CB 3.48Å; D437-Q441 WeakPolarHBondContact O-CG 3.39Å; D437-Q441 PolarHBondContact O-N 3.09Å
438	S	96.7	Very high	95.5	Very high	46 Å²	46	87.7 Å²	87.7	32%	0.322	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.3	-174.7	0	0	0	0	112.1	Y434 E435 R436 Q441 L442	Y434-S438 WeakPolarHBondContact O-CB 3.29Å; Y434-S438 PolarHBondContact O-N 3.1Å; E435-S438 PolarHBondContact O-N 3.15Å; R436-S438 VanDerWaalsContact C-N 3.33Å; R436-S438 PolarHBondContact O-N 2.87Å; S438-Q441 PolarHBondContact O-N 3.11Å; S438-L442 WeakPolarHBondContact O-CB 3.5Å; S438-L442 PolarHBondContact O-N 3.49Å
439	N	96.8	Very high	95.8	Very high	36 Å²	36	91 Å²	91	19%	0.193	44%	0.442	C	S	.	.	H	α-helix	trans	-66.1	-42.3	177.7	-76.4	-31.9	0	0	0	111.3	E435 R436 Q441 L442 L443 F466 I470	E435-N439 VanDerWaalsContact O-CB 3.29Å; E435-N439 WeakPolarHBondContact O-CB 3.39Å; E435-N439 PolarHBondContact O-N 2.83Å; E435-N439 PolarHBondContact O-ND2 2.98Å; E435-N439 VanDerWaalsContact O-ND2 3.14Å; R436-N439 PolarHBondContact O-N 3.47Å; N439-Q441 PolarHBondContact O-N 3.23Å; N439-L442 WeakPolarHBondContact O-CB 3.48Å; N439-L442 PolarHBondContact O-N 3.04Å; N439-L443 WeakPolarHBondContact O-CG 3.47Å; N439-L443 PolarHBondContact O-N 3.4Å; N439-F466 HydrophobicContact CB-CZ 4.22Å; N439-I470 HydrophobicContact CB-CD1 4.48Å; N439-I470 HydrophobicContact CB-CG1 3.91Å; N439-I470 PolarHBondContact ND2-O 2.77Å
440	Y	97	Very high	96	Very high	78 Å²	78	84.9 Å²	84.9	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-37.4	173.7	-78.8	-65.8	0	0	0	112.5	R436 D437 L442 L443 N444 P462 Q467 I470	R436-Y440 HydrophobicContact CG-CD2 3.8Å; R436-Y440 HydrophobicContact CG-CE2 3.63Å; R436-Y440 WeakPolarHBondContact O-CD2 3.21Å; R436-Y440 PolarHBondContact O-N 2.8Å; D437-Y440 PolarHBondContact O-N 2.92Å; Y440-L442 VanDerWaalsContact C-N 3.33Å; Y440-L443 PolarHBondContact O-N 2.83Å; Y440-N444 VanDerWaalsContact O-CB 3.26Å; Y440-N444 WeakPolarHBondContact O-CB 3.45Å; Y440-N444 PolarHBondContact O-N 2.86Å; Y440-P462 HydrophobicContact CE1-CG 4.27Å; Y440-Q467 PolarHBondContact OH-NE2 3.02Å; Y440-Q467 VanDerWaalsContact OH-NE2 3.12Å; Y440-Q467 PolarHBondContact OH-OE1 2.84Å; Y440-Q467 VanDerWaalsContact OH-OE1 3.05Å; Y440-I470 HydrophobicContact CD1-CD1 4.4Å; Y440-I470 HydrophobicContact CD2-CD1 4.24Å; Y440-I470 HydrophobicContact CE1-CD1 3.9Å; Y440-I470 HydrophobicContact CE2-CD1 3.71Å; Y440-I470 HydrophobicContact CE2-CG1 4.11Å
441	Q	97.4	Very high	96.2	Very high	131 Å²	131	80.4 Å²	80.4	61%	0.612	40%	0.398	S	S	*	.	H	α-helix	trans	-65	-37	173.3	-75.7	-179.3	8.2	0	0	112.2	D437 S438 N439 N444 S445	D437-Q441 WeakPolarHBondContact O-CB 3.48Å; D437-Q441 WeakPolarHBondContact O-CG 3.39Å; D437-Q441 PolarHBondContact O-N 3.09Å; S438-Q441 PolarHBondContact O-N 3.11Å; N439-Q441 PolarHBondContact O-N 3.23Å; Q441-N444 PolarHBondContact O-N 3.49Å; Q441-S445 WeakPolarHBondContact O-CB 3.41Å; Q441-S445 PolarHBondContact O-N 2.89Å; Q441-S445 PolarHBondContact O-OG 3.01Å
442	L	97.5	Very high	96.3	Very high	102 Å²	102	87 Å²	87	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-50.4	174.7	-170.4	160.9	0	0	0	110.6	S438 N439 Y440 N444 S445 V446	S438-L442 WeakPolarHBondContact O-CB 3.5Å; S438-L442 PolarHBondContact O-N 3.49Å; N439-L442 WeakPolarHBondContact O-CB 3.48Å; N439-L442 PolarHBondContact O-N 3.04Å; Y440-L442 VanDerWaalsContact C-N 3.33Å; L442-N444 VanDerWaalsContact C-N 3.31Å; L442-N444 PolarHBondContact O-N 3.12Å; L442-S445 WeakPolarHBondContact O-CB 3.42Å; L442-S445 PolarHBondContact O-N 3.33Å; L442-S445 VanDerWaalsContact O-N 3.15Å; L442-V446 HydrophobicContact CD2-CG2 4.38Å; L442-V446 PolarHBondContact O-N 3.37Å; L442-V446 VanDerWaalsContact O-N 3.1Å
443	L	97.3	Very high	96.4	Very high	24 Å²	24	90.3 Å²	90.3	13%	0.126	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-42.9	176.1	-64	176.8	0	0	0	111.6	N439 Y440 S445 V446 Q447 I460 P462 F466	N439-L443 WeakPolarHBondContact O-CG 3.47Å; N439-L443 PolarHBondContact O-N 3.4Å; Y440-L443 PolarHBondContact O-N 2.83Å; L443-S445 VanDerWaalsContact C-N 3.33Å; L443-S445 PolarHBondContact O-N 3.33Å; L443-V446 PolarHBondContact O-N 2.91Å; L443-Q447 PolarHBondContact O-N 3.48Å; L443-I460 HydrophobicContact CB-CG2 4.23Å; L443-I460 HydrophobicContact CD2-CG2 3.91Å; L443-P462 HydrophobicContact CD1-CB 4.19Å; L443-P462 HydrophobicContact CD1-CG 4.35Å; L443-F466 HydrophobicContact CD1-CE1 4.28Å
444	N	97	Very high	96.6	Very high	71 Å²	71	88.6 Å²	88.6	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-35.8	177.1	-172.4	36.6	0	0	0	112.1	Y440 Q441 L442 V446 Q447 Q448	Y440-N444 VanDerWaalsContact O-CB 3.26Å; Y440-N444 WeakPolarHBondContact O-CB 3.45Å; Y440-N444 PolarHBondContact O-N 2.86Å; Q441-N444 PolarHBondContact O-N 3.49Å; L442-N444 VanDerWaalsContact C-N 3.31Å; L442-N444 PolarHBondContact O-N 3.12Å; N444-V446 VanDerWaalsContact C-N 3.35Å; N444-Q447 PolarHBondContact O-N 2.79Å; N444-Q448 PolarHBondContact ND2-NE2 3.49Å; N444-Q448 WeakPolarHBondContact O-CB 3.43Å; N444-Q448 VanDerWaalsContact O-CG 3.32Å; N444-Q448 WeakPolarHBondContact O-CG 3.42Å; N444-Q448 PolarHBondContact O-N 3.27Å
445	S	97.8	Very high	96.2	Very high	67 Å²	67	84.9 Å²	84.9	47%	0.469	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.6	-60.9	0	0	0	0	111.8	Q441 L442 L443 S449	Q441-S445 WeakPolarHBondContact O-CB 3.41Å; Q441-S445 PolarHBondContact O-N 2.89Å; Q441-S445 PolarHBondContact O-OG 3.01Å; L442-S445 WeakPolarHBondContact O-CB 3.42Å; L442-S445 PolarHBondContact O-N 3.33Å; L442-S445 VanDerWaalsContact O-N 3.15Å; L443-S445 VanDerWaalsContact C-N 3.33Å; L443-S445 PolarHBondContact O-N 3.33Å; S445-S449 WeakPolarHBondContact O-CB 3.5Å; S445-S449 PolarHBondContact O-N 3.16Å; S445-S449 VanDerWaalsContact O-N 3.09Å; S445-S449 PolarHBondContact O-OG 3.36Å
446	V	97.7	Very high	96	Very high	65 Å²	65	87.2 Å²	87.2	39%	0.394	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-47.8	172.9	177.2	0	0	0	0	110.4	L442 L443 N444 Q448 S449 L450 I460	L442-V446 HydrophobicContact CD2-CG2 4.38Å; L442-V446 PolarHBondContact O-N 3.37Å; L442-V446 VanDerWaalsContact O-N 3.1Å; L443-V446 PolarHBondContact O-N 2.91Å; N444-V446 VanDerWaalsContact C-N 3.35Å; V446-Q448 PolarHBondContact O-N 2.88Å; V446-S449 PolarHBondContact O-N 3.01Å; V446-L450 HydrophobicContact CG1-CD1 4.02Å; V446-L450 WeakPolarHBondContact O-CG 3.25Å; V446-L450 PolarHBondContact O-N 3.38Å; V446-I460 HydrophobicContact CG1-CG1 4.26Å
447	Q	97.2	Very high	95.9	Very high	36 Å²	36	91.9 Å²	91.9	17%	0.168	47%	0.466	C	S	.	.	H	α-helix	trans	-53.8	-56.5	175.9	169.2	163.5	-13.1	0	0	111.1	L443 N444 S449 L450 E451 I458 I460	L443-Q447 PolarHBondContact O-N 3.48Å; N444-Q447 PolarHBondContact O-N 2.79Å; Q447-S449 PolarHBondContact O-N 2.9Å; Q447-L450 PolarHBondContact O-N 2.74Å; Q447-E451 HydrophobicContact CG-CG 4.04Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.42Å; Q447-E451 PolarHBondContact NE2-OE1 3.45Å; Q447-E451 VanDerWaalsContact O-CG 3.29Å; Q447-E451 WeakPolarHBondContact O-CG 3.42Å; Q447-E451 PolarHBondContact O-N 2.86Å; Q447-I458 WeakPolarHBondContact CG-O 3.41Å; Q447-I460 HydrophobicContact CB-CB 4.05Å; Q447-I460 HydrophobicContact CB-CG1 3.77Å; Q447-I460 VanDerWaalsContact OE1-N 3.16Å
448	Q	96.6	Very high	95.8	Very high	108 Å²	108	90.8 Å²	90.8	51%	0.505	46%	0.46	S	S	.	.	H	α-helix	trans	-58.4	-36.5	-179.5	-72.5	179	6.2	0	0	112.6	N444 V446 K452	N444-Q448 PolarHBondContact ND2-NE2 3.49Å; N444-Q448 WeakPolarHBondContact O-CB 3.43Å; N444-Q448 VanDerWaalsContact O-CG 3.32Å; N444-Q448 WeakPolarHBondContact O-CG 3.42Å; N444-Q448 PolarHBondContact O-N 3.27Å; V446-Q448 PolarHBondContact O-N 2.88Å; Q448-K452 WeakPolarHBondContact O-CB 3.3Å; Q448-K452 PolarHBondContact O-N 3.49Å
449	S	97	Very high	95.7	Very high	81 Å²	81	92.6 Å²	92.6	57%	0.566	47%	0.471	S	S	*	.	H	α-helix	trans	-66.1	-40.2	177.6	-61.9	0	0	0	0	112.2	S445 V446 Q447 K453	S445-S449 WeakPolarHBondContact O-CB 3.5Å; S445-S449 PolarHBondContact O-N 3.16Å; S445-S449 VanDerWaalsContact O-N 3.09Å; S445-S449 PolarHBondContact O-OG 3.36Å; V446-S449 PolarHBondContact O-N 3.01Å; Q447-S449 PolarHBondContact O-N 2.9Å; S449-K453 PolarHBondContact O-N 3.39Å
450	L	97.4	Very high	95.7	Very high	58 Å²	58	93.3 Å²	93.3	30%	0.304	47%	0.474	S	S	.	.	H	α-helix	trans	-71.8	-47.3	176.4	-66.2	171.5	0	0	0	111.2	V446 Q447 K452 K453 F454 I458 I460	V446-L450 HydrophobicContact CG1-CD1 4.02Å; V446-L450 WeakPolarHBondContact O-CG 3.25Å; V446-L450 PolarHBondContact O-N 3.38Å; Q447-L450 PolarHBondContact O-N 2.74Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 2.81Å; L450-K453 PolarHBondContact O-N 2.89Å; L450-F454 HydrophobicContact CB-CD2 4.34Å; L450-F454 HydrophobicContact CD2-CD2 4.38Å; L450-F454 HydrophobicContact CD2-CE2 3.86Å; L450-F454 VanDerWaalsContact O-CD2 3.25Å; L450-F454 WeakPolarHBondContact O-CD2 3.4Å; L450-F454 PolarHBondContact O-N 2.82Å; L450-I458 HydrophobicContact CB-CD1 3.99Å; L450-I458 HydrophobicContact CD1-CG2 4.25Å; L450-I460 HydrophobicContact CD1-CD1 3.94Å; L450-I460 HydrophobicContact CD1-CG1 4.35Å
451	E	96.5	Very high	95.6	Very high	51 Å²	51	94.8 Å²	94.8	24%	0.238	49%	0.491	C	S	.	.	H	α-helix	trans	-59.9	-39.4	177.9	-64.3	-176	156.7	0	0	111	Q447 K453 A455 D456 R457 I458	Q447-E451 HydrophobicContact CG-CG 4.04Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.42Å; Q447-E451 PolarHBondContact NE2-OE1 3.45Å; Q447-E451 VanDerWaalsContact O-CG 3.29Å; Q447-E451 WeakPolarHBondContact O-CG 3.42Å; Q447-E451 PolarHBondContact O-N 2.86Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 2.95Å; E451-A455 VanDerWaalsContact O-CA 3.28Å; E451-A455 WeakPolarHBondContact O-CA 3.43Å; E451-A455 PolarHBondContact O-N 3.26Å; E451-D456 WeakPolarHBondContact CA-O 3.23Å; E451-D456 WeakPolarHBondContact CB-O 3.45Å; E451-D456 VanDerWaalsContact CG-O 3.29Å; E451-D456 WeakPolarHBondContact CG-O 3.44Å; E451-R457 WeakPolarHBondContact OE1-CA 3.39Å; E451-R457 WeakPolarHBondContact OE1-CG 3.46Å; E451-I458 HydrophobicContact CG-CB 4.22Å; E451-I458 PolarHBondContact OE1-N 3.16Å
452	K	95.1	Very high	95.6	Very high	191 Å²	191	89.9 Å²	89.9	83%	0.83	47%	0.471	S	S	*	.	H	α-helix	trans	-63.1	-32.6	174.1	-176.8	176.6	-179.6	179.5	0	113	Q448 L450	Q448-K452 WeakPolarHBondContact O-CB 3.3Å; Q448-K452 PolarHBondContact O-N 3.49Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 2.81Å
453	K	95.7	Very high	95.5	Very high	165 Å²	165	88.5 Å²	88.5	72%	0.717	47%	0.47	S	S	*	.	H	α-helix	trans	-83.6	-39.2	-178.4	179.9	59.2	180	176	0	112.6	S449 L450 E451	S449-K453 PolarHBondContact O-N 3.39Å; L450-K453 PolarHBondContact O-N 2.89Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 2.95Å
454	F	95.4	Very high	95.4	Very high	121 Å²	121	95.8 Å²	95.8	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-102.2	-10.3	-172.3	-63.5	-67.8	0	0	0	113.9	L450 D456 I458	L450-F454 HydrophobicContact CB-CD2 4.34Å; L450-F454 HydrophobicContact CD2-CD2 4.38Å; L450-F454 HydrophobicContact CD2-CE2 3.86Å; L450-F454 VanDerWaalsContact O-CD2 3.25Å; L450-F454 WeakPolarHBondContact O-CD2 3.4Å; L450-F454 PolarHBondContact O-N 2.82Å; F454-D456 PolarHBondContact O-N 3.21Å; F454-D456 VanDerWaalsContact O-N 3.14Å; F454-I458 HydrophobicContact CB-CD1 4.03Å; F454-I458 HydrophobicContact CD2-CD1 3.83Å; F454-I458 HydrophobicContact CG-CD1 4.28Å
455	A	87.7	Confident	95.1	Very high	94 Å²	94	98.2 Å²	98.2	78%	0.777	52%	0.516	S	S	*	.	S	Bend	trans	59.6	14	-178	0	0	0	0	0	115.3	E451	E451-A455 VanDerWaalsContact O-CA 3.28Å; E451-A455 WeakPolarHBondContact O-CA 3.43Å; E451-A455 PolarHBondContact O-N 3.26Å
456	D	89.6	Confident	95	Very high	115 Å²	115	98.6 Å²	98.6	62%	0.615	51%	0.51	S	S	*	.	S	Bend	trans	-114	156.7	175.3	-74.1	-34.6	0	0	0	110.6	E451 F454 I458	E451-D456 WeakPolarHBondContact CA-O 3.23Å; E451-D456 WeakPolarHBondContact CB-O 3.45Å; E451-D456 VanDerWaalsContact CG-O 3.29Å; E451-D456 WeakPolarHBondContact CG-O 3.44Å; F454-D456 PolarHBondContact O-N 3.21Å; F454-D456 VanDerWaalsContact O-N 3.14Å; D456-I458 PolarHBondContact O-N 2.82Å
457	R	93.3	Very high	94.8	Very high	217 Å²	217	99.2 Å²	99.2	82%	0.819	51%	0.508	S	S	*	.			trans	-75.2	120.4	174	-173.3	-179.4	-179.1	-176.5	-0.2	110.2	E451	E451-R457 WeakPolarHBondContact OE1-CA 3.39Å; E451-R457 WeakPolarHBondContact OE1-CG 3.46Å
458	I	94.9	Very high	94.4	Very high	49 Å²	49	104.3 Å²	104.3	25%	0.251	54%	0.536	S	S	.	.			trans	-128.5	86.2	-175.4	-57.9	172.4	0	0	0	108.6	Q447 L450 E451 F454 D456 I460	Q447-I458 WeakPolarHBondContact CG-O 3.41Å; L450-I458 HydrophobicContact CB-CD1 3.99Å; L450-I458 HydrophobicContact CD1-CG2 4.25Å; E451-I458 HydrophobicContact CG-CB 4.22Å; E451-I458 PolarHBondContact OE1-N 3.16Å; F454-I458 HydrophobicContact CB-CD1 4.03Å; F454-I458 HydrophobicContact CD2-CD1 3.83Å; F454-I458 HydrophobicContact CG-CD1 4.28Å; D456-I458 PolarHBondContact O-N 2.82Å; I458-I460 HydrophobicContact CG2-CD1 4.14Å; I458-I460 PolarHBondContact O-N 2.79Å
459	P	95.3	Very high	94.2	Very high	85 Å²	85	106.5 Å²	106.5	55%	0.552	54%	0.539	S	S	*	.			trans	-65.4	125	-178	26.3	-32.6	0	0	0	111.1
460	I	96.5	Very high	93.9	Very high	50 Å²	50	103 Å²	103	26%	0.256	51%	0.514	S	S	.	.			trans	-107	105.9	173.5	-56.8	-60.2	0	0	0	108.5	L443 V446 Q447 L450 I458	L443-I460 HydrophobicContact CB-CG2 4.23Å; L443-I460 HydrophobicContact CD2-CG2 3.91Å; V446-I460 HydrophobicContact CG1-CG1 4.26Å; Q447-I460 HydrophobicContact CB-CB 4.05Å; Q447-I460 HydrophobicContact CB-CG1 3.77Å; Q447-I460 VanDerWaalsContact OE1-N 3.16Å; L450-I460 HydrophobicContact CD1-CD1 3.94Å; L450-I460 HydrophobicContact CD1-CG1 4.35Å; I458-I460 HydrophobicContact CG2-CD1 4.14Å; I458-I460 PolarHBondContact O-N 2.79Å
461	T	95.6	Very high	93.3	Very high	110 Å²	110	101.7 Å²	101.7	68%	0.675	51%	0.511	S	S	*	.			trans	-115.3	150.3	-177.2	54.3	0	0	0	0	111.6
462	P	95.8	Very high	92	Very high	28 Å²	28	100.5 Å²	100.5	18%	0.182	51%	0.508	C	S	.	.			trans	-63.1	144.9	174.7	26.7	-33.1	0	0	0	111.2	Y440 L443 F466 Q467 I470	Y440-P462 HydrophobicContact CE1-CG 4.27Å; L443-P462 HydrophobicContact CD1-CB 4.19Å; L443-P462 HydrophobicContact CD1-CG 4.35Å; P462-F466 HydrophobicContact CB-CB 4.37Å; P462-F466 HydrophobicContact CB-CD1 3.62Å; P462-F466 HydrophobicContact CB-CE1 4.42Å; P462-F466 HydrophobicContact CB-CG 4.44Å; P462-Q467 HydrophobicContact CB-CB 4.4Å; P462-I470 HydrophobicContact CB-CD1 4.05Å; P462-I470 HydrophobicContact CG-CD1 4.08Å
463	S	95.6	Very high	90	Very high	73 Å²	73	99.9 Å²	99.9	51%	0.51	51%	0.512	S	S	.	.			trans	-69.1	164.6	166	63.3	0	0	0	0	110.6	D465 F466 Q467	S463-D465 VanDerWaalsContact C-N 3.3Å; S463-D465 PolarHBondContact O-N 2.99Å; S463-F466 PolarHBondContact O-N 3.49Å; S463-F466 VanDerWaalsContact O-N 3.13Å; S463-F466 WeakPolarHBondContact OG-CB 3.27Å; S463-F466 PolarHBondContact OG-N 3.26Å; S463-Q467 VanDerWaalsContact O-CB 3.31Å; S463-Q467 WeakPolarHBondContact O-CB 3.1Å; S463-Q467 PolarHBondContact O-N 3.23Å
464	E	95.1	Very high	89.8	Confident	176 Å²	176	96.7 Å²	96.7	82%	0.822	50%	0.501	S	S	*	.	H	α-helix	trans	-55.3	-45.6	176.7	-67.1	-174.6	170.2	0	0	112	F466 Q467 L468	E464-F466 PolarHBondContact O-N 3.31Å; E464-Q467 WeakPolarHBondContact O-CB 3.28Å; E464-Q467 PolarHBondContact O-N 3.47Å; E464-L468 PolarHBondContact O-N 3.5Å
465	D	92.5	Very high	89.5	Confident	123 Å²	123	95.4 Å²	95.4	66%	0.658	50%	0.5	S	S	*	.	H	α-helix	trans	-61.9	-41.7	176.4	-77	-20.3	0	0	0	112.7	S463	S463-D465 VanDerWaalsContact C-N 3.3Å; S463-D465 PolarHBondContact O-N 2.99Å
466	F	93.7	Very high	89.6	Confident	75 Å²	75	95.4 Å²	95.4	33%	0.329	49%	0.485	S	S	.	.	H	α-helix	trans	-73.1	-32.7	179.1	-172.5	-124.4	0	0	0	111.5	N439 L443 P462 S463 E464 L468 R469 I470	N439-F466 HydrophobicContact CB-CZ 4.22Å; L443-F466 HydrophobicContact CD1-CE1 4.28Å; P462-F466 HydrophobicContact CB-CB 4.37Å; P462-F466 HydrophobicContact CB-CD1 3.62Å; P462-F466 HydrophobicContact CB-CE1 4.42Å; P462-F466 HydrophobicContact CB-CG 4.44Å; S463-F466 PolarHBondContact O-N 3.49Å; S463-F466 VanDerWaalsContact O-N 3.13Å; S463-F466 WeakPolarHBondContact OG-CB 3.27Å; S463-F466 PolarHBondContact OG-N 3.26Å; E464-F466 PolarHBondContact O-N 3.31Å; F466-L468 VanDerWaalsContact C-N 3.28Å; F466-L468 PolarHBondContact O-N 2.85Å; F466-R469 CarbonylContact O-C 3.56Å; F466-R469 PolarHBondContact O-N 2.74Å; F466-I470 HydrophobicContact CE1-CD1 4.24Å; F466-I470 PolarHBondContact O-N 2.82Å
467	Q	93.7	Very high	89.6	Confident	77 Å²	77	94.3 Å²	94.3	36%	0.36	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-37	176.5	-174.8	61.8	27	0	0	111.6	Y440 P462 S463 E464 R469 I470	Y440-Q467 PolarHBondContact OH-NE2 3.02Å; Y440-Q467 VanDerWaalsContact OH-NE2 3.12Å; Y440-Q467 PolarHBondContact OH-OE1 2.84Å; Y440-Q467 VanDerWaalsContact OH-OE1 3.05Å; P462-Q467 HydrophobicContact CB-CB 4.4Å; S463-Q467 VanDerWaalsContact O-CB 3.31Å; S463-Q467 WeakPolarHBondContact O-CB 3.1Å; S463-Q467 PolarHBondContact O-N 3.23Å; E464-Q467 WeakPolarHBondContact O-CB 3.28Å; E464-Q467 PolarHBondContact O-N 3.47Å; Q467-R469 PolarHBondContact O-N 2.78Å; Q467-I470 VanDerWaalsContact O-CG2 3.3Å; Q467-I470 WeakPolarHBondContact O-CG2 3.24Å
468	L	90.7	Very high	89.3	Confident	144 Å²	144	86.6 Å²	86.6	75%	0.754	46%	0.455	S	S	*	.	H	α-helix	trans	-64.9	-29.1	173.8	-67.8	172.8	0	0	0	112.6	E464 F466	E464-L468 PolarHBondContact O-N 3.5Å; F466-L468 VanDerWaalsContact C-N 3.28Å; F466-L468 PolarHBondContact O-N 2.85Å
469	R	91.9	Very high	88.9	Confident	154 Å²	154	89.1 Å²	89.1	58%	0.581	47%	0.469	S	S	*	.	H	α-helix	trans	-101.3	1.3	-176.3	-60.5	179.4	-173.3	-141.1	1.9	114	F466 Q467 A471 V472	F466-R469 CarbonylContact O-C 3.56Å; F466-R469 PolarHBondContact O-N 2.74Å; Q467-R469 PolarHBondContact O-N 2.78Å; R469-A471 PolarHBondContact O-N 3.28Å; R469-V472 PolarHBondContact O-N 2.99Å
470	I	91.1	Very high	88.5	Confident	8 Å²	8	89.4 Å²	89.4	4%	0.041	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.8	-166.9	-160.3	141.2	0	0	0	113.4	R436 N439 Y440 P462 F466 Q467	R436-I470 VanDerWaalsContact CA-O 3.29Å; R436-I470 WeakPolarHBondContact CA-O 3.35Å; R436-I470 HydrophobicContact CG-CG2 4.25Å; R436-I470 PolarHBondContact N-O 3.34Å; N439-I470 HydrophobicContact CB-CD1 4.48Å; N439-I470 HydrophobicContact CB-CG1 3.91Å; N439-I470 PolarHBondContact ND2-O 2.77Å; Y440-I470 HydrophobicContact CD1-CD1 4.4Å; Y440-I470 HydrophobicContact CD2-CD1 4.24Å; Y440-I470 HydrophobicContact CE1-CD1 3.9Å; Y440-I470 HydrophobicContact CE2-CD1 3.71Å; Y440-I470 HydrophobicContact CE2-CG1 4.11Å; P462-I470 HydrophobicContact CB-CD1 4.05Å; P462-I470 HydrophobicContact CG-CD1 4.08Å; F466-I470 HydrophobicContact CE1-CD1 4.24Å; F466-I470 PolarHBondContact O-N 2.82Å; Q467-I470 VanDerWaalsContact O-CG2 3.3Å; Q467-I470 WeakPolarHBondContact O-CG2 3.24Å
471	A	83.1	Confident	87.9	Confident	29 Å²	29	92.5 Å²	92.5	24%	0.24	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	22.8	179.1	0	0	0	0	0	112.7	F432 R436 R469	F432-A471 HydrophobicContact CB-CB 4.44Å; F432-A471 WeakPolarHBondContact CD1-O 3.47Å; F432-A471 WeakPolarHBondContact O-CB 3.4Å; R436-A471 HydrophobicContact CB-CB 4.01Å; R469-A471 PolarHBondContact O-N 3.28Å
472	V	70	Confident	87.2	Confident	27 Å²	27	91 Å²	91	16%	0.164	46%	0.463	C	S	.	.			trans	97.8	127.3	-174	-174.5	0	0	0	0	114.7	Y427 F432 E435 R469	Y427-V472 HydrophobicContact CE1-CG1 4.16Å; F432-V472 HydrophobicContact CD1-CB 4.13Å; F432-V472 HydrophobicContact CD1-CG2 4.24Å; F432-V472 HydrophobicContact CE1-CB 4.04Å; E435-V472 HydrophobicContact CB-CG2 4.43Å; E435-V472 HydrophobicContact CG-CG2 4.29Å; E435-V472 WeakPolarHBondContact OE1-CG2 3.47Å; E435-V472 WeakPolarHBondContact OE2-CG2 3.32Å; R469-V472 PolarHBondContact O-N 2.99Å
473	I	53.8	Low	86.5	Confident	178 Å²	178	96.7 Å²	96.7	91%	0.913	49%	0.488	S	S	*	.			trans	11.3	0	171.6	-52.6	179.6	0	0	0	118.7

Retrieved 473 of 473 residues in 624.4 ms (Link to these results)

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