A0A3Q0KFT6_SCHMA Loading...

DNA repair nuclease/redox regulator APEX1

AlphaFold DB , UniProt , Accession A0A3Q0KFT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	41.9	Very low	245 Å²	245	157.9 Å²	157.9	100%	1.207	83%	0.832	S	S	*	*				0	140.1	0	-71.5	173.2	174.5	0	0	108.9
2	S	41.7	Very low	41.9	Very low	107 Å²	107	161.7 Å²	161.7	75%	0.748	84%	0.836	S	S	*	*			trans	25.4	113	165.7	-145.5	0	0	0	0	119.6
3	S	39.9	Very low	41.8	Very low	88 Å²	88	165.8 Å²	165.8	62%	0.615	84%	0.844	S	S	*	*				68.9	137.7	73.2	107.2	0	0	0	0	113.8
4	K	43.7	Very low	41.7	Very low	180 Å²	180	163.6 Å²	163.6	78%	0.783	84%	0.842	S	S	*	*			cis	-145.9	149	19.9	-93.3	147.3	-170.4	178.1	0	109.7
5	R	41.2	Very low	41.7	Very low	228 Å²	228	161.7 Å²	161.7	86%	0.86	84%	0.841	S	S	*	*				45.3	138.1	88.7	-73	-169.7	175.6	-177.4	-0.7	113.6
6	T	42.1	Very low	41.4	Very low	125 Å²	125	163.6 Å²	163.6	77%	0.767	84%	0.844	S	S	*	*			cis	-169.6	173.1	8.5	10.6	0	0	0	0	107.7
7	S	43.8	Very low	41.4	Very low	114 Å²	114	165.8 Å²	165.8	80%	0.797	85%	0.846	S	S	*	*			cis	-164.5	177.9	4.7	32.8	0	0	0	0	111.4
8	N	40.2	Very low	41.4	Very low	154 Å²	154	167.6 Å²	167.6	82%	0.824	85%	0.847	S	S	*	*			trans	-53.1	162.4	174.7	-61.9	-32.7	0	0	0	117.1
9	V	43.2	Very low	41.3	Very low	135 Å²	135	165.2 Å²	165.2	82%	0.818	84%	0.844	S	S	*	*				-163.1	139.5	113.1	142.9	0	0	0	0	111.1
10	S	37.8	Very low	41.2	Very low	114 Å²	114	168.9 Å²	168.9	80%	0.797	85%	0.847	S	S	*	*			trans	-86.3	151.3	179.7	55	0	0	0	0	113.2
11	R	42.8	Very low	41	Very low	247 Å²	247	168.8 Å²	168.8	93%	0.932	85%	0.849	S	S	*	*			trans	-134	139.2	162.6	-78.3	-170.3	172	175	-1.2	112.2
12	K	42.8	Very low	40.5	Very low	203 Å²	203	165.4 Å²	165.4	88%	0.883	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-74	148.8	-174.7	-65.9	171.2	175	176.6	0	111.2
13	K	39.8	Very low	40.4	Very low	215 Å²	215	165.2 Å²	165.2	94%	0.935	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.1	168	-74.7	-179	173.8	179.9	0	110.1
14	T	40.7	Very low	40.3	Very low	135 Å²	135	166.8 Å²	166.8	83%	0.828	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-103.2	134.9	173.6	-38.2	0	0	0	0	109
15	V	41.4	Very low	39.9	Very low	136 Å²	136	166.9 Å²	166.9	82%	0.824	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-84	122.6	177.8	176.9	0	0	0	0	109.7	K17	V15-K17 PolarHBondContact O-N 3.26Å
16	E	37.2	Very low	40	Very low	191 Å²	191	163.2 Å²	163.2	89%	0.893	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.6	123.3	174.9	-68.4	-173.8	137	0	0	111.4
17	K	40.7	Very low	39.7	Very low	201 Å²	201	166.9 Å²	166.9	87%	0.874	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-95.5	120.6	165.3	-77.4	-178.8	174.8	177.5	0	108.9	V15	V15-K17 PolarHBondContact O-N 3.26Å
18	K	42.9	Very low	39.3	Very low	198 Å²	198	165 Å²	165	86%	0.861	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.5	171.2	-74.7	-177.5	174.8	-179.7	0	110.9
19	P	38.8	Very low	39.4	Very low	123 Å²	123	163.8 Å²	163.8	80%	0.799	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-67.3	142.1	-178.8	27.8	-34.3	0	0	0	111.7
20	R	38.7	Very low	39.2	Very low	239 Å²	239	165.8 Å²	165.8	90%	0.902	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-67.7	131.2	169.4	-87.9	177.8	165.3	169.8	-6	109.5	Q22	R20-Q22 PolarHBondContact O-N 2.98Å; R20-Q22 VanDerWaalsContact O-N 3.16Å
21	N	37.1	Very low	39.5	Very low	167 Å²	167	163.5 Å²	163.5	89%	0.893	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-53.4	120.1	166.1	-91.7	-7.5	0	0	0	109.8
22	Q	33.5	Very low	39.9	Very low	174 Å²	174	153 Å²	153	81%	0.813	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-79.2	123.2	165.6	-66.1	-179.2	4.3	0	0	107.5	R20	R20-Q22 PolarHBondContact O-N 2.98Å; R20-Q22 VanDerWaalsContact O-N 3.16Å
23	S	40.2	Very low	40.3	Very low	102 Å²	102	151 Å²	151	71%	0.713	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-58.4	148	165.2	48.7	0	0	0	0	109.5	K25	S23-K25 PolarHBondContact O-N 3.21Å
24	P	37	Very low	41	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-53.6	129.7	176.8	-22.9	33.1	0	0	0	110	D26	P24-D26 PolarHBondContact O-N 2.79Å
25	K	36.9	Very low	42.1	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.2	166.2	-69.4	178	177.7	178.2	0	106.9	S23 K27	S23-K25 PolarHBondContact O-N 3.21Å; K25-K27 PolarHBondContact O-N 2.85Å; K25-K27 VanDerWaalsContact O-N 3.07Å
26	D	41.8	Very low	43.6	Very low	151 Å²	151	141 Å²	141	81%	0.807	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-53.9	117.7	169	-73.8	-49.2	0	0	0	108.5	P24	P24-D26 PolarHBondContact O-N 2.79Å
27	K	35.7	Very low	45.9	Very low	202 Å²	202	133.4 Å²	133.4	88%	0.878	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-66.6	139.9	166.3	-67.2	-175.3	178.5	-178.6	0	106.7	K25	K25-K27 PolarHBondContact O-N 2.85Å; K25-K27 VanDerWaalsContact O-N 3.07Å
28	G	36	Very low	48	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-49.5	136.5	-158.6	0	0	0	0	0	114.5	E30	G28-E30 PolarHBondContact O-N 2.63Å
29	L	41.6	Very low	50.2	Low	129 Å²	129	120.5 Å²	120.5	68%	0.675	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.6	122.9	168.4	-71.7	95.8	0	0	0	109.2	Y265	L29-Y265 HydrophobicContact CD2-CD2 4.29Å; L29-Y265 HydrophobicContact CD2-CE2 4.14Å
30	E	40.2	Very low	52.5	Low	178 Å²	178	114.9 Å²	114.9	83%	0.832	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-58.5	145.4	158	-66.8	179.6	149.8	0	0	108.7	G28	G28-E30 PolarHBondContact O-N 2.63Å
31	S	43.8	Very low	54.6	Low	65 Å²	65	108.3 Å²	108.3	46%	0.455	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-67.1	149.3	-179.7	59.9	0	0	0	0	110.6	E33	S31-E33 PolarHBondContact O-N 3.05Å
32	P	52	Low	56.8	Low	28 Å²	28	107.9 Å²	107.9	18%	0.182	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-63.3	-1.7	178.3	-23.2	34.3	0	0	0	115.7	T34	P32-T34 PolarHBondContact O-N 3.04Å
33	E	51.5	Low	59.2	Low	160 Å²	160	101 Å²	101	75%	0.748	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-89.3	2.3	-158.3	-65.2	173.1	137.3	0	0	115	S31	S31-E33 PolarHBondContact O-N 3.05Å
34	T	52.8	Low	61.2	Low	124 Å²	124	99.3 Å²	99.3	76%	0.761	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-130	14.8	-178.6	54.3	0	0	0	0	114.7	P32 N36	P32-T34 PolarHBondContact O-N 3.04Å; T34-N36 PolarHBondContact O-N 3.2Å
35	Q	63.5	Low	63.5	Low	65 Å²	65	93.5 Å²	93.5	30%	0.304	49%	0.489	S	S	.	.			trans	-75.6	118.5	173.6	-66	-174.7	-6.6	0	0	110.2	L37	Q35-L37 HydrophobicContact CB-CD2 4.25Å; Q35-L37 HydrophobicContact CB-CG 4.43Å; Q35-L37 PolarHBondContact O-N 3Å
36	N	72.9	Confident	66	Low	88 Å²	88	85 Å²	85	47%	0.471	45%	0.452	S	S	.	.			trans	-63.3	119.3	165	179.1	-48.6	0	0	0	108.2	T34 D38	T34-N36 PolarHBondContact O-N 3.2Å; N36-D38 PolarHBondContact ND2-OD2 2.99Å; N36-D38 VanDerWaalsContact OD1-CB 3.25Å; N36-D38 WeakPolarHBondContact OD1-CB 3.46Å; N36-D38 PolarHBondContact OD1-N 3.3Å; N36-D38 PolarHBondContact OD1-OD2 2.78Å
37	L	85.9	Confident	68.1	Low	31 Å²	31	78.7 Å²	78.7	16%	0.162	42%	0.42	C	S	.	.			trans	-116.6	26.3	178.6	-62.6	-176.6	0	0	0	111.3	Q35 W39 C40 R270 T301	Q35-L37 HydrophobicContact CB-CD2 4.25Å; Q35-L37 HydrophobicContact CB-CG 4.43Å; Q35-L37 PolarHBondContact O-N 3Å; L37-W39 HydrophobicContact CD2-CZ2 4.07Å; L37-W39 PolarHBondContact O-N 3.4Å; L37-W39 VanDerWaalsContact O-N 3.1Å; L37-C40 HydrophobicContact CB-CB 4.32Å; L37-C40 WeakPolarHBondContact O-CB 3.42Å; L37-C40 PolarHBondContact O-N 3.28Å; L37-R270 HydrophobicContact CD2-CG 4.01Å; L37-T301 HydrophobicContact CD1-CG2 3.88Å
38	D	84.9	Confident	70.4	Confident	105 Å²	105	70.6 Å²	70.6	56%	0.561	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-55	-32.7	177.8	-65.2	-16	0	0	0	110.9	N36 C40 T41	N36-D38 PolarHBondContact ND2-OD2 2.99Å; N36-D38 VanDerWaalsContact OD1-CB 3.25Å; N36-D38 WeakPolarHBondContact OD1-CB 3.46Å; N36-D38 PolarHBondContact OD1-N 3.3Å; N36-D38 PolarHBondContact OD1-OD2 2.78Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.38Å; D38-T41 WeakPolarHBondContact O-CB 3.39Å; D38-T41 PolarHBondContact O-N 2.96Å; D38-T41 PolarHBondContact O-OG1 3.08Å
39	W	89.1	Confident	72.7	Confident	22 Å²	22	72.6 Å²	72.6	8%	0.083	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.1	175.5	69.3	-100.8	0	0	0	114	L37 R42 Y43 W263 R270 N273 C298	L37-W39 HydrophobicContact CD2-CZ2 4.07Å; L37-W39 PolarHBondContact O-N 3.4Å; L37-W39 VanDerWaalsContact O-N 3.1Å; W39-R42 PolarHBondContact O-NE 3.04Å; W39-R42 PolarHBondContact O-NH2 3.48Å; W39-Y43 HydrophobicContact CE3-CD2 4.34Å; W39-Y43 AromaticContact CE3-CE2 3.77Å; W39-Y43 HydrophobicContact CE3-CE2 3.77Å; W39-Y43 HydrophobicContact CZ3-CD2 4.2Å; W39-Y43 AromaticContact CZ3-CE2 3.8Å; W39-Y43 HydrophobicContact CZ3-CE2 3.8Å; W39-W263 AromaticContact CH2-CE2 3.78Å; W39-W263 HydrophobicContact CH2-CH2 4.25Å; W39-W263 AromaticContact CH2-CZ2 3.44Å; W39-W263 HydrophobicContact CH2-CZ2 3.44Å; W39-W263 VanDerWaalsContact CH2-CZ2 3.44Å; W39-W263 AromaticContact CH2-NE1 3.91Å; W39-W263 HydrophobicContact CZ2-CZ2 4.2Å; W39-W263 HydrophobicContact CZ3-CZ2 4.33Å; W39-R270 HydrophobicContact CZ2-CG 4.19Å; W39-R270 VanDerWaalsContact CZ2-O 3.26Å; W39-R270 WeakPolarHBondContact CZ2-O 3.37Å; W39-R270 PolarHBondContact NE1-O 3.09Å; W39-N273 HydrophobicContact CD2-CB 3.67Å; W39-N273 HydrophobicContact CE3-CB 3.87Å; W39-N273 VanDerWaalsContact CE3-CG 3.42Å; W39-N273 HydrophobicContact CG-CB 4.06Å; W39-N273 HydrophobicContact CH2-CB 4.45Å; W39-N273 WeakPolarHBondContact CH2-OD1 3.43Å; W39-N273 HydrophobicContact CZ2-CB 4.24Å; W39-N273 HydrophobicContact CZ3-CB 4.28Å; W39-N273 VanDerWaalsContact CZ3-CG 3.45Å; W39-N273 WeakPolarHBondContact CZ3-OD1 3.46Å; W39-C298 HydrophobicContact CH2-CB 3.97Å; W39-C298 HydrophobicContact CZ3-CB 4.18Å
40	C	88.3	Confident	74.7	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-70.1	-31.7	177.7	-68.5	0	0	0	0	112.2	L37 D38 R42 Y43 S46 C298	L37-C40 HydrophobicContact CB-CB 4.32Å; L37-C40 WeakPolarHBondContact O-CB 3.42Å; L37-C40 PolarHBondContact O-N 3.28Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.38Å; C40-R42 PolarHBondContact O-N 3.35Å; C40-Y43 PolarHBondContact O-N 3.02Å; C40-S46 WeakPolarHBondContact O-CB 3.44Å; C40-S46 PolarHBondContact O-OG 2.86Å; C40-C298 PolarHBondContact SG-O 2.79Å; C40-C298 VanDerWaalsContact SG-O 3.39Å
41	T	82.2	Confident	76.8	Confident	101 Å²	101	63.7 Å²	63.7	62%	0.62	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.3	-17.6	-175.9	67.7	0	0	0	0	113.2	D38 Y43	D38-T41 WeakPolarHBondContact O-CB 3.39Å; D38-T41 PolarHBondContact O-N 2.96Å; D38-T41 PolarHBondContact O-OG1 3.08Å; T41-Y43 VanDerWaalsContact C-N 3.25Å; T41-Y43 PolarHBondContact O-N 3.4Å
42	R	83.1	Confident	78.8	Confident	159 Å²	159	66.3 Å²	66.3	60%	0.6	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-76.2	-7.5	176.5	-56.1	178.1	-61.2	175.8	7.8	113.7	W39 C40	W39-R42 PolarHBondContact O-NE 3.04Å; W39-R42 PolarHBondContact O-NH2 3.48Å; C40-R42 PolarHBondContact O-N 3.35Å
43	Y	84.3	Confident	80.4	Confident	28 Å²	28	66.3 Å²	66.3	11%	0.11	35%	0.35	C	S	.	.	S	Bend	trans	-115.7	117.5	-177.1	-54.2	-51.7	0	0	0	110.9	W39 C40 T41 S46 R257 G258 V259	W39-Y43 HydrophobicContact CE3-CD2 4.34Å; W39-Y43 AromaticContact CE3-CE2 3.77Å; W39-Y43 HydrophobicContact CE3-CE2 3.77Å; W39-Y43 HydrophobicContact CZ3-CD2 4.2Å; W39-Y43 AromaticContact CZ3-CE2 3.8Å; W39-Y43 HydrophobicContact CZ3-CE2 3.8Å; C40-Y43 PolarHBondContact O-N 3.02Å; T41-Y43 VanDerWaalsContact C-N 3.25Å; T41-Y43 PolarHBondContact O-N 3.4Å; Y43-S46 VanDerWaalsContact O-CB 3.26Å; Y43-S46 WeakPolarHBondContact O-CB 3.24Å; Y43-S46 PolarHBondContact O-N 3.01Å; Y43-S46 PolarHBondContact O-OG 2.94Å; Y43-R257 PolarHBondContact OH-O 3.34Å; Y43-G258 VanDerWaalsContact OH-C 3.29Å; Y43-G258 WeakPolarHBondContact OH-CA 3.48Å; Y43-G258 PolarHBondContact OH-O 2.94Å; Y43-G258 VanDerWaalsContact OH-O 3.05Å; Y43-V259 HydrophobicContact CD1-CG2 3.49Å; Y43-V259 VanDerWaalsContact CD1-CG2 3.49Å; Y43-V259 HydrophobicContact CD2-CG2 4.13Å; Y43-V259 HydrophobicContact CE1-CG2 3.45Å; Y43-V259 VanDerWaalsContact CE1-CG2 3.45Å; Y43-V259 HydrophobicContact CE2-CG2 4.09Å; Y43-V259 HydrophobicContact CG-CG2 3.86Å
44	P	82.5	Confident	82	Confident	67 Å²	67	63.7 Å²	63.7	44%	0.435	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.5	164.5	-24	34.5	0	0	0	110.6	S46	P44-S46 PolarHBondContact O-N 2.95Å
45	G	84.9	Confident	83.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.2	-177.9	0	0	0	0	0	115.7	S47 L50 E295 R297	G45-S47 PolarHBondContact O-N 3.41Å; G45-L50 WeakPolarHBondContact CA-O 3.44Å; G45-L50 PolarHBondContact N-O 3.09Å; G45-E295 VanDerWaalsContact CA-OE1 3.26Å; G45-E295 WeakPolarHBondContact CA-OE1 3.44Å; G45-R297 WeakPolarHBondContact O-CA 3.38Å; G45-R297 WeakPolarHBondContact O-CD 3.37Å; G45-R297 PolarHBondContact O-NH1 3.39Å
46	S	88.7	Confident	84.2	Confident	3 Å²	3	62 Å²	62	2%	0.021	34%	0.341	C	S	.	.	S	Bend	trans	-62.6	-20.1	177	50.7	0	0	0	0	113.8	C40 Y43 P44 L50 R297 C298 G299	C40-S46 WeakPolarHBondContact O-CB 3.44Å; C40-S46 PolarHBondContact O-OG 2.86Å; Y43-S46 VanDerWaalsContact O-CB 3.26Å; Y43-S46 WeakPolarHBondContact O-CB 3.24Å; Y43-S46 PolarHBondContact O-N 3.01Å; Y43-S46 PolarHBondContact O-OG 2.94Å; P44-S46 PolarHBondContact O-N 2.95Å; S46-L50 VanDerWaalsContact OG-CD1 3.28Å; S46-L50 WeakPolarHBondContact OG-CD1 3.39Å; S46-R297 CarbonylContact O-C 3.5Å; S46-R297 VanDerWaalsContact O-CA 3.29Å; S46-R297 WeakPolarHBondContact O-CA 3.33Å; S46-C298 WeakPolarHBondContact CB-SG 3.3Å; S46-C298 PolarHBondContact O-N 3.04Å; S46-G299 WeakPolarHBondContact O-CA 3.43Å; S46-G299 PolarHBondContact O-N 2.64Å
47	S	86.5	Confident	84.8	Confident	20 Å²	20	65 Å²	65	14%	0.14	35%	0.349	C	S	.	.	S	Bend	trans	-144.5	168	167.8	78.1	0	0	0	0	110.3	G45 E49 L50 A51	G45-S47 PolarHBondContact O-N 3.41Å; S47-E49 WeakPolarHBondContact CB-OE2 3.48Å; S47-E49 PolarHBondContact O-N 3.48Å; S47-E49 PolarHBondContact OG-OE2 3.29Å; S47-L50 CarbonylContact O-C 3.56Å; S47-L50 PolarHBondContact O-N 3.07Å; S47-A51 PolarHBondContact O-N 2.88Å
48	P	84.4	Confident	85.2	Confident	32 Å²	32	68 Å²	68	21%	0.208	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.7	178.1	-23	32.8	0	0	0	113.9	L50 A51 Y81 E85	P48-L50 VanDerWaalsContact C-N 3.28Å; P48-A51 WeakPolarHBondContact O-CB 3.45Å; P48-A51 PolarHBondContact O-N 2.96Å; P48-Y81 HydrophobicContact CG-CD2 4.27Å; P48-Y81 HydrophobicContact CG-CE2 3.66Å; P48-E85 WeakPolarHBondContact CG-OE2 3.14Å
49	E	84.5	Confident	85.7	Confident	115 Å²	115	66.9 Å²	66.9	54%	0.537	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-76.7	-18	179.8	-51.1	73.6	-158.9	0	0	112.6	S47 K84	S47-E49 WeakPolarHBondContact CB-OE2 3.48Å; S47-E49 PolarHBondContact O-N 3.48Å; S47-E49 PolarHBondContact OG-OE2 3.29Å; E49-K84 VanDerWaalsContact OE1-CE 3.25Å; E49-K84 WeakPolarHBondContact OE1-CE 3.4Å; E49-K84 IonicContact OE1-NZ 3.17Å; E49-K84 PolarHBondContact OE1-NZ 2.78Å
50	L	82.8	Confident	86.1	Confident	86 Å²	86	66.3 Å²	66.3	45%	0.45	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-105.6	6.5	178.1	-61.5	175	0	0	0	112.1	G45 S46 S47 P48 N52	G45-L50 WeakPolarHBondContact CA-O 3.44Å; G45-L50 PolarHBondContact N-O 3.09Å; S46-L50 VanDerWaalsContact OG-CD1 3.28Å; S46-L50 WeakPolarHBondContact OG-CD1 3.39Å; S47-L50 CarbonylContact O-C 3.56Å; S47-L50 PolarHBondContact O-N 3.07Å; P48-L50 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.74Å
51	A	85.1	Confident	86.5	Confident	34 Å²	34	67.1 Å²	67.1	28%	0.281	35%	0.354	S	S	.	.			trans	-66.4	124.5	178.6	0	0	0	0	0	111	S47 P48 E295	S47-A51 PolarHBondContact O-N 2.88Å; P48-A51 WeakPolarHBondContact O-CB 3.45Å; P48-A51 PolarHBondContact O-N 2.96Å; A51-E295 WeakPolarHBondContact CA-OE1 3.21Å; A51-E295 WeakPolarHBondContact CB-OE2 3.49Å
52	N	84.7	Confident	87.3	Confident	120 Å²	120	62.3 Å²	62.3	64%	0.642	33%	0.325	S	S	*	.			trans	-147.6	75	-178	-176.9	67.3	0	0	0	109.9	L50 E295	L50-N52 PolarHBondContact O-N 2.74Å; N52-E295 PolarHBondContact N-OE1 3.26Å
53	P	85.7	Confident	88.1	Confident	27 Å²	27	54.8 Å²	54.8	18%	0.175	30%	0.296	C	S	.	.			trans	-61.7	137.9	-175.5	22.6	-31.9	0	0	0	111.9	S55 D293 Y311	P53-S55 PolarHBondContact O-N 2.8Å; P53-D293 VanDerWaalsContact CA-OD2 3.24Å; P53-D293 WeakPolarHBondContact CA-OD2 3.41Å; P53-D293 HydrophobicContact CB-CB 3.94Å; P53-Y311 HydrophobicContact CB-CD1 4.26Å; P53-Y311 HydrophobicContact CB-CD2 4.09Å; P53-Y311 HydrophobicContact CB-CE1 4.44Å; P53-Y311 HydrophobicContact CB-CE2 4.33Å; P53-Y311 HydrophobicContact CB-CG 4.05Å; P53-Y311 HydrophobicContact CG-CD1 4.31Å; P53-Y311 HydrophobicContact CG-CE1 4.18Å
54	L	85.6	Confident	88.7	Confident	106 Å²	106	53.4 Å²	53.4	56%	0.555	29%	0.291	S	S	*	.	S	Bend	trans	-48.8	-30.6	-178.3	-72	171.2	0	0	0	114.9	F252 Y253 D293	L54-F252 HydrophobicContact CD1-CB 3.99Å; L54-F252 HydrophobicContact CD1-CD1 3.67Å; L54-F252 HydrophobicContact CD1-CE1 4.43Å; L54-F252 HydrophobicContact CD1-CG 3.96Å; L54-Y253 HydrophobicContact CD1-CE1 4.23Å; L54-Y253 WeakPolarHBondContact CD1-OH 3.15Å; L54-Y253 WeakPolarHBondContact CG-OH 3.32Å; L54-D293 HydrophobicContact CB-CB 4.34Å; L54-D293 HydrophobicContact CG-CB 4.46Å; L54-D293 WeakPolarHBondContact CG-OD2 3.48Å; L54-D293 PolarHBondContact N-OD2 3.43Å
55	S	83	Confident	89.5	Confident	36 Å²	36	50.2 Å²	50.2	25%	0.252	27%	0.27	S	S	.	.			trans	-122.8	135.4	179.6	171.5	0	0	0	0	110.3	P53 K57	P53-S55 PolarHBondContact O-N 2.8Å; S55-K57 PolarHBondContact O-N 3.28Å; S55-K57 WeakPolarHBondContact OG-CB 3.34Å; S55-K57 PolarHBondContact OG-N 3.09Å
56	S	79.2	Confident	90.2	Very high	118 Å²	118	50.2 Å²	50.2	83%	0.825	27%	0.27	S	S	*	.	S	Bend	trans	-75.5	-6	169.1	56.6	0	0	0	0	113.6	W58	S56-W58 VanDerWaalsContact C-N 3.32Å; S56-W58 PolarHBondContact O-N 3.09Å
57	K	85	Confident	90.6	Very high	149 Å²	149	50.1 Å²	50.1	65%	0.648	27%	0.269	S	S	*	.			trans	-90.8	55	178.5	-55.5	177.7	179.4	177	0	111.7	S55 S292 Q313	S55-K57 PolarHBondContact O-N 3.28Å; S55-K57 WeakPolarHBondContact OG-CB 3.34Å; S55-K57 PolarHBondContact OG-N 3.09Å; K57-S292 PolarHBondContact O-OG 3.28Å; K57-S292 VanDerWaalsContact O-OG 3.05Å; K57-Q313 WeakPolarHBondContact O-CB 3.39Å; K57-Q313 PolarHBondContact O-OE1 3.07Å
58	W	94.4	Very high	91.1	Very high	94 Å²	94	51 Å²	51	36%	0.356	27%	0.272	S	S	.	.			trans	-116	144.1	166.9	67.9	-88.3	0	0	0	109.1	S56 K61 Y311	S56-W58 VanDerWaalsContact C-N 3.32Å; S56-W58 PolarHBondContact O-N 3.09Å; W58-K61 HydrophobicContact CZ3-CB 4.17Å; W58-Y311 HydrophobicContact CB-CD1 4.42Å; W58-Y311 AromaticContact CD2-CD1 3.47Å; W58-Y311 HydrophobicContact CD2-CD1 3.47Å; W58-Y311 VanDerWaalsContact CD2-CD1 3.47Å; W58-Y311 HydrophobicContact CD2-CE1 4.02Å; W58-Y311 AromaticContact CE2-CD1 3.7Å; W58-Y311 AromaticContact CE2-CE1 3.8Å; W58-Y311 AromaticContact CE3-CD1 3.76Å; W58-Y311 HydrophobicContact CE3-CD1 3.76Å; W58-Y311 HydrophobicContact CE3-CE1 4.25Å; W58-Y311 AromaticContact CG-CD1 3.76Å; W58-Y311 HydrophobicContact CG-CD1 3.76Å; W58-Y311 HydrophobicContact CG-CG 4.45Å; W58-Y311 HydrophobicContact CH2-CD1 4.45Å; W58-Y311 HydrophobicContact CH2-CE1 4.12Å; W58-Y311 HydrophobicContact CZ2-CD1 4.2Å; W58-Y311 AromaticContact CZ2-CE1 3.86Å; W58-Y311 HydrophobicContact CZ2-CE1 3.86Å; W58-Y311 HydrophobicContact CZ3-CD1 4.24Å; W58-Y311 HydrophobicContact CZ3-CE1 4.3Å
59	N	95.5	Very high	91.7	Very high	82 Å²	82	49.9 Å²	49.9	44%	0.439	27%	0.267	S	S	.	.			trans	-130.6	-1.7	176.4	69.4	-16.5	0	0	0	113	L312 Q313 I314	N59-L312 PolarHBondContact N-O 2.73Å; N59-L312 VanDerWaalsContact N-O 3.09Å; N59-L312 PolarHBondContact OD1-O 3.18Å; N59-Q313 PolarHBondContact ND2-NE2 3.32Å; N59-Q313 WeakPolarHBondContact OD1-CA 3.39Å; N59-Q313 PolarHBondContact OD1-NE2 3.23Å; N59-I314 PolarHBondContact ND2-O 3.43Å; N59-I314 PolarHBondContact OD1-N 3.16Å
60	F	97.2	Very high	92.3	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.8	-177	-161.4	-102.8	0	0	0	110.4	I62 D88 I89 I132 F160 L312 I314	F60-I62 HydrophobicContact CD1-CD1 4.38Å; F60-I62 HydrophobicContact CD1-CG1 4.02Å; F60-I62 HydrophobicContact CE1-CD1 4.03Å; F60-I62 HydrophobicContact CE1-CG1 3.73Å; F60-D88 WeakPolarHBondContact CA-OD2 3.39Å; F60-D88 HydrophobicContact CD2-CB 3.61Å; F60-D88 HydrophobicContact CE1-CB 4.26Å; F60-D88 HydrophobicContact CE2-CB 3.29Å; F60-D88 HydrophobicContact CG-CB 4.24Å; F60-D88 HydrophobicContact CZ-CB 3.66Å; F60-I89 HydrophobicContact CE1-CD1 3.82Å; F60-I89 HydrophobicContact CE1-CG1 4.16Å; F60-I89 HydrophobicContact CZ-CD1 3.72Å; F60-I89 HydrophobicContact CZ-CG1 3.83Å; F60-I132 HydrophobicContact CE2-CD1 3.75Å; F60-F160 HydrophobicContact CE1-CE1 4.4Å; F60-F160 AromaticContact CE1-CZ 3.76Å; F60-F160 HydrophobicContact CE1-CZ 3.76Å; F60-F160 HydrophobicContact CZ-CZ 4.26Å; F60-L312 HydrophobicContact CB-CG 4.25Å; F60-L312 HydrophobicContact CD1-CD1 4.39Å; F60-L312 HydrophobicContact CD1-CD2 3.96Å; F60-L312 HydrophobicContact CD1-CG 4.13Å; F60-L312 PolarHBondContact N-O 3.25Å; F60-L312 VanDerWaalsContact N-O 3.09Å; F60-L312 PolarHBondContact O-N 3.34Å; F60-I314 HydrophobicContact CB-CD1 3.86Å; F60-I314 HydrophobicContact CB-CG1 3.82Å; F60-I314 HydrophobicContact CD1-CD1 3.82Å; F60-I314 HydrophobicContact CD2-CD1 3.6Å; F60-I314 HydrophobicContact CD2-CG1 4.34Å; F60-I314 HydrophobicContact CE1-CD1 4.21Å; F60-I314 HydrophobicContact CE2-CD1 3.99Å; F60-I314 HydrophobicContact CG-CD1 3.49Å; F60-I314 VanDerWaalsContact CG-CD1 3.49Å; F60-I314 HydrophobicContact CG-CG1 4.05Å; F60-I314 HydrophobicContact CZ-CD1 4.28Å
61	K	97.7	Very high	93	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.3	-177.3	-176.7	167.5	64.5	172.7	0	111.7	W58 V63 E85 A87 D88 I89 V309 L310 Y311	W58-K61 HydrophobicContact CZ3-CB 4.17Å; K61-V63 HydrophobicContact CG-CG2 4.41Å; K61-E85 VanDerWaalsContact CE-O 3.23Å; K61-E85 WeakPolarHBondContact CE-O 3.45Å; K61-E85 WeakPolarHBondContact CE-OE1 3.13Å; K61-E85 PolarHBondContact NZ-O 2.82Å; K61-E85 IonicContact NZ-OE1 3.67Å; K61-E85 PolarHBondContact NZ-OE1 2.8Å; K61-A87 HydrophobicContact CG-CB 4.41Å; K61-D88 PolarHBondContact N-OD2 2.88Å; K61-D88 PolarHBondContact O-N 3Å; K61-I89 PolarHBondContact O-N 2.96Å; K61-V309 HydrophobicContact CD-CG1 3.65Å; K61-V309 HydrophobicContact CG-CG1 3.72Å; K61-L310 WeakPolarHBondContact CA-O 3.47Å; K61-Y311 HydrophobicContact CD-CD1 4.29Å; K61-Y311 HydrophobicContact CD-CE1 3.67Å; K61-Y311 HydrophobicContact CG-CD1 4.49Å; K61-Y311 HydrophobicContact CG-CE1 4.33Å
62	I	98.6	Very high	93.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.3	173.4	-53	171.6	0	0	0	108.6	F60 I89 F160 L162 I202 F281 L310 L312	F60-I62 HydrophobicContact CD1-CD1 4.38Å; F60-I62 HydrophobicContact CD1-CG1 4.02Å; F60-I62 HydrophobicContact CE1-CD1 4.03Å; F60-I62 HydrophobicContact CE1-CG1 3.73Å; I62-I89 WeakPolarHBondContact CA-O 3.31Å; I62-I89 HydrophobicContact CD1-CD1 4.46Å; I62-I89 HydrophobicContact CG1-CB 4.4Å; I62-I89 HydrophobicContact CG1-CD1 4.39Å; I62-I89 HydrophobicContact CG2-CB 4.28Å; I62-F160 HydrophobicContact CD1-CE2 4.26Å; I62-F160 HydrophobicContact CD1-CZ 4.4Å; I62-L162 HydrophobicContact CD1-CD1 4.3Å; I62-L162 HydrophobicContact CD1-CD2 4.44Å; I62-L162 HydrophobicContact CG2-CD1 4.29Å; I62-L162 HydrophobicContact CG2-CD2 4.1Å; I62-I202 HydrophobicContact CD1-CD1 3.87Å; I62-I202 HydrophobicContact CD1-CG2 4.42Å; I62-F281 HydrophobicContact CB-CE1 3.95Å; I62-F281 HydrophobicContact CB-CZ 4.05Å; I62-F281 HydrophobicContact CG2-CE1 3.62Å; I62-F281 HydrophobicContact CG2-CZ 3.8Å; I62-F281 WeakPolarHBondContact O-CZ 3.15Å; I62-L310 PolarHBondContact N-O 2.9Å; I62-L310 PolarHBondContact O-N 3.31Å; I62-L312 HydrophobicContact CD1-CD2 4.07Å; I62-L312 HydrophobicContact CG1-CD2 4.08Å
63	V	98.7	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.9	175.9	179.8	0	0	0	0	109.3	K61 E85 A87 I89 F90 C91 P307 V308 V309	K61-V63 HydrophobicContact CG-CG2 4.41Å; V63-E85 HydrophobicContact CG2-CG 3.75Å; V63-A87 HydrophobicContact CB-CB 4.18Å; V63-A87 HydrophobicContact CG2-CB 3.54Å; V63-I89 PolarHBondContact N-O 3.44Å; V63-F90 HydrophobicContact CB-CD2 3.72Å; V63-F90 HydrophobicContact CB-CE2 3.84Å; V63-F90 HydrophobicContact CB-CG 4.11Å; V63-F90 HydrophobicContact CB-CZ 4.3Å; V63-F90 HydrophobicContact CG1-CD1 4.46Å; V63-F90 HydrophobicContact CG1-CD2 3.84Å; V63-F90 HydrophobicContact CG1-CE1 4.06Å; V63-F90 HydrophobicContact CG1-CE2 3.4Å; V63-F90 HydrophobicContact CG1-CG 4.34Å; V63-F90 HydrophobicContact CG1-CZ 3.51Å; V63-F90 HydrophobicContact CG2-CD2 4.27Å; V63-F90 HydrophobicContact CG2-CE2 4.38Å; V63-C91 PolarHBondContact O-N 3.08Å; V63-P307 HydrophobicContact CG1-CB 3.94Å; V63-V308 WeakPolarHBondContact CA-O 3.44Å; V63-V309 HydrophobicContact CG1-CG2 4.37Å; V63-V309 HydrophobicContact CG2-CB 4.45Å; V63-V309 HydrophobicContact CG2-CG1 4.09Å; V63-V309 HydrophobicContact CG2-CG2 4Å
64	S	98.9	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.6	169.2	-166.9	0	0	0	0	111.2	C91 Q93 G205 P307 V308	S64-C91 CarbonylContact C-O 3.52Å; S64-C91 WeakPolarHBondContact CA-O 3.45Å; S64-Q93 PolarHBondContact OG-NE2 2.95Å; S64-Q93 PolarHBondContact OG-OE1 3.19Å; S64-Q93 VanDerWaalsContact OG-OE1 3.12Å; S64-G205 WeakPolarHBondContact OG-CA 3.41Å; S64-G205 PolarHBondContact OG-N 2.85Å; S64-P307 CarbonylContact O-C 3.55Å; S64-P307 VanDerWaalsContact O-CA 3.31Å; S64-P307 WeakPolarHBondContact O-CA 3.25Å; S64-V308 PolarHBondContact N-O 3.22Å; S64-V308 PolarHBondContact O-N 3.05Å
65	W	98.7	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	117.5	-179.8	-172.6	22.8	0	0	0	112.3	V67 V73 Y81 F90 C91 I92 Q93 H305 C306 P307	W65-V67 HydrophobicContact CB-CG1 4.48Å; W65-V67 HydrophobicContact CD2-CG1 3.81Å; W65-V67 HydrophobicContact CE3-CG1 3.75Å; W65-V67 HydrophobicContact CG-CG1 4.13Å; W65-V67 HydrophobicContact CZ3-CG1 4.36Å; W65-V67 PolarHBondContact O-N 2.72Å; W65-V73 HydrophobicContact CE3-CG2 4.38Å; W65-V73 HydrophobicContact CH2-CG2 3.3Å; W65-V73 HydrophobicContact CZ2-CG2 3.75Å; W65-V73 HydrophobicContact CZ3-CG2 3.65Å; W65-Y81 HydrophobicContact CE3-CD1 4.19Å; W65-Y81 HydrophobicContact CE3-CE1 4.46Å; W65-Y81 HydrophobicContact CH2-CD1 4.44Å; W65-Y81 AromaticContact CZ3-CD1 3.84Å; W65-Y81 HydrophobicContact CZ3-CD1 3.84Å; W65-F90 HydrophobicContact CB-CE1 4Å; W65-F90 HydrophobicContact CB-CZ 4.28Å; W65-F90 HydrophobicContact CE3-CE1 4.26Å; W65-F90 HydrophobicContact CE3-CZ 4.01Å; W65-C91 PolarHBondContact N-O 2.83Å; W65-I92 WeakPolarHBondContact O-CA 3.26Å; W65-Q93 PolarHBondContact O-N 3.26Å; W65-Q93 VanDerWaalsContact O-N 3.1Å; W65-Q93 PolarHBondContact O-OE1 2.8Å; W65-H305 PolarHBondContact NE1-O 3.09Å; W65-C306 VanDerWaalsContact CD1-C 3.44Å; W65-P307 HydrophobicContact CB-CB 4.17Å; W65-P307 HydrophobicContact CB-CG 4.26Å; W65-P307 HydrophobicContact CD2-CG 3.78Å; W65-P307 HydrophobicContact CE3-CG 4.25Å; W65-P307 HydrophobicContact CG-CB 4.2Å; W65-P307 HydrophobicContact CG-CG 3.8Å
66	N	98.6	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.4	163.1	-178.9	-20.5	0	0	0	109.1	N68 Q93 E94 D206 S303 H305	N66-N68 PolarHBondContact OD1-N 3.3Å; N66-Q93 HydrophobicContact CB-CB 4.07Å; N66-E94 PolarHBondContact ND2-OE1 2.86Å; N66-E94 VanDerWaalsContact OD1-CB 3.32Å; N66-E94 WeakPolarHBondContact OD1-CB 3.24Å; N66-E94 WeakPolarHBondContact OD1-CG 3.5Å; N66-D206 HydrophobicContact CB-CB 4.06Å; N66-D206 PolarHBondContact ND2-OD2 3.23Å; N66-S303 WeakPolarHBondContact O-CB 3.39Å; N66-S303 PolarHBondContact O-OG 3.48Å; N66-H305 HydrophobicContact CB-CB 3.95Å; N66-H305 PolarHBondContact ND2-NE2 3.06Å; N66-H305 WeakPolarHBondContact O-CB 3.35Å
67	V	98.1	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.			trans	-92.3	-2.1	-173.5	-63.6	0	0	0	0	113.9	W65 G69 V73 I92 Q93	W65-V67 HydrophobicContact CB-CG1 4.48Å; W65-V67 HydrophobicContact CD2-CG1 3.81Å; W65-V67 HydrophobicContact CE3-CG1 3.75Å; W65-V67 HydrophobicContact CG-CG1 4.13Å; W65-V67 HydrophobicContact CZ3-CG1 4.36Å; W65-V67 PolarHBondContact O-N 2.72Å; V67-G69 PolarHBondContact O-N 3.09Å; V67-V73 HydrophobicContact CB-CB 3.98Å; V67-V73 HydrophobicContact CB-CG1 4.18Å; V67-V73 HydrophobicContact CB-CG2 3.9Å; V67-V73 HydrophobicContact CG1-CB 4.37Å; V67-V73 HydrophobicContact CG1-CG1 4.24Å; V67-V73 HydrophobicContact CG1-CG2 3.99Å; V67-I92 HydrophobicContact CG1-CB 3.89Å; V67-I92 HydrophobicContact CG1-CG2 3.6Å; V67-I92 HydrophobicContact CG2-CB 4.27Å; V67-I92 HydrophobicContact CG2-CD1 4.18Å; V67-Q93 WeakPolarHBondContact CG2-O 3.49Å; V67-Q93 PolarHBondContact N-O 3.13Å
68	N	97.1	Very high	96.4	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	19%	0.187	C	C	.	.	S	Bend	trans	45.1	41.3	-178.5	-164.4	-5.2	0	0	0	113.7	N66 K96 D304	N66-N68 PolarHBondContact OD1-N 3.3Å; N68-K96 PolarHBondContact OD1-NZ 2.96Å; N68-D304 WeakPolarHBondContact CB-OD1 3.29Å; N68-D304 PolarHBondContact ND2-OD1 3.34Å; N68-D304 PolarHBondContact ND2-OD2 3.25Å
69	G	97.2	Very high	96.4	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	17%	0.172	C	C	.	.			trans	104.2	113.5	-179.6	0	0	0	0	0	113.7	V67 R71 A72 V73 E94	V67-G69 PolarHBondContact O-N 3.09Å; G69-R71 PolarHBondContact O-N 3.05Å; G69-A72 WeakPolarHBondContact O-CB 3.39Å; G69-A72 PolarHBondContact O-N 3.06Å; G69-V73 PolarHBondContact O-N 2.94Å; G69-E94 VanDerWaalsContact CA-O 3.26Å; G69-E94 WeakPolarHBondContact CA-O 3.42Å; G69-E94 PolarHBondContact N-O 3.48Å
70	I	96.8	Very high	96.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-52.9	-32.8	-176.3	-170.3	63.2	0	0	0	113.9	V73 I74 M79 I92 T95 C97 A106 W115	I70-V73 HydrophobicContact CD1-CG1 4Å; I70-I74 HydrophobicContact CG1-CD1 3.98Å; I70-I74 WeakPolarHBondContact O-CB 3.24Å; I70-I74 WeakPolarHBondContact O-CD1 3.26Å; I70-I74 WeakPolarHBondContact O-CG1 3.36Å; I70-I74 PolarHBondContact O-N 2.86Å; I70-M79 HydrophobicContact CD1-SD 4.22Å; I70-I92 HydrophobicContact CD1-CD1 3.85Å; I70-T95 WeakPolarHBondContact CG2-O 3.32Å; I70-T95 PolarHBondContact N-O 3.17Å; I70-C97 HydrophobicContact CG2-CB 3.7Å; I70-A106 HydrophobicContact CD1-CB 4.13Å; I70-A106 HydrophobicContact CG1-CB 3.92Å; I70-W115 HydrophobicContact CD1-CH2 4.1Å; I70-W115 HydrophobicContact CG1-CH2 4.06Å; I70-W115 HydrophobicContact CG1-CZ3 4.42Å
71	R	96.3	Very high	96.1	Very high	120 Å²	120	35.7 Å²	35.7	45%	0.453	18%	0.176	S	C	.	.	H	α-helix	trans	-72	-33.2	178.2	-66.2	-175.5	-172.9	75.1	11	113.2	G69 K75 C97 K101 P103	G69-R71 PolarHBondContact O-N 3.05Å; R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 PolarHBondContact O-N 3.39Å; R71-K75 VanDerWaalsContact O-N 3.16Å; R71-C97 PolarHBondContact NH2-SG 3.17Å; R71-K101 PolarHBondContact NH2-O 2.65Å; R71-P103 HydrophobicContact CG-CG 4.07Å
72	A	95.4	Very high	96	Very high	43 Å²	43	34.6 Å²	34.6	36%	0.355	17%	0.171	S	C	.	.	H	α-helix	trans	-69.7	-45	174.8	0	0	0	0	0	109.9	G69 I74 K75 N76	G69-A72 WeakPolarHBondContact O-CB 3.39Å; G69-A72 PolarHBondContact O-N 3.06Å; A72-I74 PolarHBondContact O-N 3.32Å; A72-K75 WeakPolarHBondContact O-CB 3.31Å; A72-K75 PolarHBondContact O-N 2.89Å; A72-N76 WeakPolarHBondContact O-CB 3.45Å; A72-N76 VanDerWaalsContact O-CG 3.28Å; A72-N76 PolarHBondContact O-N 2.82Å; A72-N76 PolarHBondContact O-ND2 2.87Å
73	V	95	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-38.7	178	107.4	0	0	0	0	112.5	W65 V67 G69 I70 N76 N77 G78 M79	W65-V73 HydrophobicContact CE3-CG2 4.38Å; W65-V73 HydrophobicContact CH2-CG2 3.3Å; W65-V73 HydrophobicContact CZ2-CG2 3.75Å; W65-V73 HydrophobicContact CZ3-CG2 3.65Å; V67-V73 HydrophobicContact CB-CB 3.98Å; V67-V73 HydrophobicContact CB-CG1 4.18Å; V67-V73 HydrophobicContact CB-CG2 3.9Å; V67-V73 HydrophobicContact CG1-CB 4.37Å; V67-V73 HydrophobicContact CG1-CG1 4.24Å; V67-V73 HydrophobicContact CG1-CG2 3.99Å; G69-V73 PolarHBondContact O-N 2.94Å; I70-V73 HydrophobicContact CD1-CG1 4Å; V73-N76 CarbonylContact O-C 3.56Å; V73-N76 PolarHBondContact O-N 2.53Å; V73-N77 PolarHBondContact O-N 2.63Å; V73-G78 WeakPolarHBondContact O-CA 3.47Å; V73-G78 PolarHBondContact O-N 3.07Å; V73-M79 HydrophobicContact CG1-SD 4.46Å
74	I	95.9	Very high	95.4	Very high	34 Å²	34	45.3 Å²	45.3	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-48.5	172.4	-72.2	160.9	0	0	0	110.7	I70 A72 N76 N77 M79 P103 E105 A106	I70-I74 HydrophobicContact CG1-CD1 3.98Å; I70-I74 WeakPolarHBondContact O-CB 3.24Å; I70-I74 WeakPolarHBondContact O-CD1 3.26Å; I70-I74 WeakPolarHBondContact O-CG1 3.36Å; I70-I74 PolarHBondContact O-N 2.86Å; A72-I74 PolarHBondContact O-N 3.32Å; I74-N76 PolarHBondContact O-N 3.3Å; I74-N77 PolarHBondContact O-N 2.69Å; I74-M79 HydrophobicContact CB-CG 4.43Å; I74-M79 HydrophobicContact CG1-CG 3.59Å; I74-M79 HydrophobicContact CG1-SD 3.98Å; I74-P103 HydrophobicContact CD1-CB 3.77Å; I74-P103 HydrophobicContact CD1-CG 3.76Å; I74-E105 HydrophobicContact CD1-CB 4.31Å; I74-E105 HydrophobicContact CG2-CB 4.14Å; I74-A106 HydrophobicContact CD1-CB 4.21Å
75	K	95.3	Very high	95.3	Very high	175 Å²	175	45.5 Å²	45.5	76%	0.761	22%	0.219	S	C	*	.	H	α-helix	trans	-59.4	-33.7	178.5	-172.8	-169.3	172.7	-164.4	0	112.1	R71 A72 N77	R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 PolarHBondContact O-N 3.39Å; R71-K75 VanDerWaalsContact O-N 3.16Å; A72-K75 WeakPolarHBondContact O-CB 3.31Å; A72-K75 PolarHBondContact O-N 2.89Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 3.31Å
76	N	93.3	Very high	95	Very high	52 Å²	52	49.9 Å²	49.9	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	26.4	-179.6	-60.5	-25.4	0	0	0	113	A72 V73 I74 G78 G302	A72-N76 WeakPolarHBondContact O-CB 3.45Å; A72-N76 VanDerWaalsContact O-CG 3.28Å; A72-N76 PolarHBondContact O-N 2.82Å; A72-N76 PolarHBondContact O-ND2 2.87Å; V73-N76 CarbonylContact O-C 3.56Å; V73-N76 PolarHBondContact O-N 2.53Å; I74-N76 PolarHBondContact O-N 3.3Å; N76-G78 PolarHBondContact O-N 2.98Å; N76-G302 PolarHBondContact ND2-O 3.03Å
77	N	92.1	Very high	95	Very high	116 Å²	116	49.9 Å²	49.9	62%	0.62	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	15.7	179	-61.3	-37.6	0	0	0	116.3	V73 I74 K75 M79 E80 Y81	V73-N77 PolarHBondContact O-N 2.63Å; I74-N77 PolarHBondContact O-N 2.69Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 3.31Å; N77-M79 PolarHBondContact O-N 2.75Å; N77-M79 VanDerWaalsContact O-N 3.11Å; N77-E80 WeakPolarHBondContact O-CB 3.49Å; N77-E80 PolarHBondContact O-N 3.05Å; N77-Y81 PolarHBondContact O-N 3.03Å
78	G	93.2	Very high	95	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-21.8	-178.6	0	0	0	0	0	114.6	V73 N76 Y81 I82	V73-G78 WeakPolarHBondContact O-CA 3.47Å; V73-G78 PolarHBondContact O-N 3.07Å; N76-G78 PolarHBondContact O-N 2.98Å; G78-Y81 WeakPolarHBondContact O-CB 3.45Å; G78-Y81 PolarHBondContact O-N 2.72Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 3.25Å
79	M	93.9	Very high	95.1	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.044	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-31.4	172.6	-58.4	-51.3	-51.6	0	0	112.7	I70 V73 I74 N77 Y81 I82 K83 E105 A106 V108	I70-M79 HydrophobicContact CD1-SD 4.22Å; V73-M79 HydrophobicContact CG1-SD 4.46Å; I74-M79 HydrophobicContact CB-CG 4.43Å; I74-M79 HydrophobicContact CG1-CG 3.59Å; I74-M79 HydrophobicContact CG1-SD 3.98Å; N77-M79 PolarHBondContact O-N 2.75Å; N77-M79 VanDerWaalsContact O-N 3.11Å; M79-Y81 VanDerWaalsContact C-N 3.35Å; M79-I82 HydrophobicContact CE-CD1 3.84Å; M79-I82 PolarHBondContact O-N 3.36Å; M79-I82 HydrophobicContact SD-CD1 3.86Å; M79-K83 WeakPolarHBondContact O-CG 3.35Å; M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.15Å; M79-E105 WeakPolarHBondContact CG-O 3.22Å; M79-A106 WeakPolarHBondContact CE-O 3.47Å; M79-V108 HydrophobicContact CE-CG2 3.48Å; M79-V108 VanDerWaalsContact CE-CG2 3.48Å
80	E	92.9	Very high	95.1	Very high	103 Å²	103	49.1 Å²	49.1	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-71.1	-34.2	171.9	-60.8	-47.8	124.4	0	0	111	N77 K83 K84	N77-E80 WeakPolarHBondContact O-CB 3.49Å; N77-E80 PolarHBondContact O-N 3.05Å; E80-K83 PolarHBondContact O-N 2.97Å; E80-K83 IonicContact OE1-NZ 2.69Å; E80-K83 PolarHBondContact OE1-NZ 2.79Å; E80-K83 WeakPolarHBondContact OE2-CD 3.43Å; E80-K83 IonicContact OE2-NZ 3.17Å; E80-K83 PolarHBondContact OE2-NZ 3.37Å; E80-K84 VanDerWaalsContact O-CB 3.28Å; E80-K84 WeakPolarHBondContact O-CB 3.47Å; E80-K84 PolarHBondContact O-N 2.84Å
81	Y	94.5	Very high	95.2	Very high	23 Å²	23	49.1 Å²	49.1	9%	0.09	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-47.7	169.6	172.1	-97.7	0	0	0	112	P48 W65 N77 G78 M79 K83 K84 E85 F90 V300 P307	P48-Y81 HydrophobicContact CG-CD2 4.27Å; P48-Y81 HydrophobicContact CG-CE2 3.66Å; W65-Y81 HydrophobicContact CE3-CD1 4.19Å; W65-Y81 HydrophobicContact CE3-CE1 4.46Å; W65-Y81 HydrophobicContact CH2-CD1 4.44Å; W65-Y81 AromaticContact CZ3-CD1 3.84Å; W65-Y81 HydrophobicContact CZ3-CD1 3.84Å; N77-Y81 PolarHBondContact O-N 3.03Å; G78-Y81 WeakPolarHBondContact O-CB 3.45Å; G78-Y81 PolarHBondContact O-N 2.72Å; M79-Y81 VanDerWaalsContact C-N 3.35Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.23Å; Y81-K84 PolarHBondContact O-N 3.11Å; Y81-K84 VanDerWaalsContact O-N 3.15Å; Y81-E85 HydrophobicContact CE1-CB 4.25Å; Y81-E85 HydrophobicContact CE2-CB 4.11Å; Y81-E85 WeakPolarHBondContact O-CB 3.16Å; Y81-E85 PolarHBondContact O-N 2.92Å; Y81-E85 PolarHBondContact OH-OE2 3.18Å; Y81-F90 HydrophobicContact CD1-CE2 4.28Å; Y81-F90 HydrophobicContact CD1-CZ 4.19Å; Y81-F90 AromaticContact CE1-CE2 3.77Å; Y81-F90 HydrophobicContact CE1-CE2 3.77Å; Y81-F90 AromaticContact CE1-CZ 3.76Å; Y81-F90 HydrophobicContact CE1-CZ 3.76Å; Y81-V300 HydrophobicContact CD1-CG1 4.18Å; Y81-V300 HydrophobicContact CD2-CG1 3.71Å; Y81-V300 HydrophobicContact CD2-CG2 3.96Å; Y81-V300 HydrophobicContact CE1-CG1 4.31Å; Y81-V300 HydrophobicContact CE2-CB 4.29Å; Y81-V300 HydrophobicContact CE2-CG1 3.84Å; Y81-V300 HydrophobicContact CE2-CG2 3.53Å; Y81-V300 HydrophobicContact CG-CG1 3.89Å; Y81-P307 HydrophobicContact CD1-CG 4.22Å; Y81-P307 HydrophobicContact CE1-CB 3.98Å; Y81-P307 HydrophobicContact CE1-CG 3.35Å; Y81-P307 WeakPolarHBondContact OH-CB 3.46Å; Y81-P307 WeakPolarHBondContact OH-CG 3.31Å
82	I	94.6	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-40	177.7	-68.9	162.7	0	0	0	111.7	G78 M79 N86 F90 V108 Y111	G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 3.25Å; M79-I82 HydrophobicContact CE-CD1 3.84Å; M79-I82 PolarHBondContact O-N 3.36Å; M79-I82 HydrophobicContact SD-CD1 3.86Å; I82-N86 PolarHBondContact O-N 2.76Å; I82-F90 HydrophobicContact CB-CD2 4.37Å; I82-F90 HydrophobicContact CB-CE2 4.24Å; I82-F90 HydrophobicContact CD1-CE1 4.34Å; I82-F90 HydrophobicContact CD1-CZ 4.49Å; I82-F90 HydrophobicContact CG1-CD1 4.24Å; I82-F90 HydrophobicContact CG1-CD2 4.12Å; I82-F90 HydrophobicContact CG1-CE1 3.88Å; I82-F90 HydrophobicContact CG1-CE2 3.72Å; I82-F90 HydrophobicContact CG1-CG 4.38Å; I82-F90 HydrophobicContact CG1-CZ 3.6Å; I82-F90 HydrophobicContact CG2-CD2 4.02Å; I82-F90 HydrophobicContact CG2-CE2 4.4Å; I82-F90 HydrophobicContact CG2-CG 4.21Å; I82-V108 HydrophobicContact CG2-CG2 4.1Å; I82-Y111 HydrophobicContact CG2-CE2 4.43Å
83	K	93.3	Very high	95.5	Very high	92 Å²	92	41.3 Å²	41.3	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-47.8	174.3	-68.7	167.4	-173.4	173	0	111.9	M79 E80 Y81 N86 V108	M79-K83 WeakPolarHBondContact O-CG 3.35Å; M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.15Å; E80-K83 PolarHBondContact O-N 2.97Å; E80-K83 IonicContact OE1-NZ 2.69Å; E80-K83 PolarHBondContact OE1-NZ 2.79Å; E80-K83 WeakPolarHBondContact OE2-CD 3.43Å; E80-K83 IonicContact OE2-NZ 3.17Å; E80-K83 PolarHBondContact OE2-NZ 3.37Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.23Å; K83-N86 WeakPolarHBondContact O-CB 3.09Å; K83-N86 PolarHBondContact O-N 3.45Å; K83-V108 HydrophobicContact CG-CG1 3.87Å
84	K	93.1	Very high	95.6	Very high	133 Å²	133	42.4 Å²	42.4	58%	0.578	20%	0.202	S	C	*	.	H	α-helix	trans	-67.4	-42.9	-176.1	-172.3	-179.6	-170.2	-179.1	0	112.8	E49 E80 Y81 N86	E49-K84 VanDerWaalsContact OE1-CE 3.25Å; E49-K84 WeakPolarHBondContact OE1-CE 3.4Å; E49-K84 IonicContact OE1-NZ 3.17Å; E49-K84 PolarHBondContact OE1-NZ 2.78Å; E80-K84 VanDerWaalsContact O-CB 3.28Å; E80-K84 WeakPolarHBondContact O-CB 3.47Å; E80-K84 PolarHBondContact O-N 2.84Å; Y81-K84 PolarHBondContact O-N 3.11Å; Y81-K84 VanDerWaalsContact O-N 3.15Å; K84-N86 PolarHBondContact O-N 2.87Å
85	E	94.9	Very high	95.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-29.4	176.3	-176	64.7	-122	0	0	110.8	P48 K61 V63 Y81 A87 R297	P48-E85 WeakPolarHBondContact CG-OE2 3.14Å; K61-E85 VanDerWaalsContact CE-O 3.23Å; K61-E85 WeakPolarHBondContact CE-O 3.45Å; K61-E85 WeakPolarHBondContact CE-OE1 3.13Å; K61-E85 PolarHBondContact NZ-O 2.82Å; K61-E85 IonicContact NZ-OE1 3.67Å; K61-E85 PolarHBondContact NZ-OE1 2.8Å; V63-E85 HydrophobicContact CG2-CG 3.75Å; Y81-E85 HydrophobicContact CE1-CB 4.25Å; Y81-E85 HydrophobicContact CE2-CB 4.11Å; Y81-E85 WeakPolarHBondContact O-CB 3.16Å; Y81-E85 PolarHBondContact O-N 2.92Å; Y81-E85 PolarHBondContact OH-OE2 3.18Å; E85-A87 PolarHBondContact O-N 3.25Å; E85-A87 VanDerWaalsContact O-N 3.12Å; E85-R297 IonicContact OE1-CZ 2.98Å; E85-R297 IonicContact OE1-NE 3.95Å; E85-R297 IonicContact OE1-NH2 2.75Å; E85-R297 PolarHBondContact OE1-NH2 3.42Å; E85-R297 IonicContact OE2-CZ 2.69Å; E85-R297 IonicContact OE2-NE 3.6Å; E85-R297 PolarHBondContact OE2-NE 3.07Å; E85-R297 IonicContact OE2-NH2 2.72Å
86	N	94.4	Very high	95.8	Very high	92 Å²	92	34.9 Å²	34.9	49%	0.492	17%	0.168	S	C	.	.			trans	51.9	40.4	167.5	-170.7	25.2	0	0	0	113.7	I82 K83 K84 K131	I82-N86 PolarHBondContact O-N 2.76Å; K83-N86 WeakPolarHBondContact O-CB 3.09Å; K83-N86 PolarHBondContact O-N 3.45Å; K84-N86 PolarHBondContact O-N 2.87Å; N86-K131 PolarHBondContact O-NZ 2.64Å; N86-K131 WeakPolarHBondContact OD1-CE 3.42Å; N86-K131 PolarHBondContact OD1-NZ 3.39Å
87	A	97.4	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.			trans	-63.4	161.3	175.8	0	0	0	0	0	111.9	K61 V63 E85 I89 F90 Y111 K131	K61-A87 HydrophobicContact CG-CB 4.41Å; V63-A87 HydrophobicContact CB-CB 4.18Å; V63-A87 HydrophobicContact CG2-CB 3.54Å; E85-A87 PolarHBondContact O-N 3.25Å; E85-A87 VanDerWaalsContact O-N 3.12Å; A87-I89 WeakPolarHBondContact CB-O 3.35Å; A87-F90 HydrophobicContact CB-CD2 4.35Å; A87-Y111 PolarHBondContact N-OH 2.98Å; A87-Y111 VanDerWaalsContact O-CE1 3.25Å; A87-Y111 WeakPolarHBondContact O-CE1 3.29Å; A87-Y111 PolarHBondContact O-OH 3.4Å; A87-K131 WeakPolarHBondContact O-CE 3.5Å; A87-K131 PolarHBondContact O-NZ 3.35Å
88	D	98.1	Very high	96.1	Very high	32 Å²	32	28.1 Å²	28.1	17%	0.171	13%	0.133	C	C	.	.	S	Bend	trans	-81.3	-33.2	173.6	-56.4	-60.5	0	0	0	111.1	F60 K61 K131	F60-D88 WeakPolarHBondContact CA-OD2 3.39Å; F60-D88 HydrophobicContact CD2-CB 3.61Å; F60-D88 HydrophobicContact CE1-CB 4.26Å; F60-D88 HydrophobicContact CE2-CB 3.29Å; F60-D88 HydrophobicContact CG-CB 4.24Å; F60-D88 HydrophobicContact CZ-CB 3.66Å; K61-D88 PolarHBondContact N-OD2 2.88Å; K61-D88 PolarHBondContact O-N 3Å; D88-K131 PolarHBondContact O-N 3.01Å; D88-K131 IonicContact OD1-NZ 3.92Å; D88-K131 PolarHBondContact OD1-NZ 3.05Å
89	I	98.6	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.8	166.8	-47	168	0	0	0	109.5	F60 K61 I62 V63 A87 L128 F129 Y157 F160 L162	F60-I89 HydrophobicContact CE1-CD1 3.82Å; F60-I89 HydrophobicContact CE1-CG1 4.16Å; F60-I89 HydrophobicContact CZ-CD1 3.72Å; F60-I89 HydrophobicContact CZ-CG1 3.83Å; K61-I89 PolarHBondContact O-N 2.96Å; I62-I89 WeakPolarHBondContact CA-O 3.31Å; I62-I89 HydrophobicContact CD1-CD1 4.46Å; I62-I89 HydrophobicContact CG1-CB 4.4Å; I62-I89 HydrophobicContact CG1-CD1 4.39Å; I62-I89 HydrophobicContact CG2-CB 4.28Å; V63-I89 PolarHBondContact N-O 3.44Å; A87-I89 WeakPolarHBondContact CB-O 3.35Å; I89-L128 HydrophobicContact CG2-CD1 4.24Å; I89-L128 HydrophobicContact CG2-CD2 3.86Å; I89-L128 HydrophobicContact CG2-CG 3.83Å; I89-F129 CarbonylContact C-O 3.56Å; I89-F129 VanDerWaalsContact CA-O 3.3Å; I89-F129 WeakPolarHBondContact CA-O 3.4Å; I89-F129 WeakPolarHBondContact CG2-O 3.23Å; I89-Y157 HydrophobicContact CD1-CD2 4.22Å; I89-Y157 HydrophobicContact CD1-CE1 4.08Å; I89-Y157 HydrophobicContact CD1-CE2 3.48Å; I89-Y157 VanDerWaalsContact CD1-CE2 3.48Å; I89-Y157 VanDerWaalsContact CD1-CZ 3.41Å; I89-Y157 WeakPolarHBondContact CD1-OH 3.31Å; I89-F160 HydrophobicContact CD1-CE2 4.26Å; I89-F160 HydrophobicContact CD1-CZ 4.28Å; I89-L162 HydrophobicContact CB-CD2 4.1Å; I89-L162 HydrophobicContact CD1-CD2 3.63Å; I89-L162 HydrophobicContact CG1-CD2 4.45Å; I89-L162 HydrophobicContact CG2-CD2 3.56Å
90	F	98.6	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.1	174.6	-158.4	-62.5	0	0	0	109.2	V63 W65 Y81 I82 A87 I92 F129	V63-F90 HydrophobicContact CB-CD2 3.72Å; V63-F90 HydrophobicContact CB-CE2 3.84Å; V63-F90 HydrophobicContact CB-CG 4.11Å; V63-F90 HydrophobicContact CB-CZ 4.3Å; V63-F90 HydrophobicContact CG1-CD1 4.46Å; V63-F90 HydrophobicContact CG1-CD2 3.84Å; V63-F90 HydrophobicContact CG1-CE1 4.06Å; V63-F90 HydrophobicContact CG1-CE2 3.4Å; V63-F90 HydrophobicContact CG1-CG 4.34Å; V63-F90 HydrophobicContact CG1-CZ 3.51Å; V63-F90 HydrophobicContact CG2-CD2 4.27Å; V63-F90 HydrophobicContact CG2-CE2 4.38Å; W65-F90 HydrophobicContact CB-CE1 4Å; W65-F90 HydrophobicContact CB-CZ 4.28Å; W65-F90 HydrophobicContact CE3-CE1 4.26Å; W65-F90 HydrophobicContact CE3-CZ 4.01Å; Y81-F90 HydrophobicContact CD1-CE2 4.28Å; Y81-F90 HydrophobicContact CD1-CZ 4.19Å; Y81-F90 AromaticContact CE1-CE2 3.77Å; Y81-F90 HydrophobicContact CE1-CE2 3.77Å; Y81-F90 AromaticContact CE1-CZ 3.76Å; Y81-F90 HydrophobicContact CE1-CZ 3.76Å; I82-F90 HydrophobicContact CB-CD2 4.37Å; I82-F90 HydrophobicContact CB-CE2 4.24Å; I82-F90 HydrophobicContact CD1-CE1 4.34Å; I82-F90 HydrophobicContact CD1-CZ 4.49Å; I82-F90 HydrophobicContact CG1-CD1 4.24Å; I82-F90 HydrophobicContact CG1-CD2 4.12Å; I82-F90 HydrophobicContact CG1-CE1 3.88Å; I82-F90 HydrophobicContact CG1-CE2 3.72Å; I82-F90 HydrophobicContact CG1-CG 4.38Å; I82-F90 HydrophobicContact CG1-CZ 3.6Å; I82-F90 HydrophobicContact CG2-CD2 4.02Å; I82-F90 HydrophobicContact CG2-CE2 4.4Å; I82-F90 HydrophobicContact CG2-CG 4.21Å; A87-F90 HydrophobicContact CB-CD2 4.35Å; F90-I92 HydrophobicContact CD1-CG2 3.85Å; F90-I92 HydrophobicContact CE1-CG2 3.65Å; F90-F129 HydrophobicContact CB-CB 4.24Å; F90-F129 HydrophobicContact CB-CD2 4.47Å; F90-F129 PolarHBondContact N-O 2.86Å; F90-F129 WeakPolarHBondContact O-CD2 3.25Å; F90-F129 PolarHBondContact O-N 2.99Å
91	C	98.8	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.9	179.5	-65.8	0	0	0	0	110.4	V63 S64 W65 T164 C204	V63-C91 PolarHBondContact O-N 3.08Å; S64-C91 CarbonylContact C-O 3.52Å; S64-C91 WeakPolarHBondContact CA-O 3.45Å; W65-C91 PolarHBondContact N-O 2.83Å; C91-T164 HydrophobicContact CB-CG2 4.42Å; C91-C204 VanDerWaalsContact SG-SG 3.65Å
92	I	98.5	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.9	173.8	61.1	169.4	0	0	0	112.8	W65 V67 I70 F90 T95 W115 T126 A127 F129	W65-I92 WeakPolarHBondContact O-CA 3.26Å; V67-I92 HydrophobicContact CG1-CB 3.89Å; V67-I92 HydrophobicContact CG1-CG2 3.6Å; V67-I92 HydrophobicContact CG2-CB 4.27Å; V67-I92 HydrophobicContact CG2-CD1 4.18Å; I70-I92 HydrophobicContact CD1-CD1 3.85Å; F90-I92 HydrophobicContact CD1-CG2 3.85Å; F90-I92 HydrophobicContact CE1-CG2 3.65Å; I92-T95 HydrophobicContact CD1-CG2 3.83Å; I92-T95 HydrophobicContact CG1-CG2 3.98Å; I92-W115 HydrophobicContact CD1-CH2 4.24Å; I92-W115 HydrophobicContact CD1-CZ3 4.37Å; I92-T126 CarbonylContact O-C 3.42Å; I92-T126 VanDerWaalsContact O-CA 3.31Å; I92-T126 WeakPolarHBondContact O-CA 3.35Å; I92-A127 HydrophobicContact CD1-CB 4.03Å; I92-A127 HydrophobicContact CG1-CB 3.67Å; I92-A127 PolarHBondContact N-O 2.92Å; I92-A127 PolarHBondContact O-N 2.83Å; I92-F129 HydrophobicContact CD1-CE2 3.79Å; I92-F129 HydrophobicContact CD1-CZ 4.27Å; I92-F129 HydrophobicContact CG1-CE2 3.98Å; I92-F129 HydrophobicContact CG2-CE2 4.47Å
93	Q	98.8	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	161.6	176.9	-60.3	78.5	32.2	0	0	110.9	S64 W65 N66 V67 T95 T126 T164 A165 Y166 G205	S64-Q93 PolarHBondContact OG-NE2 2.95Å; S64-Q93 PolarHBondContact OG-OE1 3.19Å; S64-Q93 VanDerWaalsContact OG-OE1 3.12Å; W65-Q93 PolarHBondContact O-N 3.26Å; W65-Q93 VanDerWaalsContact O-N 3.1Å; W65-Q93 PolarHBondContact O-OE1 2.8Å; N66-Q93 HydrophobicContact CB-CB 4.07Å; V67-Q93 WeakPolarHBondContact CG2-O 3.49Å; V67-Q93 PolarHBondContact N-O 3.13Å; Q93-T95 PolarHBondContact O-N 3.42Å; Q93-T126 HydrophobicContact CG-CG2 4.28Å; Q93-T164 PolarHBondContact NE2-OG1 3.32Å; Q93-A165 WeakPolarHBondContact CG-O 3.25Å; Q93-Y166 HydrophobicContact CB-CD2 4.31Å; Q93-Y166 HydrophobicContact CB-CG 4.34Å; Q93-G205 VanDerWaalsContact CD-CA 3.49Å
94	E	98	Very high	96.5	Very high	22 Å²	22	42 Å²	42	10%	0.103	21%	0.213	C	C	.	.			trans	48.7	53.2	-172	-61.2	-163.2	-139.5	0	0	114.2	N66 G69 K96 A124 G125 Y166	N66-E94 PolarHBondContact ND2-OE1 2.86Å; N66-E94 VanDerWaalsContact OD1-CB 3.32Å; N66-E94 WeakPolarHBondContact OD1-CB 3.24Å; N66-E94 WeakPolarHBondContact OD1-CG 3.5Å; G69-E94 VanDerWaalsContact CA-O 3.26Å; G69-E94 WeakPolarHBondContact CA-O 3.42Å; G69-E94 PolarHBondContact N-O 3.48Å; E94-K96 HydrophobicContact CB-CG 4.41Å; E94-K96 PolarHBondContact O-N 2.84Å; E94-K96 VanDerWaalsContact O-N 3.16Å; E94-K96 WeakPolarHBondContact OE2-CE 3.35Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.17Å; E94-A124 CarbonylContact C-O 3.54Å; E94-A124 WeakPolarHBondContact CA-O 3.4Å; E94-G125 WeakPolarHBondContact CA-O 3.23Å; E94-G125 PolarHBondContact N-O 3Å; E94-Y166 HydrophobicContact CG-CD1 4.07Å; E94-Y166 HydrophobicContact CG-CD2 3.94Å; E94-Y166 HydrophobicContact CG-CE1 3.61Å; E94-Y166 HydrophobicContact CG-CE2 3.42Å; E94-Y166 VanDerWaalsContact CG-CE2 3.42Å; E94-Y166 HydrophobicContact CG-CG 4.25Å; E94-Y166 WeakPolarHBondContact OE1-CE2 3.13Å; E94-Y166 PolarHBondContact OE1-OH 2.85Å
95	T	97.9	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.			trans	-60.5	-27.6	175.8	65.5	0	0	0	0	112.3	I70 I92 Q93 C97 W115 A124 G125 A127	I70-T95 WeakPolarHBondContact CG2-O 3.32Å; I70-T95 PolarHBondContact N-O 3.17Å; I92-T95 HydrophobicContact CD1-CG2 3.83Å; I92-T95 HydrophobicContact CG1-CG2 3.98Å; Q93-T95 PolarHBondContact O-N 3.42Å; T95-C97 WeakPolarHBondContact O-CB 3.23Å; T95-C97 PolarHBondContact O-N 2.68Å; T95-W115 HydrophobicContact CG2-CE3 4.12Å; T95-W115 HydrophobicContact CG2-CZ3 3.83Å; T95-A124 PolarHBondContact N-O 2.89Å; T95-G125 PolarHBondContact N-O 3.06Å; T95-A127 HydrophobicContact CG2-CB 4.07Å
96	K	97.4	Very high	96.6	Very high	52 Å²	52	40.8 Å²	40.8	23%	0.226	21%	0.209	C	C	.	.			trans	51.7	26.9	179.5	-67.3	176.3	174.5	161	0	113.3	N68 E94 G122 A124	N68-K96 PolarHBondContact OD1-NZ 2.96Å; E94-K96 HydrophobicContact CB-CG 4.41Å; E94-K96 PolarHBondContact O-N 2.84Å; E94-K96 VanDerWaalsContact O-N 3.16Å; E94-K96 WeakPolarHBondContact OE2-CE 3.35Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.17Å; K96-G122 WeakPolarHBondContact O-CA 3.42Å; K96-G122 PolarHBondContact O-N 2.94Å; K96-A124 WeakPolarHBondContact CA-O 3.23Å; K96-A124 PolarHBondContact N-O 3.33Å
97	C	96.4	Very high	96.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.02	22%	0.215	C	C	.	.			trans	-131.1	125.2	-169.8	-167.8	0	0	0	0	111.6	I70 R71 T95 K101 S117	I70-C97 HydrophobicContact CG2-CB 3.7Å; R71-C97 PolarHBondContact NH2-SG 3.17Å; T95-C97 WeakPolarHBondContact O-CB 3.23Å; T95-C97 PolarHBondContact O-N 2.68Å; C97-K101 VanDerWaalsContact SG-C 3.5Å; C97-K101 PolarHBondContact SG-O 3.26Å; C97-K101 VanDerWaalsContact SG-O 3.34Å; C97-S117 WeakPolarHBondContact O-CB 3.3Å; C97-S117 PolarHBondContact O-OG 2.9Å
98	P	94.8	Very high	96.3	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.143	22%	0.216	C	C	.	.			trans	-62.8	144.3	166.9	-21.4	33.7	0	0	0	111.5	H100 K101 I102 A121	P98-H100 VanDerWaalsContact C-N 3.31Å; P98-H100 PolarHBondContact O-N 2.99Å; P98-K101 PolarHBondContact O-N 2.84Å; P98-I102 PolarHBondContact O-N 3.33Å; P98-A121 HydrophobicContact CG-CB 3.83Å
99	L	94.5	Very high	96.1	Very high	99 Å²	99	48.1 Å²	48.1	52%	0.518	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-48.7	-48.1	-177.9	-61.7	177.7	0	0	0	113.1	K101 I102 W115 S117	L99-K101 PolarHBondContact O-N 2.85Å; L99-I102 HydrophobicContact CD2-CD1 4.16Å; L99-I102 WeakPolarHBondContact O-CD1 3.28Å; L99-I102 WeakPolarHBondContact O-CG1 3.47Å; L99-I102 PolarHBondContact O-N 3.17Å; L99-W115 HydrophobicContact CD2-CB 3.51Å; L99-S117 WeakPolarHBondContact CD2-OG 3.23Å; L99-S117 WeakPolarHBondContact CG-OG 3.48Å; L99-S117 PolarHBondContact N-OG 3.35Å; L99-S117 VanDerWaalsContact N-OG 3.09Å
100	H	94.3	Very high	95.9	Very high	153 Å²	153	51.5 Å²	51.5	71%	0.708	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.9	1.2	-179.2	70.9	-91.9	0	0	0	114.7	P98	P98-H100 VanDerWaalsContact C-N 3.31Å; P98-H100 PolarHBondContact O-N 2.99Å
101	K	95.7	Very high	95.8	Very high	123 Å²	123	52.4 Å²	52.4	54%	0.535	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-124.8	10.4	177.3	-54.7	-161.5	176.8	-172.3	0	113.8	R71 C97 P98 L99 P103	R71-K101 PolarHBondContact NH2-O 2.65Å; C97-K101 VanDerWaalsContact SG-C 3.5Å; C97-K101 PolarHBondContact SG-O 3.26Å; C97-K101 VanDerWaalsContact SG-O 3.34Å; P98-K101 PolarHBondContact O-N 2.84Å; L99-K101 PolarHBondContact O-N 2.85Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å
102	I	95.6	Very high	95.7	Very high	39 Å²	39	56.6 Å²	56.6	20%	0.2	30%	0.295	C	S	.	.			trans	-58.3	122.3	175.2	-65.3	162.1	0	0	0	108.4	P98 L99 A106 W115	P98-I102 PolarHBondContact O-N 3.33Å; L99-I102 HydrophobicContact CD2-CD1 4.16Å; L99-I102 WeakPolarHBondContact O-CD1 3.28Å; L99-I102 WeakPolarHBondContact O-CG1 3.47Å; L99-I102 PolarHBondContact O-N 3.17Å; I102-A106 HydrophobicContact CG2-CB 3.95Å; I102-W115 HydrophobicContact CD1-CB 3.9Å; I102-W115 HydrophobicContact CD1-CD2 3.39Å; I102-W115 HydrophobicContact CD1-CE3 3.65Å; I102-W115 HydrophobicContact CD1-CG 3.49Å; I102-W115 VanDerWaalsContact CD1-CG 3.49Å; I102-W115 HydrophobicContact CD1-CZ3 4.4Å; I102-W115 HydrophobicContact CG1-CD2 4.09Å; I102-W115 HydrophobicContact CG1-CE3 3.89Å; I102-W115 HydrophobicContact CG1-CZ3 4.21Å; I102-W115 HydrophobicContact CG2-CD2 4.41Å; I102-W115 HydrophobicContact CG2-CE3 4.48Å; I102-W115 HydrophobicContact CG2-CH2 3.87Å; I102-W115 HydrophobicContact CG2-CZ2 3.73Å; I102-W115 HydrophobicContact CG2-CZ3 4.24Å
103	P	95.7	Very high	95.7	Very high	20 Å²	20	58.6 Å²	58.6	13%	0.13	31%	0.309	C	S	.	.			trans	-60.3	147.6	178.8	-24	35.2	0	0	0	112.1	R71 I74 K101 E105 A106	R71-P103 HydrophobicContact CG-CG 4.07Å; I74-P103 HydrophobicContact CD1-CB 3.77Å; I74-P103 HydrophobicContact CD1-CG 3.76Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-E105 PolarHBondContact O-N 3.25Å; P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 3.49Å; P103-A106 VanDerWaalsContact O-N 3.12Å
104	S	95.4	Very high	95.6	Very high	89 Å²	89	59.8 Å²	59.8	62%	0.622	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-55	-38.2	172.3	20.1	0	0	0	0	112.3	A106 K107	S104-A106 PolarHBondContact O-N 3.22Å; S104-K107 VanDerWaalsContact O-CB 3.3Å; S104-K107 WeakPolarHBondContact O-CB 3.34Å; S104-K107 PolarHBondContact O-N 3.24Å
105	E	95	Very high	95.6	Very high	111 Å²	111	59.9 Å²	59.9	52%	0.519	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67	-18.8	-178.2	-54.7	92.6	113.6	0	0	112.5	I74 M79 P103 K107	I74-E105 HydrophobicContact CD1-CB 4.31Å; I74-E105 HydrophobicContact CG2-CB 4.14Å; M79-E105 WeakPolarHBondContact CG-O 3.22Å; P103-E105 PolarHBondContact O-N 3.25Å; E105-K107 PolarHBondContact O-N 3.07Å
106	A	95.4	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-74.5	-13.2	171.8	0	0	0	0	0	112.9	I70 I74 M79 I102 P103 S104 W115 F129	I70-A106 HydrophobicContact CD1-CB 4.13Å; I70-A106 HydrophobicContact CG1-CB 3.92Å; I74-A106 HydrophobicContact CD1-CB 4.21Å; M79-A106 WeakPolarHBondContact CE-O 3.47Å; I102-A106 HydrophobicContact CG2-CB 3.95Å; P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 3.49Å; P103-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 PolarHBondContact O-N 3.22Å; A106-W115 HydrophobicContact CB-CH2 3.94Å; A106-W115 HydrophobicContact CB-CZ2 4.05Å; A106-F129 VanDerWaalsContact O-CE1 3.26Å; A106-F129 WeakPolarHBondContact O-CE1 3.46Å
107	K	92.5	Very high	95.5	Very high	142 Å²	142	59.1 Å²	59.1	62%	0.617	32%	0.315	S	S	*	.			trans	-85	119.2	178.6	-60	-179.7	179	-179	0	109.8	S104 E105	S104-K107 VanDerWaalsContact O-CB 3.3Å; S104-K107 WeakPolarHBondContact O-CB 3.34Å; S104-K107 PolarHBondContact O-N 3.24Å; E105-K107 PolarHBondContact O-N 3.07Å
108	V	93.2	Very high	95.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	32%	0.318	C	S	.	.			trans	-102.5	114.8	174.8	-172.4	0	0	0	0	108.3	M79 I82 K83 S110 Y111	M79-V108 HydrophobicContact CE-CG2 3.48Å; M79-V108 VanDerWaalsContact CE-CG2 3.48Å; I82-V108 HydrophobicContact CG2-CG2 4.1Å; K83-V108 HydrophobicContact CG-CG1 3.87Å; V108-S110 PolarHBondContact O-N 2.69Å; V108-Y111 HydrophobicContact CB-CD2 3.76Å; V108-Y111 HydrophobicContact CB-CE2 4.33Å; V108-Y111 HydrophobicContact CG1-CD2 3.59Å; V108-Y111 HydrophobicContact CG1-CE2 3.82Å; V108-Y111 PolarHBondContact O-N 2.68Å
109	P	92.6	Very high	95	Very high	132 Å²	132	65 Å²	65	86%	0.857	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.8	-168.8	-29.4	36.2	0	0	0	116.5	Y111	P109-Y111 VanDerWaalsContact C-N 3.29Å; P109-Y111 PolarHBondContact O-N 2.8Å
110	S	93.9	Very high	94.9	Very high	71 Å²	71	66.9 Å²	66.9	50%	0.497	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.9	177.1	51.7	0	0	0	0	114.6	V108	V108-S110 PolarHBondContact O-N 2.69Å
111	Y	97.3	Very high	94.6	Very high	18 Å²	18	63 Å²	63	7%	0.071	35%	0.345	C	S	.	.	S	Bend	trans	-127.7	139.4	-178.2	-60	-98.9	0	0	0	112	I82 A87 V108 P109 F129 S130 K131	I82-Y111 HydrophobicContact CG2-CE2 4.43Å; A87-Y111 PolarHBondContact N-OH 2.98Å; A87-Y111 VanDerWaalsContact O-CE1 3.25Å; A87-Y111 WeakPolarHBondContact O-CE1 3.29Å; A87-Y111 PolarHBondContact O-OH 3.4Å; V108-Y111 HydrophobicContact CB-CD2 3.76Å; V108-Y111 HydrophobicContact CB-CE2 4.33Å; V108-Y111 HydrophobicContact CG1-CD2 3.59Å; V108-Y111 HydrophobicContact CG1-CE2 3.82Å; V108-Y111 PolarHBondContact O-N 2.68Å; P109-Y111 VanDerWaalsContact C-N 3.29Å; P109-Y111 PolarHBondContact O-N 2.8Å; Y111-F129 HydrophobicContact CD1-CB 3.75Å; Y111-F129 HydrophobicContact CE1-CB 4.37Å; Y111-F129 HydrophobicContact CG-CB 3.85Å; Y111-S130 CarbonylContact C-O 3.01Å; Y111-S130 WeakPolarHBondContact CA-O 3.03Å; Y111-K131 HydrophobicContact CD1-CG 3.88Å; Y111-K131 HydrophobicContact CE1-CG 3.87Å
112	Q	97.2	Very high	94.4	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.1	156.5	-172.6	174.5	4.7	0	0	108.7	F114 F129 S130 S133	Q112-F114 HydrophobicContact CB-CE2 4.3Å; Q112-F114 HydrophobicContact CB-CZ 4.48Å; Q112-F114 HydrophobicContact CG-CE1 4.3Å; Q112-F114 HydrophobicContact CG-CE2 3.86Å; Q112-F114 HydrophobicContact CG-CZ 3.64Å; Q112-F114 VanDerWaalsContact NE2-CZ 3.33Å; Q112-F129 CarbonylContact O-C 3.21Å; Q112-F129 WeakPolarHBondContact O-CA 3.45Å; Q112-S130 PolarHBondContact N-O 3.12Å; Q112-S130 PolarHBondContact O-N 3.46Å; Q112-S133 PolarHBondContact OE1-OG 2.72Å
113	S	97.3	Very high	94.4	Very high	42 Å²	42	60.5 Å²	60.5	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.9	-178.7	74.1	0	0	0	0	112.8	W115 L128	S113-W115 PolarHBondContact OG-NE1 2.85Å; S113-L128 CarbonylContact C-O 3.54Å; S113-L128 WeakPolarHBondContact CA-O 3.3Å
114	F	98.1	Very high	94.4	Very high	26 Å²	26	59.5 Å²	59.5	11%	0.114	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.8	176.7	-53.8	-86	0	0	0	109.2	Q112 A127 L128 P134 V137	Q112-F114 HydrophobicContact CB-CE2 4.3Å; Q112-F114 HydrophobicContact CB-CZ 4.48Å; Q112-F114 HydrophobicContact CG-CE1 4.3Å; Q112-F114 HydrophobicContact CG-CE2 3.86Å; Q112-F114 HydrophobicContact CG-CZ 3.64Å; Q112-F114 VanDerWaalsContact NE2-CZ 3.33Å; F114-A127 CarbonylContact O-C 3.47Å; F114-A127 WeakPolarHBondContact O-CA 3.36Å; F114-A127 WeakPolarHBondContact O-CB 3.42Å; F114-L128 HydrophobicContact CD2-CD2 3.82Å; F114-L128 HydrophobicContact CE2-CD2 4.34Å; F114-L128 PolarHBondContact N-O 3.3Å; F114-L128 PolarHBondContact O-N 3.43Å; F114-P134 HydrophobicContact CE1-CG 4.39Å; F114-P134 HydrophobicContact CE2-CG 3.67Å; F114-P134 HydrophobicContact CZ-CG 3.53Å; F114-V137 HydrophobicContact CB-CG1 4.27Å; F114-V137 HydrophobicContact CD1-CB 4.13Å; F114-V137 HydrophobicContact CD1-CG1 4.15Å; F114-V137 HydrophobicContact CD1-CG2 3.65Å; F114-V137 HydrophobicContact CD2-CG2 4.27Å; F114-V137 HydrophobicContact CE1-CB 4.36Å; F114-V137 HydrophobicContact CE1-CG2 3.58Å; F114-V137 HydrophobicContact CE2-CG2 4.21Å; F114-V137 HydrophobicContact CG-CG1 4.27Å; F114-V137 HydrophobicContact CG-CG2 3.99Å; F114-V137 HydrophobicContact CZ-CG2 3.86Å
115	W	97.9	Very high	94.5	Very high	23 Å²	23	55.3 Å²	55.3	9%	0.087	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.3	-169.7	-65.6	78.4	0	0	0	110.9	I70 I92 T95 L99 I102 A106 S113 A127 F129 Y139	I70-W115 HydrophobicContact CD1-CH2 4.1Å; I70-W115 HydrophobicContact CG1-CH2 4.06Å; I70-W115 HydrophobicContact CG1-CZ3 4.42Å; I92-W115 HydrophobicContact CD1-CH2 4.24Å; I92-W115 HydrophobicContact CD1-CZ3 4.37Å; T95-W115 HydrophobicContact CG2-CE3 4.12Å; T95-W115 HydrophobicContact CG2-CZ3 3.83Å; L99-W115 HydrophobicContact CD2-CB 3.51Å; I102-W115 HydrophobicContact CD1-CB 3.9Å; I102-W115 HydrophobicContact CD1-CD2 3.39Å; I102-W115 HydrophobicContact CD1-CE3 3.65Å; I102-W115 HydrophobicContact CD1-CG 3.49Å; I102-W115 VanDerWaalsContact CD1-CG 3.49Å; I102-W115 HydrophobicContact CD1-CZ3 4.4Å; I102-W115 HydrophobicContact CG1-CD2 4.09Å; I102-W115 HydrophobicContact CG1-CE3 3.89Å; I102-W115 HydrophobicContact CG1-CZ3 4.21Å; I102-W115 HydrophobicContact CG2-CD2 4.41Å; I102-W115 HydrophobicContact CG2-CE3 4.48Å; I102-W115 HydrophobicContact CG2-CH2 3.87Å; I102-W115 HydrophobicContact CG2-CZ2 3.73Å; I102-W115 HydrophobicContact CG2-CZ3 4.24Å; A106-W115 HydrophobicContact CB-CH2 3.94Å; A106-W115 HydrophobicContact CB-CZ2 4.05Å; S113-W115 PolarHBondContact OG-NE1 2.85Å; W115-A127 HydrophobicContact CD2-CB 3.53Å; W115-A127 HydrophobicContact CE3-CB 3.51Å; W115-A127 HydrophobicContact CG-CB 4.04Å; W115-A127 HydrophobicContact CH2-CB 4.19Å; W115-A127 HydrophobicContact CZ2-CB 4.24Å; W115-A127 HydrophobicContact CZ3-CB 3.85Å; W115-F129 HydrophobicContact CH2-CZ 4.05Å; W115-F129 AromaticContact CZ2-CE1 3.96Å; W115-F129 HydrophobicContact CZ2-CE1 3.96Å; W115-F129 AromaticContact CZ2-CZ 3.61Å; W115-F129 HydrophobicContact CZ2-CZ 3.61Å; W115-Y139 WeakPolarHBondContact O-CE1 3.3Å
116	S	97.5	Very high	94.7	Very high	13 Å²	13	50 Å²	50	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	169.6	-159.7	0	0	0	0	108.5	G125 T126 G150	S116-G125 CarbonylContact O-C 3.47Å; S116-G125 WeakPolarHBondContact O-CA 3.47Å; S116-T126 PolarHBondContact N-O 3.38Å; S116-T126 PolarHBondContact O-N 2.88Å; S116-T126 VanDerWaalsContact O-O 3.06Å; S116-G150 VanDerWaalsContact OG-CA 3.24Å; S116-G150 WeakPolarHBondContact OG-CA 3.42Å
117	S	95.5	Very high	94.8	Very high	23 Å²	23	50 Å²	50	16%	0.161	29%	0.285	C	S	.	.			trans	-115.2	143.4	-178.7	-63.1	0	0	0	0	109.7	C97 L99	C97-S117 WeakPolarHBondContact O-CB 3.3Å; C97-S117 PolarHBondContact O-OG 2.9Å; L99-S117 WeakPolarHBondContact CD2-OG 3.23Å; L99-S117 WeakPolarHBondContact CG-OG 3.48Å; L99-S117 PolarHBondContact N-OG 3.35Å; L99-S117 VanDerWaalsContact N-OG 3.09Å
118	A	92.6	Very high	95.1	Very high	9 Å²	9	43.2 Å²	43.2	7%	0.074	26%	0.256	C	S	.	.			trans	-67.6	148.7	163.8	0	0	0	0	0	110.9	K120 Y123 A124 D148 E149	A118-K120 PolarHBondContact O-N 3.3Å; A118-Y123 HydrophobicContact CB-CD1 4.02Å; A118-Y123 WeakPolarHBondContact CB-O 3.45Å; A118-A124 HydrophobicContact CB-CB 4.29Å; A118-D148 WeakPolarHBondContact CA-O 3.37Å; A118-E149 WeakPolarHBondContact CB-O 3.4Å
119	D	88.5	Confident	95.3	Very high	141 Å²	141	43 Å²	43	75%	0.754	25%	0.254	S	S	*	.	S	Bend	trans	-56.6	-34.3	169.8	-78.6	-14.3	0	0	0	111.8	A121 D148	D119-A121 PolarHBondContact O-N 3.08Å; D119-D148 PolarHBondContact N-O 2.84Å; D119-D148 VanDerWaalsContact N-O 3.12Å
120	K	90.8	Very high	95.6	Very high	138 Å²	138	36.8 Å²	36.8	60%	0.6	21%	0.214	S	C	*	.	S	Bend	trans	-79.3	109.4	175.6	-176.2	-179.4	174.5	-171.9	0	110.5	A118 Y123	A118-K120 PolarHBondContact O-N 3.3Å; K120-Y123 HydrophobicContact CB-CD1 4.27Å; K120-Y123 HydrophobicContact CD-CD1 4.21Å; K120-Y123 HydrophobicContact CD-CG 4.06Å; K120-Y123 WeakPolarHBondContact O-CB 3.39Å; K120-Y123 PolarHBondContact O-N 2.88Å
121	A	88.6	Confident	95.8	Very high	71 Å²	71	36.8 Å²	36.8	59%	0.587	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	139.7	172.6	0	0	0	0	0	112.4	P98 D119	P98-A121 HydrophobicContact CG-CB 3.83Å; D119-A121 PolarHBondContact O-N 3.08Å
122	G	92.1	Very high	95.7	Very high	50 Å²	50	40.1 Å²	40.1	52%	0.515	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	11.4	-179.4	0	0	0	0	0	115	K96	K96-G122 WeakPolarHBondContact O-CA 3.42Å; K96-G122 PolarHBondContact O-N 2.94Å
123	Y	94.2	Very high	95.7	Very high	59 Å²	59	40 Å²	40	23%	0.231	23%	0.231	C	C	.	.	S	Bend	trans	-134.4	144	-173.7	178.9	-106.7	0	0	0	111.6	A118 K120 E149 R151 R176	A118-Y123 HydrophobicContact CB-CD1 4.02Å; A118-Y123 WeakPolarHBondContact CB-O 3.45Å; K120-Y123 HydrophobicContact CB-CD1 4.27Å; K120-Y123 HydrophobicContact CD-CD1 4.21Å; K120-Y123 HydrophobicContact CD-CG 4.06Å; K120-Y123 WeakPolarHBondContact O-CB 3.39Å; K120-Y123 PolarHBondContact O-N 2.88Å; Y123-E149 HydrophobicContact CE1-CB 4.41Å; Y123-E149 HydrophobicContact CE1-CG 3.96Å; Y123-E149 VanDerWaalsContact CE1-OE2 3.29Å; Y123-E149 WeakPolarHBondContact CE1-OE2 3.34Å; Y123-E149 PolarHBondContact OH-OE1 2.87Å; Y123-E149 PolarHBondContact OH-OE2 3.43Å; Y123-R151 PolarHBondContact OH-NH2 3.46Å; Y123-R176 PolarHBondContact OH-NH1 2.83Å
124	A	96.3	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.223	C	C	.	.			trans	42.7	-136	175.6	0	0	0	0	0	113.9	E94 T95 K96 A118 E149 Y166	E94-A124 CarbonylContact C-O 3.54Å; E94-A124 WeakPolarHBondContact CA-O 3.4Å; T95-A124 PolarHBondContact N-O 2.89Å; K96-A124 WeakPolarHBondContact CA-O 3.23Å; K96-A124 PolarHBondContact N-O 3.33Å; A118-A124 HydrophobicContact CB-CB 4.29Å; A124-E149 VanDerWaalsContact CB-O 3.25Å; A124-E149 WeakPolarHBondContact CB-O 3.36Å; A124-Y166 HydrophobicContact CB-CD1 3.88Å; A124-Y166 HydrophobicContact CB-CE1 3.74Å
125	G	97.9	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.			trans	78.5	150.1	-175.6	0	0	0	0	0	114.4	E94 T95 S116 E149 G150	E94-G125 WeakPolarHBondContact CA-O 3.23Å; E94-G125 PolarHBondContact N-O 3Å; T95-G125 PolarHBondContact N-O 3.06Å; S116-G125 CarbonylContact O-C 3.47Å; S116-G125 WeakPolarHBondContact O-CA 3.47Å; G125-E149 PolarHBondContact N-O 3.16Å; G125-G150 CarbonylContact C-O 3.59Å; G125-G150 WeakPolarHBondContact CA-O 3.3Å
126	T	98.6	Very high	95.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.8	-177.9	47.7	0	0	0	0	110.5	I92 Q93 S116 G150 R151 I153	I92-T126 CarbonylContact O-C 3.42Å; I92-T126 VanDerWaalsContact O-CA 3.31Å; I92-T126 WeakPolarHBondContact O-CA 3.35Å; Q93-T126 HydrophobicContact CG-CG2 4.28Å; S116-T126 PolarHBondContact N-O 3.38Å; S116-T126 PolarHBondContact O-N 2.88Å; S116-T126 VanDerWaalsContact O-O 3.06Å; T126-G150 PolarHBondContact N-O 2.84Å; T126-G150 VanDerWaalsContact N-O 3.15Å; T126-G150 PolarHBondContact OG1-O 2.98Å; T126-R151 WeakPolarHBondContact CG2-O 3.41Å; T126-I153 WeakPolarHBondContact OG1-CG1 3.36Å
127	A	98.4	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.4	167.3	0	0	0	0	0	112	I92 T95 F114 W115 F129	I92-A127 HydrophobicContact CD1-CB 4.03Å; I92-A127 HydrophobicContact CG1-CB 3.67Å; I92-A127 PolarHBondContact N-O 2.92Å; I92-A127 PolarHBondContact O-N 2.83Å; T95-A127 HydrophobicContact CG2-CB 4.07Å; F114-A127 CarbonylContact O-C 3.47Å; F114-A127 WeakPolarHBondContact O-CA 3.36Å; F114-A127 WeakPolarHBondContact O-CB 3.42Å; W115-A127 HydrophobicContact CD2-CB 3.53Å; W115-A127 HydrophobicContact CE3-CB 3.51Å; W115-A127 HydrophobicContact CG-CB 4.04Å; W115-A127 HydrophobicContact CH2-CB 4.19Å; W115-A127 HydrophobicContact CZ2-CB 4.24Å; W115-A127 HydrophobicContact CZ3-CB 3.85Å; A127-F129 HydrophobicContact CB-CE2 4.5Å
128	L	98.4	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.7	178.7	-175.8	153.8	0	0	0	108.4	I89 S113 F114 A155 L162 T164	I89-L128 HydrophobicContact CG2-CD1 4.24Å; I89-L128 HydrophobicContact CG2-CD2 3.86Å; I89-L128 HydrophobicContact CG2-CG 3.83Å; S113-L128 CarbonylContact C-O 3.54Å; S113-L128 WeakPolarHBondContact CA-O 3.3Å; F114-L128 HydrophobicContact CD2-CD2 3.82Å; F114-L128 HydrophobicContact CE2-CD2 4.34Å; F114-L128 PolarHBondContact N-O 3.3Å; F114-L128 PolarHBondContact O-N 3.43Å; L128-A155 HydrophobicContact CD1-CB 3.73Å; L128-A155 HydrophobicContact CD2-CB 4.47Å; L128-L162 HydrophobicContact CD1-CD2 4.03Å; L128-L162 HydrophobicContact CD1-CG 4.46Å; L128-T164 HydrophobicContact CB-CG2 4.29Å; L128-T164 HydrophobicContact CD1-CG2 4.2Å
129	F	98.3	Very high	96.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.2	172.8	-57.6	-88.6	0	0	0	107.8	I89 F90 I92 A106 Y111 Q112 W115 A127	I89-F129 CarbonylContact C-O 3.56Å; I89-F129 VanDerWaalsContact CA-O 3.3Å; I89-F129 WeakPolarHBondContact CA-O 3.4Å; I89-F129 WeakPolarHBondContact CG2-O 3.23Å; F90-F129 HydrophobicContact CB-CB 4.24Å; F90-F129 HydrophobicContact CB-CD2 4.47Å; F90-F129 PolarHBondContact N-O 2.86Å; F90-F129 WeakPolarHBondContact O-CD2 3.25Å; F90-F129 PolarHBondContact O-N 2.99Å; I92-F129 HydrophobicContact CD1-CE2 3.79Å; I92-F129 HydrophobicContact CD1-CZ 4.27Å; I92-F129 HydrophobicContact CG1-CE2 3.98Å; I92-F129 HydrophobicContact CG2-CE2 4.47Å; A106-F129 VanDerWaalsContact O-CE1 3.26Å; A106-F129 WeakPolarHBondContact O-CE1 3.46Å; Y111-F129 HydrophobicContact CD1-CB 3.75Å; Y111-F129 HydrophobicContact CE1-CB 4.37Å; Y111-F129 HydrophobicContact CG-CB 3.85Å; Q112-F129 CarbonylContact O-C 3.21Å; Q112-F129 WeakPolarHBondContact O-CA 3.45Å; W115-F129 HydrophobicContact CH2-CZ 4.05Å; W115-F129 AromaticContact CZ2-CE1 3.96Å; W115-F129 HydrophobicContact CZ2-CE1 3.96Å; W115-F129 AromaticContact CZ2-CZ 3.61Å; W115-F129 HydrophobicContact CZ2-CZ 3.61Å; A127-F129 HydrophobicContact CB-CE2 4.5Å
130	S	98.3	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.5	179.1	-170.9	0	0	0	0	111.8	Y111 Q112 I132 Y157	Y111-S130 CarbonylContact C-O 3.01Å; Y111-S130 WeakPolarHBondContact CA-O 3.03Å; Q112-S130 PolarHBondContact N-O 3.12Å; Q112-S130 PolarHBondContact O-N 3.46Å; S130-I132 VanDerWaalsContact C-N 3.32Å; S130-I132 VanDerWaalsContact CB-O 3.31Å; S130-I132 WeakPolarHBondContact CB-O 3.32Å; S130-I132 PolarHBondContact OG-N 3.19Å; S130-I132 PolarHBondContact OG-O 3.33Å; S130-Y157 WeakPolarHBondContact CB-OH 3.39Å; S130-Y157 PolarHBondContact OG-OH 2.85Å; S130-Y157 VanDerWaalsContact OG-OH 3.1Å
131	K	97.8	Very high	97.1	Very high	72 Å²	72	42.5 Å²	42.5	31%	0.313	24%	0.237	S	C	.	.	S	Bend	trans	-72.3	-29.3	169.3	-65	-175.9	-174.2	138.7	0	111.9	N86 A87 D88 Y111	N86-K131 PolarHBondContact O-NZ 2.64Å; N86-K131 WeakPolarHBondContact OD1-CE 3.42Å; N86-K131 PolarHBondContact OD1-NZ 3.39Å; A87-K131 WeakPolarHBondContact O-CE 3.5Å; A87-K131 PolarHBondContact O-NZ 3.35Å; D88-K131 PolarHBondContact O-N 3.01Å; D88-K131 IonicContact OD1-NZ 3.92Å; D88-K131 PolarHBondContact OD1-NZ 3.05Å; Y111-K131 HydrophobicContact CD1-CG 3.88Å; Y111-K131 HydrophobicContact CE1-CG 3.87Å
132	I	95.7	Very high	97.5	Very high	88 Å²	88	42.3 Å²	42.3	45%	0.451	24%	0.242	S	C	.	.	S	Bend	trans	-102.9	129.4	179.8	-52.5	-174.7	0	0	0	108.4	F60 S130 P134	F60-I132 HydrophobicContact CE2-CD1 3.75Å; S130-I132 VanDerWaalsContact C-N 3.32Å; S130-I132 VanDerWaalsContact CB-O 3.31Å; S130-I132 WeakPolarHBondContact CB-O 3.32Å; S130-I132 PolarHBondContact OG-N 3.19Å; S130-I132 PolarHBondContact OG-O 3.33Å; I132-P134 WeakPolarHBondContact O-CD 3.3Å
133	S	96.9	Very high	97.7	Very high	84 Å²	84	44.1 Å²	44.1	59%	0.587	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-64.6	122.9	175.1	-65.9	0	0	0	0	110.9	Q112	Q112-S133 PolarHBondContact OE1-OG 2.72Å
134	P	98.2	Very high	97.7	Very high	18 Å²	18	48.3 Å²	48.3	12%	0.117	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.1	149.3	171.1	28.7	-35	0	0	0	110.8	F114 I132 K136 V137 A155 E156 Y157	F114-P134 HydrophobicContact CE1-CG 4.39Å; F114-P134 HydrophobicContact CE2-CG 3.67Å; F114-P134 HydrophobicContact CZ-CG 3.53Å; I132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-K136 PolarHBondContact O-N 2.79Å; P134-V137 HydrophobicContact CB-CG2 4.13Å; P134-V137 HydrophobicContact CG-CG2 3.4Å; P134-A155 HydrophobicContact CB-CB 4.02Å; P134-A155 HydrophobicContact CG-CB 4.41Å; P134-E156 CarbonylContact C-O 3.59Å; P134-E156 VanDerWaalsContact CA-O 3.3Å; P134-E156 WeakPolarHBondContact CA-O 3.33Å; P134-E156 VanDerWaalsContact CB-O 3.3Å; P134-E156 WeakPolarHBondContact CB-O 3.47Å; P134-Y157 HydrophobicContact CB-CD1 4.38Å; P134-Y157 HydrophobicContact CB-CE1 3.89Å; P134-Y157 HydrophobicContact CB-CE2 4.49Å
135	I	98.6	Very high	97.6	Very high	114 Å²	114	52.5 Å²	52.5	59%	0.585	28%	0.276	S	S	*	.	S	Bend	trans	-59.5	-40.3	175.1	-61.4	172.6	0	0	0	110.2	E156	I135-E156 HydrophobicContact CB-CB 4.36Å; I135-E156 HydrophobicContact CB-CG 4.22Å; I135-E156 HydrophobicContact CD1-CG 4.42Å; I135-E156 PolarHBondContact N-O 2.77Å
136	K	98.5	Very high	97.5	Very high	122 Å²	122	52.5 Å²	52.5	53%	0.53	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.9	179.6	-176.7	176.4	176.1	-176.6	0	110.2	P134 E156	P134-K136 PolarHBondContact O-N 2.79Å; K136-E156 HydrophobicContact CB-CB 4.17Å; K136-E156 PolarHBondContact O-N 3.4Å
137	V	98.7	Very high	97.4	Very high	32 Å²	32	54.5 Å²	54.5	19%	0.194	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.5	167.1	-178.3	0	0	0	0	109.2	F114 P134 Y139 I153 T154 A155	F114-V137 HydrophobicContact CB-CG1 4.27Å; F114-V137 HydrophobicContact CD1-CB 4.13Å; F114-V137 HydrophobicContact CD1-CG1 4.15Å; F114-V137 HydrophobicContact CD1-CG2 3.65Å; F114-V137 HydrophobicContact CD2-CG2 4.27Å; F114-V137 HydrophobicContact CE1-CB 4.36Å; F114-V137 HydrophobicContact CE1-CG2 3.58Å; F114-V137 HydrophobicContact CE2-CG2 4.21Å; F114-V137 HydrophobicContact CG-CG1 4.27Å; F114-V137 HydrophobicContact CG-CG2 3.99Å; F114-V137 HydrophobicContact CZ-CG2 3.86Å; P134-V137 HydrophobicContact CB-CG2 4.13Å; P134-V137 HydrophobicContact CG-CG2 3.4Å; V137-Y139 HydrophobicContact CG1-CE1 4.03Å; V137-Y139 HydrophobicContact CG1-CE2 4.24Å; V137-I153 HydrophobicContact CG1-CG2 3.51Å; V137-T154 CarbonylContact C-O 3.53Å; V137-T154 WeakPolarHBondContact CA-O 3.31Å; V137-A155 HydrophobicContact CG2-CB 4.42Å
138	T	98.6	Very high	97.2	Very high	51 Å²	51	57.4 Å²	57.4	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	176.4	-52.8	0	0	0	0	108.7	T154	T138-T154 PolarHBondContact N-O 2.83Å; T138-T154 PolarHBondContact O-N 2.76Å
139	Y	98.2	Very high	97	Very high	112 Å²	112	59.1 Å²	59.1	44%	0.439	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.4	178.9	-59.2	-76.3	0	0	0	109.1	W115 V137 I153	W115-Y139 WeakPolarHBondContact O-CE1 3.3Å; V137-Y139 HydrophobicContact CG1-CE1 4.03Å; V137-Y139 HydrophobicContact CG1-CE2 4.24Å; Y139-I153 HydrophobicContact CD1-CG1 4.01Å; Y139-I153 HydrophobicContact CD1-CG2 4.4Å; Y139-I153 HydrophobicContact CE1-CD1 4.29Å; Y139-I153 HydrophobicContact CE1-CG1 4.22Å; Y139-I153 HydrophobicContact CE1-CG2 4.27Å
140	G	98.1	Very high	97	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	74.3	-174.7	-173.7	0	0	0	0	0	114.2	D147 V152	G140-D147 WeakPolarHBondContact CA-OD1 3.36Å; G140-V152 PolarHBondContact N-O 3.2Å
141	I	98.2	Very high	97	Very high	17 Å²	17	59.3 Å²	59.3	9%	0.087	31%	0.311	C	S	.	.			trans	-111.6	4	-176.9	64	176.5	0	0	0	113.5	K143 H146 D147 V152 D187 F188 Y191	I141-K143 HydrophobicContact CG1-CB 4.32Å; I141-K143 HydrophobicContact CG1-CG 4.44Å; I141-H146 HydrophobicContact CD1-CB 4.19Å; I141-H146 HydrophobicContact CG1-CB 4.2Å; I141-D147 PolarHBondContact N-OD1 3.06Å; I141-V152 HydrophobicContact CG2-CB 4.13Å; I141-V152 HydrophobicContact CG2-CG1 3.99Å; I141-V152 HydrophobicContact CG2-CG2 3.98Å; I141-D187 HydrophobicContact CD1-CB 4.16Å; I141-F188 HydrophobicContact CG2-CD2 4.19Å; I141-Y191 HydrophobicContact CB-CD1 4.2Å; I141-Y191 HydrophobicContact CB-CD2 3.68Å; I141-Y191 HydrophobicContact CB-CE2 4.1Å; I141-Y191 HydrophobicContact CB-CG 3.73Å; I141-Y191 HydrophobicContact CG2-CD1 3.64Å; I141-Y191 HydrophobicContact CG2-CD2 4.03Å; I141-Y191 HydrophobicContact CG2-CE1 3.89Å; I141-Y191 HydrophobicContact CG2-CE2 4.26Å; I141-Y191 HydrophobicContact CG2-CG 3.7Å; I141-Y191 WeakPolarHBondContact O-CD2 3.35Å
142	G	97.6	Very high	97	Very high	67 Å²	67	56 Å²	56	69%	0.691	30%	0.297	S	S	*	.	S	Bend	trans	88.2	25	178.1	0	0	0	0	0	113.5	D147	G142-D147 WeakPolarHBondContact CA-OD2 3.31Å; G142-D147 PolarHBondContact N-OD2 2.9Å
143	K	96.7	Very high	97.2	Very high	87 Å²	87	51.8 Å²	51.8	38%	0.378	28%	0.275	S	S	.	.			trans	-133.1	105.1	-179.4	-65.6	-65.5	-166.3	92.6	0	107.7	I141 M145 H146 D147 D187	I141-K143 HydrophobicContact CG1-CB 4.32Å; I141-K143 HydrophobicContact CG1-CG 4.44Å; K143-M145 VanDerWaalsContact C-N 3.27Å; K143-M145 HydrophobicContact CB-CG 4.42Å; K143-M145 PolarHBondContact O-N 3.26Å; K143-M145 VanDerWaalsContact O-N 3.09Å; K143-H146 HydrophobicContact CB-CB 4.2Å; K143-H146 WeakPolarHBondContact O-CA 3.06Å; K143-H146 WeakPolarHBondContact O-CB 3.37Å; K143-H146 PolarHBondContact O-N 3.07Å; K143-D147 PolarHBondContact N-OD2 3.49Å; K143-D147 PolarHBondContact O-N 3.38Å; K143-D187 WeakPolarHBondContact CG-OD2 3.16Å; K143-D187 IonicContact NZ-OD1 2.72Å; K143-D187 PolarHBondContact NZ-OD1 3.34Å; K143-D187 IonicContact NZ-OD2 3.56Å; K143-D187 PolarHBondContact NZ-OD2 3.33Å
144	K	93.8	Very high	97.3	Very high	147 Å²	147	47.9 Å²	47.9	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-51.5	-43.1	-170.6	-162.4	-152.3	-178.5	-53.4	0	113.8	H146 D147 D148	K144-H146 PolarHBondContact O-N 3.33Å; K144-D147 PolarHBondContact O-N 2.7Å; K144-D148 IonicContact NZ-OD1 3.64Å; K144-D148 PolarHBondContact NZ-OD1 3.24Å; K144-D148 IonicContact NZ-OD2 2.67Å; K144-D148 PolarHBondContact NZ-OD2 2.66Å; K144-D148 VanDerWaalsContact O-CG 3.26Å; K144-D148 PolarHBondContact O-N 3.09Å
145	M	93.6	Very high	97.3	Very high	88 Å²	88	47 Å²	47	43%	0.433	24%	0.242	S	C	.	.	H	α-helix	trans	-56.3	-19.1	176.4	60.3	-172.8	-72.1	0	0	115.2	K143 Y179 E183	K143-M145 VanDerWaalsContact C-N 3.27Å; K143-M145 HydrophobicContact CB-CG 4.42Å; K143-M145 PolarHBondContact O-N 3.26Å; K143-M145 VanDerWaalsContact O-N 3.09Å; M145-Y179 HydrophobicContact CE-CE2 4.33Å; M145-Y179 PolarHBondContact O-OH 2.59Å; M145-E183 HydrophobicContact CE-CB 3.91Å; M145-E183 HydrophobicContact CE-CG 4.17Å; M145-E183 WeakPolarHBondContact CE-OE2 3.48Å
146	H	96.6	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-104.7	-37	180	-66.2	-27.3	0	0	0	111.5	I141 K143 K144 Y179 W184 D187	I141-H146 HydrophobicContact CD1-CB 4.19Å; I141-H146 HydrophobicContact CG1-CB 4.2Å; K143-H146 HydrophobicContact CB-CB 4.2Å; K143-H146 WeakPolarHBondContact O-CA 3.06Å; K143-H146 WeakPolarHBondContact O-CB 3.37Å; K143-H146 PolarHBondContact O-N 3.07Å; K144-H146 PolarHBondContact O-N 3.33Å; H146-Y179 AromaticContact CE1-CE2 3.61Å; H146-Y179 AromaticContact CE1-CZ 3.86Å; H146-Y179 AromaticContact ND1-CE2 3.66Å; H146-Y179 AromaticContact ND1-CZ 3.59Å; H146-Y179 PolarHBondContact ND1-OH 2.83Å; H146-W184 HydrophobicContact CB-CE3 3.76Å; H146-W184 HydrophobicContact CB-CH2 4.25Å; H146-W184 HydrophobicContact CB-CZ3 3.38Å; H146-W184 AromaticContact CG-CE3 3.61Å; H146-W184 AromaticContact CG-CZ3 3.8Å; H146-W184 AromaticContact ND1-CE3 3.43Å; H146-W184 AromaticContact ND1-CZ3 3.98Å; H146-D187 IonicContact CD2-OD2 3.77Å; H146-D187 IonicContact NE2-OD2 3.78Å; H146-D187 PolarHBondContact NE2-OD2 3Å
147	D	96.3	Very high	97.3	Very high	42 Å²	42	38.2 Å²	38.2	23%	0.225	20%	0.2	C	C	.	.	H	α-helix	trans	-76.4	-28.2	-169.1	-60	-21.1	0	0	0	113.3	G140 I141 G142 K143 K144 E149 G150	G140-D147 WeakPolarHBondContact CA-OD1 3.36Å; I141-D147 PolarHBondContact N-OD1 3.06Å; G142-D147 WeakPolarHBondContact CA-OD2 3.31Å; G142-D147 PolarHBondContact N-OD2 2.9Å; K143-D147 PolarHBondContact N-OD2 3.49Å; K143-D147 PolarHBondContact O-N 3.38Å; K144-D147 PolarHBondContact O-N 2.7Å; D147-E149 PolarHBondContact O-N 2.75Å; D147-G150 PolarHBondContact O-N 2.82Å
148	D	93.9	Very high	97.2	Very high	61 Å²	61	42.5 Å²	42.5	33%	0.326	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.5	178.6	-64.6	-16.4	0	0	0	114.2	A118 D119 K144	A118-D148 WeakPolarHBondContact CA-O 3.37Å; D119-D148 PolarHBondContact N-O 2.84Å; D119-D148 VanDerWaalsContact N-O 3.12Å; K144-D148 IonicContact NZ-OD1 3.64Å; K144-D148 PolarHBondContact NZ-OD1 3.24Å; K144-D148 IonicContact NZ-OD2 2.67Å; K144-D148 PolarHBondContact NZ-OD2 2.66Å; K144-D148 VanDerWaalsContact O-CG 3.26Å; K144-D148 PolarHBondContact O-N 3.09Å
149	E	95.5	Very high	97.1	Very high	37 Å²	37	45.2 Å²	45.2	17%	0.173	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	0	177.6	-63.1	-164.2	-169	0	0	114	A118 Y123 A124 G125 D147 R151 R176	A118-E149 WeakPolarHBondContact CB-O 3.4Å; Y123-E149 HydrophobicContact CE1-CB 4.41Å; Y123-E149 HydrophobicContact CE1-CG 3.96Å; Y123-E149 VanDerWaalsContact CE1-OE2 3.29Å; Y123-E149 WeakPolarHBondContact CE1-OE2 3.34Å; Y123-E149 PolarHBondContact OH-OE1 2.87Å; Y123-E149 PolarHBondContact OH-OE2 3.43Å; A124-E149 VanDerWaalsContact CB-O 3.25Å; A124-E149 WeakPolarHBondContact CB-O 3.36Å; G125-E149 PolarHBondContact N-O 3.16Å; D147-E149 PolarHBondContact O-N 2.75Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 HydrophobicContact CB-CG 3.85Å; E149-R151 PolarHBondContact O-N 3.49Å; E149-R151 IonicContact OE2-CZ 2.72Å; E149-R151 IonicContact OE2-NE 3.69Å; E149-R151 PolarHBondContact OE2-NE 3.43Å; E149-R151 IonicContact OE2-NH2 3.83Å; E149-R151 PolarHBondContact OE2-NH2 2.8Å; E149-R176 VanDerWaalsContact CD-NH2 3.28Å; E149-R176 IonicContact OE1-CZ 2.83Å; E149-R176 IonicContact OE1-NH2 2.7Å; E149-R176 PolarHBondContact OE1-NH2 3.27Å; E149-R176 IonicContact OE2-CZ 3.67Å; E149-R176 IonicContact OE2-NH1 2.75Å; E149-R176 IonicContact OE2-NH2 3.26Å; E149-R176 PolarHBondContact OE2-NH2 3.37Å
150	G	97.1	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.21	C	C	.	.			trans	61.6	31.7	175.5	0	0	0	0	0	114.7	S116 G125 T126 D147	S116-G150 VanDerWaalsContact OG-CA 3.24Å; S116-G150 WeakPolarHBondContact OG-CA 3.42Å; G125-G150 CarbonylContact C-O 3.59Å; G125-G150 WeakPolarHBondContact CA-O 3.3Å; T126-G150 PolarHBondContact N-O 2.84Å; T126-G150 VanDerWaalsContact N-O 3.15Å; T126-G150 PolarHBondContact OG1-O 2.98Å; D147-G150 PolarHBondContact O-N 2.82Å
151	R	98.3	Very high	97.2	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	21%	0.213	C	C	.	.			trans	-85.3	-16.2	-166.7	-77.7	-179.4	176.8	-75.3	-10.7	116	Y123 T126 E149 A165 Y166 V167 W184	Y123-R151 PolarHBondContact OH-NH2 3.46Å; T126-R151 WeakPolarHBondContact CG2-O 3.41Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 HydrophobicContact CB-CG 3.85Å; E149-R151 PolarHBondContact O-N 3.49Å; E149-R151 IonicContact OE2-CZ 2.72Å; E149-R151 IonicContact OE2-NE 3.69Å; E149-R151 PolarHBondContact OE2-NE 3.43Å; E149-R151 IonicContact OE2-NH2 3.83Å; E149-R151 PolarHBondContact OE2-NH2 2.8Å; R151-A165 CarbonylContact O-C 3.46Å; R151-A165 WeakPolarHBondContact O-CA 2.97Å; R151-Y166 WeakPolarHBondContact CB-O 3.25Å; R151-Y166 VanDerWaalsContact CD-O 3.28Å; R151-Y166 WeakPolarHBondContact CD-O 3.34Å; R151-Y166 HydrophobicContact CG-CD1 4.2Å; R151-Y166 VanDerWaalsContact CG-O 3.3Å; R151-Y166 WeakPolarHBondContact CG-O 3.21Å; R151-Y166 PolarHBondContact NH1-O 3.28Å; R151-Y166 PolarHBondContact O-N 2.91Å; R151-V167 VanDerWaalsContact NH1-C 3.34Å; R151-V167 PolarHBondContact NH1-O 3.03Å; R151-W184 HydrophobicContact CB-CH2 3.55Å; R151-W184 HydrophobicContact CB-CZ2 4.11Å; R151-W184 HydrophobicContact CB-CZ3 4.35Å; R151-W184 HydrophobicContact CG-CH2 4.24Å
152	V	98.7	Very high	97.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.8	-173.6	-178.2	0	0	0	0	110.5	G140 I141 V163 T164 A165 W184 F188	G140-V152 PolarHBondContact N-O 3.2Å; I141-V152 HydrophobicContact CG2-CB 4.13Å; I141-V152 HydrophobicContact CG2-CG1 3.99Å; I141-V152 HydrophobicContact CG2-CG2 3.98Å; V152-V163 HydrophobicContact CG1-CG1 3.75Å; V152-T164 WeakPolarHBondContact CA-O 3.41Å; V152-A165 HydrophobicContact CG2-CB 4.47Å; V152-W184 HydrophobicContact CG2-CH2 4.07Å; V152-W184 HydrophobicContact CG2-CZ2 3.91Å; V152-F188 HydrophobicContact CG2-CE2 4.26Å
153	I	98.8	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127	162.9	-54.1	172.8	0	0	0	107.6	T126 V137 Y139 V163 T164	T126-I153 WeakPolarHBondContact OG1-CG1 3.36Å; V137-I153 HydrophobicContact CG1-CG2 3.51Å; Y139-I153 HydrophobicContact CD1-CG1 4.01Å; Y139-I153 HydrophobicContact CD1-CG2 4.4Å; Y139-I153 HydrophobicContact CE1-CD1 4.29Å; Y139-I153 HydrophobicContact CE1-CG1 4.22Å; Y139-I153 HydrophobicContact CE1-CG2 4.27Å; I153-V163 WeakPolarHBondContact O-CA 3.43Å; I153-T164 HydrophobicContact CB-CG2 3.67Å; I153-T164 HydrophobicContact CD1-CG2 4.48Å; I153-T164 HydrophobicContact CG1-CG2 4.33Å; I153-T164 PolarHBondContact N-O 3.48Å; I153-T164 WeakPolarHBondContact O-CG2 3.47Å; I153-T164 PolarHBondContact O-N 2.99Å
154	T	98.9	Very high	97.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.5	172.7	-60.5	0	0	0	0	109.1	V137 T138 Y161 L162 V163 Y191 L195	V137-T154 CarbonylContact C-O 3.53Å; V137-T154 WeakPolarHBondContact CA-O 3.31Å; T138-T154 PolarHBondContact N-O 2.83Å; T138-T154 PolarHBondContact O-N 2.76Å; T154-Y161 HydrophobicContact CG2-CD1 4.02Å; T154-L162 CarbonylContact C-O 3.56Å; T154-L162 WeakPolarHBondContact CA-O 3.36Å; T154-V163 HydrophobicContact CG2-CG2 4.07Å; T154-Y191 VanDerWaalsContact CB-OH 3.27Å; T154-Y191 WeakPolarHBondContact CB-OH 3.4Å; T154-Y191 WeakPolarHBondContact OG1-CE1 3.35Å; T154-Y191 PolarHBondContact OG1-OH 3.45Å; T154-L195 HydrophobicContact CG2-CD1 3.81Å; T154-L195 HydrophobicContact CG2-CD2 4.34Å
155	A	98.8	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.2	173.3	0	0	0	0	0	109.8	L128 P134 V137 Y157 L162	L128-A155 HydrophobicContact CD1-CB 3.73Å; L128-A155 HydrophobicContact CD2-CB 4.47Å; P134-A155 HydrophobicContact CB-CB 4.02Å; P134-A155 HydrophobicContact CG-CB 4.41Å; V137-A155 HydrophobicContact CG2-CB 4.42Å; A155-Y157 HydrophobicContact CB-CE2 3.65Å; A155-L162 PolarHBondContact N-O 2.6Å; A155-L162 PolarHBondContact O-N 3.25Å
156	E	98.7	Very high	97.9	Very high	37 Å²	37	22.7 Å²	22.7	17%	0.173	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.9	175.9	-175.6	166.1	-174.8	0	0	110.8	P134 I135 K136 Y161 K199	P134-E156 CarbonylContact C-O 3.59Å; P134-E156 VanDerWaalsContact CA-O 3.3Å; P134-E156 WeakPolarHBondContact CA-O 3.33Å; P134-E156 VanDerWaalsContact CB-O 3.3Å; P134-E156 WeakPolarHBondContact CB-O 3.47Å; I135-E156 HydrophobicContact CB-CB 4.36Å; I135-E156 HydrophobicContact CB-CG 4.22Å; I135-E156 HydrophobicContact CD1-CG 4.42Å; I135-E156 PolarHBondContact N-O 2.77Å; K136-E156 HydrophobicContact CB-CB 4.17Å; K136-E156 PolarHBondContact O-N 3.4Å; E156-Y161 HydrophobicContact CB-CD1 3.78Å; E156-Y161 HydrophobicContact CB-CE1 3.59Å; E156-Y161 HydrophobicContact CG-CD1 3.88Å; E156-Y161 HydrophobicContact CG-CE1 3.42Å; E156-Y161 VanDerWaalsContact CG-CE1 3.42Å; E156-Y161 PolarHBondContact OE1-OH 2.81Å; E156-Y161 WeakPolarHBondContact OE2-CE1 3.29Å; E156-Y161 PolarHBondContact OE2-OH 3.1Å; E156-K199 IonicContact OE1-NZ 3.53Å; E156-K199 PolarHBondContact OE1-NZ 2.98Å
157	Y	98.2	Very high	97.9	Very high	14 Å²	14	23 Å²	23	6%	0.055	11%	0.111	C	C	.	.			trans	-113.2	175.5	168.7	-60.4	-84.7	0	0	0	109.6	I89 S130 P134 A155 K159 F160 L162 K199	I89-Y157 HydrophobicContact CD1-CD2 4.22Å; I89-Y157 HydrophobicContact CD1-CE1 4.08Å; I89-Y157 HydrophobicContact CD1-CE2 3.48Å; I89-Y157 VanDerWaalsContact CD1-CE2 3.48Å; I89-Y157 VanDerWaalsContact CD1-CZ 3.41Å; I89-Y157 WeakPolarHBondContact CD1-OH 3.31Å; S130-Y157 WeakPolarHBondContact CB-OH 3.39Å; S130-Y157 PolarHBondContact OG-OH 2.85Å; S130-Y157 VanDerWaalsContact OG-OH 3.1Å; P134-Y157 HydrophobicContact CB-CD1 4.38Å; P134-Y157 HydrophobicContact CB-CE1 3.89Å; P134-Y157 HydrophobicContact CB-CE2 4.49Å; A155-Y157 HydrophobicContact CB-CE2 3.65Å; Y157-K159 PolarHBondContact O-N 2.91Å; Y157-F160 HydrophobicContact CD2-CD2 4.05Å; Y157-F160 AromaticContact CD2-CE2 3.46Å; Y157-F160 HydrophobicContact CD2-CE2 3.46Å; Y157-F160 VanDerWaalsContact CD2-CE2 3.46Å; Y157-F160 AromaticContact CD2-CZ 3.95Å; Y157-F160 HydrophobicContact CD2-CZ 3.95Å; Y157-F160 HydrophobicContact CE2-CE2 4.11Å; Y157-F160 HydrophobicContact CG-CE2 4.08Å; Y157-F160 HydrophobicContact CG-CZ 4.12Å; Y157-F160 PolarHBondContact N-O 2.95Å; Y157-L162 HydrophobicContact CD2-CB 4.4Å; Y157-L162 HydrophobicContact CE2-CB 4.05Å; Y157-L162 HydrophobicContact CE2-CD2 4.46Å; Y157-K199 WeakPolarHBondContact O-CD 3.5Å; Y157-K199 PolarHBondContact O-NZ 2.92Å
158	D	96.8	Very high	98	Very high	121 Å²	121	21 Å²	21	65%	0.647	10%	0.101	S	C	*	.	S	Bend	trans	-54.3	-52.3	-179.9	-178.6	58.4	0	0	0	112	K199	D158-K199 WeakPolarHBondContact O-CE 3.49Å; D158-K199 PolarHBondContact O-NZ 3.4Å
159	K	97	Very high	98.2	Very high	109 Å²	109	20.5 Å²	20.5	47%	0.474	10%	0.098	S	C	.	.	S	Bend	trans	-98.1	-18.1	-171	-59.1	-173.3	179.7	-178.6	0	115.6	Y157 P200 I314	Y157-K159 PolarHBondContact O-N 2.91Å; K159-P200 WeakPolarHBondContact O-CD 3.22Å; K159-I314 HydrophobicContact CD-CB 4.4Å; K159-I314 PolarHBondContact NZ-OXT 2.79Å
160	F	98.4	Very high	98.3	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.035	9%	0.09	C	C	.	.			trans	-150.4	157.5	-178.4	58.7	-88.5	0	0	0	113	F60 I62 I89 Y157 L162 P200 I202 I314	F60-F160 HydrophobicContact CE1-CE1 4.4Å; F60-F160 AromaticContact CE1-CZ 3.76Å; F60-F160 HydrophobicContact CE1-CZ 3.76Å; F60-F160 HydrophobicContact CZ-CZ 4.26Å; I62-F160 HydrophobicContact CD1-CE2 4.26Å; I62-F160 HydrophobicContact CD1-CZ 4.4Å; I89-F160 HydrophobicContact CD1-CE2 4.26Å; I89-F160 HydrophobicContact CD1-CZ 4.28Å; Y157-F160 HydrophobicContact CD2-CD2 4.05Å; Y157-F160 AromaticContact CD2-CE2 3.46Å; Y157-F160 HydrophobicContact CD2-CE2 3.46Å; Y157-F160 VanDerWaalsContact CD2-CE2 3.46Å; Y157-F160 AromaticContact CD2-CZ 3.95Å; Y157-F160 HydrophobicContact CD2-CZ 3.95Å; Y157-F160 HydrophobicContact CE2-CE2 4.11Å; Y157-F160 HydrophobicContact CG-CE2 4.08Å; Y157-F160 HydrophobicContact CG-CZ 4.12Å; Y157-F160 PolarHBondContact N-O 2.95Å; F160-L162 HydrophobicContact CD2-CB 4.19Å; F160-L162 HydrophobicContact CE2-CB 4.05Å; F160-P200 CarbonylContact C-O 3.56Å; F160-P200 WeakPolarHBondContact CA-O 3.36Å; F160-P200 HydrophobicContact CB-CB 4.48Å; F160-P200 WeakPolarHBondContact CB-O 3.48Å; F160-I202 HydrophobicContact CB-CD1 4.48Å; F160-I202 HydrophobicContact CB-CG1 4.49Å; F160-I202 HydrophobicContact CD1-CD1 4.42Å; F160-I202 HydrophobicContact CD2-CD1 3.88Å; F160-I202 HydrophobicContact CD2-CG1 4.31Å; F160-I202 HydrophobicContact CE2-CD1 4.23Å; F160-I202 HydrophobicContact CG-CD1 4.01Å; F160-I202 HydrophobicContact CG-CG1 4.46Å; F160-I314 HydrophobicContact CE1-CD1 4.02Å; F160-I314 HydrophobicContact CE1-CG2 4.38Å
161	Y	98.8	Very high	98.2	Very high	25 Å²	25	19.4 Å²	19.4	10%	0.098	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.8	155.5	-69.6	-69.7	0	0	0	109.3	T154 E156 L195 K199 P200 V201 I202	T154-Y161 HydrophobicContact CG2-CD1 4.02Å; E156-Y161 HydrophobicContact CB-CD1 3.78Å; E156-Y161 HydrophobicContact CB-CE1 3.59Å; E156-Y161 HydrophobicContact CG-CD1 3.88Å; E156-Y161 HydrophobicContact CG-CE1 3.42Å; E156-Y161 VanDerWaalsContact CG-CE1 3.42Å; E156-Y161 PolarHBondContact OE1-OH 2.81Å; E156-Y161 WeakPolarHBondContact OE2-CE1 3.29Å; E156-Y161 PolarHBondContact OE2-OH 3.1Å; Y161-L195 HydrophobicContact CD1-CD2 4.17Å; Y161-L195 HydrophobicContact CD2-CB 3.83Å; Y161-L195 HydrophobicContact CD2-CD2 4Å; Y161-L195 HydrophobicContact CD2-CG 4.39Å; Y161-L195 HydrophobicContact CE1-CD2 4.18Å; Y161-L195 HydrophobicContact CE2-CB 4.26Å; Y161-L195 HydrophobicContact CE2-CD2 4Å; Y161-L195 HydrophobicContact CG-CB 4.37Å; Y161-L195 HydrophobicContact CG-CD1 4.49Å; Y161-L195 HydrophobicContact CG-CD2 4.11Å; Y161-K199 HydrophobicContact CD2-CB 3.86Å; Y161-K199 HydrophobicContact CD2-CD 4.45Å; Y161-K199 HydrophobicContact CD2-CG 4.44Å; Y161-K199 HydrophobicContact CE2-CB 3.63Å; Y161-K199 HydrophobicContact CE2-CD 4.39Å; Y161-K199 HydrophobicContact CE2-CG 4.49Å; Y161-P200 PolarHBondContact N-O 3.44Å; Y161-V201 HydrophobicContact CD2-CG2 4.48Å; Y161-V201 WeakPolarHBondContact O-CA 3.36Å; Y161-I202 PolarHBondContact O-N 3.29Å
162	L	98.9	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	167.4	178.6	62.6	0	0	0	109.5	I62 I89 L128 T154 A155 Y157 F160 I202	I62-L162 HydrophobicContact CD1-CD1 4.3Å; I62-L162 HydrophobicContact CD1-CD2 4.44Å; I62-L162 HydrophobicContact CG2-CD1 4.29Å; I62-L162 HydrophobicContact CG2-CD2 4.1Å; I89-L162 HydrophobicContact CB-CD2 4.1Å; I89-L162 HydrophobicContact CD1-CD2 3.63Å; I89-L162 HydrophobicContact CG1-CD2 4.45Å; I89-L162 HydrophobicContact CG2-CD2 3.56Å; L128-L162 HydrophobicContact CD1-CD2 4.03Å; L128-L162 HydrophobicContact CD1-CG 4.46Å; T154-L162 CarbonylContact C-O 3.56Å; T154-L162 WeakPolarHBondContact CA-O 3.36Å; A155-L162 PolarHBondContact N-O 2.6Å; A155-L162 PolarHBondContact O-N 3.25Å; Y157-L162 HydrophobicContact CD2-CB 4.4Å; Y157-L162 HydrophobicContact CE2-CB 4.05Å; Y157-L162 HydrophobicContact CE2-CD2 4.46Å; F160-L162 HydrophobicContact CD2-CB 4.19Å; F160-L162 HydrophobicContact CE2-CB 4.05Å; L162-I202 CarbonylContact C-O 3.51Å; L162-I202 WeakPolarHBondContact CA-O 3.19Å; L162-I202 HydrophobicContact CD1-CB 3.96Å; L162-I202 HydrophobicContact CD1-CG2 3.73Å
163	V	98.9	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	103.8	179	-175.3	0	0	0	0	108.4	V152 I153 T154 F188 L192 L195 V201 I202 V203 C204	V152-V163 HydrophobicContact CG1-CG1 3.75Å; I153-V163 WeakPolarHBondContact O-CA 3.43Å; T154-V163 HydrophobicContact CG2-CG2 4.07Å; V163-F188 HydrophobicContact CG1-CE2 4.06Å; V163-F188 HydrophobicContact CG1-CZ 4.25Å; V163-L192 HydrophobicContact CB-CD2 4.34Å; V163-L192 HydrophobicContact CG1-CD2 4.24Å; V163-L192 HydrophobicContact CG2-CD2 4Å; V163-L195 HydrophobicContact CG2-CD1 3.65Å; V163-V201 HydrophobicContact CG2-CG1 3.96Å; V163-I202 PolarHBondContact N-O 2.88Å; V163-V203 HydrophobicContact CB-CG1 4.42Å; V163-V203 HydrophobicContact CB-CG2 4.47Å; V163-V203 CarbonylContact O-C 3.6Å; V163-V203 WeakPolarHBondContact O-CA 3.21Å; V163-C204 PolarHBondContact O-N 2.93Å
164	T	98.9	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	166.9	170.1	0	0	0	0	109.1	C91 Q93 L128 V152 I153 C204	C91-T164 HydrophobicContact CB-CG2 4.42Å; Q93-T164 PolarHBondContact NE2-OG1 3.32Å; L128-T164 HydrophobicContact CB-CG2 4.29Å; L128-T164 HydrophobicContact CD1-CG2 4.2Å; V152-T164 WeakPolarHBondContact CA-O 3.41Å; I153-T164 HydrophobicContact CB-CG2 3.67Å; I153-T164 HydrophobicContact CD1-CG2 4.48Å; I153-T164 HydrophobicContact CG1-CG2 4.33Å; I153-T164 PolarHBondContact N-O 3.48Å; I153-T164 WeakPolarHBondContact O-CG2 3.47Å; I153-T164 PolarHBondContact O-N 2.99Å; T164-C204 CarbonylContact C-O 3.44Å; T164-C204 WeakPolarHBondContact CA-O 3.35Å
165	A	98.8	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	-174.3	0	0	0	0	0	111.9	Q93 R151 V152 F188 V203 C204 G205 D206 L207	Q93-A165 WeakPolarHBondContact CG-O 3.25Å; R151-A165 CarbonylContact O-C 3.46Å; R151-A165 WeakPolarHBondContact O-CA 2.97Å; V152-A165 HydrophobicContact CG2-CB 4.47Å; A165-F188 HydrophobicContact CB-CE1 4.47Å; A165-F188 HydrophobicContact CB-CE2 4.29Å; A165-F188 HydrophobicContact CB-CZ 3.73Å; A165-V203 HydrophobicContact CB-CG1 4.45Å; A165-C204 PolarHBondContact N-O 3.39Å; A165-G205 WeakPolarHBondContact O-CA 3.09Å; A165-D206 PolarHBondContact O-N 3.03Å; A165-L207 HydrophobicContact CB-CD2 4.1Å
166	Y	98.7	Very high	97.6	Very high	15 Å²	15	41 Å²	41	6%	0.059	22%	0.219	C	C	.	.			trans	-118.6	93.5	165.8	174.6	-129.5	0	0	0	108.4	Q93 E94 A124 R151 D206 N208	Q93-Y166 HydrophobicContact CB-CD2 4.31Å; Q93-Y166 HydrophobicContact CB-CG 4.34Å; E94-Y166 HydrophobicContact CG-CD1 4.07Å; E94-Y166 HydrophobicContact CG-CD2 3.94Å; E94-Y166 HydrophobicContact CG-CE1 3.61Å; E94-Y166 HydrophobicContact CG-CE2 3.42Å; E94-Y166 VanDerWaalsContact CG-CE2 3.42Å; E94-Y166 HydrophobicContact CG-CG 4.25Å; E94-Y166 WeakPolarHBondContact OE1-CE2 3.13Å; E94-Y166 PolarHBondContact OE1-OH 2.85Å; A124-Y166 HydrophobicContact CB-CD1 3.88Å; A124-Y166 HydrophobicContact CB-CE1 3.74Å; R151-Y166 WeakPolarHBondContact CB-O 3.25Å; R151-Y166 VanDerWaalsContact CD-O 3.28Å; R151-Y166 WeakPolarHBondContact CD-O 3.34Å; R151-Y166 HydrophobicContact CG-CD1 4.2Å; R151-Y166 VanDerWaalsContact CG-O 3.3Å; R151-Y166 WeakPolarHBondContact CG-O 3.21Å; R151-Y166 PolarHBondContact NH1-O 3.28Å; R151-Y166 PolarHBondContact O-N 2.91Å; Y166-D206 HydrophobicContact CD2-CB 4.19Å; Y166-D206 WeakPolarHBondContact CE2-OD2 3.31Å; Y166-N208 WeakPolarHBondContact CE2-ND2 3.45Å
167	V	98.5	Very high	97.5	Very high	5 Å²	5	40 Å²	40	3%	0.03	22%	0.215	C	C	.	.			trans	-68.6	141.3	-174.6	174.6	0	0	0	0	110.3	R151 N169 D206 L207 N208	R151-V167 VanDerWaalsContact NH1-C 3.34Å; R151-V167 PolarHBondContact NH1-O 3.03Å; V167-N169 PolarHBondContact O-N 2.87Å; V167-N169 VanDerWaalsContact O-N 3.08Å; V167-D206 PolarHBondContact N-O 2.8Å; V167-L207 HydrophobicContact CG2-CB 4.14Å; V167-L207 HydrophobicContact CG2-CD2 3.68Å; V167-N208 PolarHBondContact O-ND2 3.3Å; V167-N208 VanDerWaalsContact O-ND2 3.1Å
168	P	98	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.			trans	-55.4	110.7	174.9	-28.1	36.4	0	0	0	113.7	S170 Y179 W184	P168-S170 PolarHBondContact O-N 2.78Å; P168-Y179 HydrophobicContact CB-CD1 4.34Å; P168-Y179 HydrophobicContact CB-CE1 3.93Å; P168-Y179 HydrophobicContact CG-CE1 3.74Å; P168-W184 VanDerWaalsContact CD-CD2 3.43Å; P168-W184 HydrophobicContact CG-CB 4.28Å; P168-W184 HydrophobicContact CG-CD2 3.48Å; P168-W184 VanDerWaalsContact CG-CD2 3.48Å; P168-W184 HydrophobicContact CG-CE3 3.67Å; P168-W184 HydrophobicContact CG-CG 3.69Å; P168-W184 HydrophobicContact CG-CZ3 4.3Å
169	N	97.8	Very high	97.6	Very high	51 Å²	51	38.5 Å²	38.5	27%	0.273	21%	0.209	S	C	.	.			trans	-56.9	133.8	163.6	-171.9	-86.3	0	0	0	110.4	V167 G171 N208	V167-N169 PolarHBondContact O-N 2.87Å; V167-N169 VanDerWaalsContact O-N 3.08Å; N169-G171 PolarHBondContact O-N 2.82Å; N169-G171 VanDerWaalsContact O-N 3.15Å; N169-G171 WeakPolarHBondContact OD1-CA 3.45Å; N169-G171 PolarHBondContact OD1-N 2.92Å; N169-N208 HydrophobicContact CB-CB 4.47Å; N169-N208 VanDerWaalsContact CB-OD1 3.32Å; N169-N208 WeakPolarHBondContact CB-OD1 3.48Å; N169-N208 PolarHBondContact ND2-OD1 3.5Å
170	S	98	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.			trans	-66.3	-11.4	-179.7	-68.7	0	0	0	0	114.8	P168 L174 I175 R176 L177 R180 E232	P168-S170 PolarHBondContact O-N 2.78Å; S170-L174 CarbonylContact O-C 3.59Å; S170-L174 WeakPolarHBondContact O-CA 3.38Å; S170-I175 PolarHBondContact O-N 2.98Å; S170-R176 PolarHBondContact O-N 3Å; S170-L177 WeakPolarHBondContact OG-CA 3.14Å; S170-L177 WeakPolarHBondContact OG-CD1 3.25Å; S170-R180 WeakPolarHBondContact OG-CD 3.25Å; S170-E232 WeakPolarHBondContact CB-OE1 3.36Å; S170-E232 PolarHBondContact OG-OE1 3.16Å
171	G	95	Very high	97.6	Very high	16 Å²	16	37 Å²	37	17%	0.165	20%	0.204	C	C	.	.			trans	79.9	169.1	169.2	0	0	0	0	0	114.7	N169 G173 L174	N169-G171 PolarHBondContact O-N 2.82Å; N169-G171 VanDerWaalsContact O-N 3.15Å; N169-G171 WeakPolarHBondContact OD1-CA 3.45Å; N169-G171 PolarHBondContact OD1-N 2.92Å; G171-G173 PolarHBondContact O-N 3.3Å; G171-L174 PolarHBondContact O-N 2.85Å
172	Q	92.4	Very high	97.6	Very high	165 Å²	165	42.7 Å²	42.7	77%	0.771	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-62.2	129.1	176.9	-177.2	172.6	-3.4	0	0	110.6	L174	Q172-L174 PolarHBondContact O-N 3.1Å
173	G	95.5	Very high	97.5	Very high	71 Å²	71	46.6 Å²	46.6	73%	0.732	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	70.2	17	-174.2	0	0	0	0	0	114	G171 I175	G171-G173 PolarHBondContact O-N 3.3Å; G173-I175 PolarHBondContact O-N 2.8Å
174	L	97.1	Very high	97.5	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.225	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	59.4	25.3	176.7	-53.7	176.2	0	0	0	114	S170 G171 Q172 R176 L177 A226 T229	S170-L174 CarbonylContact O-C 3.59Å; S170-L174 WeakPolarHBondContact O-CA 3.38Å; G171-L174 PolarHBondContact O-N 2.85Å; Q172-L174 PolarHBondContact O-N 3.1Å; L174-R176 PolarHBondContact O-N 2.89Å; L174-R176 VanDerWaalsContact O-N 3.07Å; L174-L177 HydrophobicContact CB-CB 3.95Å; L174-L177 HydrophobicContact CB-CD2 4.23Å; L174-L177 HydrophobicContact CD1-CD2 4.09Å; L174-L177 VanDerWaalsContact O-CB 3.28Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 3.28Å; L174-A226 HydrophobicContact CD2-CB 4.02Å; L174-T229 HydrophobicContact CD1-CG2 3.81Å; L174-T229 HydrophobicContact CD2-CG2 3.64Å; L174-T229 HydrophobicContact CG-CG2 4.39Å
175	I	97.7	Very high	97.5	Very high	136 Å²	136	47.7 Å²	47.7	70%	0.697	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.8	-175.2	55.8	164.8	0	0	0	114.9	S170 G173	S170-I175 PolarHBondContact O-N 2.98Å; G173-I175 PolarHBondContact O-N 2.8Å
176	R	96.8	Very high	97.5	Very high	46 Å²	46	50 Å²	50	17%	0.174	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	1.1	175.1	-62.5	-175.5	76.8	-169.4	16.7	113.2	Y123 E149 S170 L174 Y179 R180	Y123-R176 PolarHBondContact OH-NH1 2.83Å; E149-R176 VanDerWaalsContact CD-NH2 3.28Å; E149-R176 IonicContact OE1-CZ 2.83Å; E149-R176 IonicContact OE1-NH2 2.7Å; E149-R176 PolarHBondContact OE1-NH2 3.27Å; E149-R176 IonicContact OE2-CZ 3.67Å; E149-R176 IonicContact OE2-NH1 2.75Å; E149-R176 IonicContact OE2-NH2 3.26Å; E149-R176 PolarHBondContact OE2-NH2 3.37Å; S170-R176 PolarHBondContact O-N 3Å; L174-R176 PolarHBondContact O-N 2.89Å; L174-R176 VanDerWaalsContact O-N 3.07Å; R176-Y179 PolarHBondContact O-N 2.57Å; R176-R180 PolarHBondContact O-N 3.12Å
177	L	98.1	Very high	97.5	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-43.6	177.5	-176.1	61.1	0	0	0	112.6	S170 L174 Y179 R180 E181 T229 Q231 E232	S170-L177 WeakPolarHBondContact OG-CA 3.14Å; S170-L177 WeakPolarHBondContact OG-CD1 3.25Å; L174-L177 HydrophobicContact CB-CB 3.95Å; L174-L177 HydrophobicContact CB-CD2 4.23Å; L174-L177 HydrophobicContact CD1-CD2 4.09Å; L174-L177 VanDerWaalsContact O-CB 3.28Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 3.28Å; L177-Y179 VanDerWaalsContact C-N 3.33Å; L177-Y179 PolarHBondContact O-N 3.36Å; L177-R180 PolarHBondContact O-N 2.78Å; L177-E181 VanDerWaalsContact O-CB 3.28Å; L177-E181 WeakPolarHBondContact O-CB 3.31Å; L177-E181 PolarHBondContact O-N 2.69Å; L177-T229 HydrophobicContact CD2-CG2 4.36Å; L177-Q231 HydrophobicContact CD1-CB 4.01Å; L177-Q231 HydrophobicContact CD2-CB 4.3Å; L177-Q231 HydrophobicContact CD2-CG 4.34Å; L177-Q231 HydrophobicContact CG-CB 4.46Å; L177-E232 HydrophobicContact CD1-CG 3.78Å
178	P	98.1	Very high	97.5	Very high	68 Å²	68	51 Å²	51	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-39	177.2	-24.1	35.4	0	0	0	113.3	K182	P178-K182 VanDerWaalsContact O-CB 3.23Å; P178-K182 WeakPolarHBondContact O-CB 3.31Å; P178-K182 WeakPolarHBondContact O-CG 3.47Å; P178-K182 PolarHBondContact O-N 2.92Å
179	Y	98	Very high	97.5	Very high	36 Å²	36	51.9 Å²	51.9	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-41.3	176	163.9	-100.8	0	0	0	111.8	M145 H146 P168 R176 L177 E183 W184	M145-Y179 HydrophobicContact CE-CE2 4.33Å; M145-Y179 PolarHBondContact O-OH 2.59Å; H146-Y179 AromaticContact CE1-CE2 3.61Å; H146-Y179 AromaticContact CE1-CZ 3.86Å; H146-Y179 AromaticContact ND1-CE2 3.66Å; H146-Y179 AromaticContact ND1-CZ 3.59Å; H146-Y179 PolarHBondContact ND1-OH 2.83Å; P168-Y179 HydrophobicContact CB-CD1 4.34Å; P168-Y179 HydrophobicContact CB-CE1 3.93Å; P168-Y179 HydrophobicContact CG-CE1 3.74Å; R176-Y179 PolarHBondContact O-N 2.57Å; L177-Y179 VanDerWaalsContact C-N 3.33Å; L177-Y179 PolarHBondContact O-N 3.36Å; Y179-E183 WeakPolarHBondContact CA-OE1 3.39Å; Y179-E183 HydrophobicContact CD2-CB 4.15Å; Y179-E183 HydrophobicContact CE2-CB 4.49Å; Y179-E183 WeakPolarHBondContact O-CB 3.28Å; Y179-E183 PolarHBondContact O-N 2.86Å; Y179-E183 VanDerWaalsContact O-N 3.14Å; Y179-W184 HydrophobicContact CE1-CB 4.31Å; Y179-W184 HydrophobicContact CE1-CE3 4.5Å; Y179-W184 PolarHBondContact O-N 3.48Å
180	R	97.9	Very high	97.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.015	29%	0.291	C	S	.	.	I	π-helix	trans	-62.4	-56.1	175.9	-178.4	-176.9	177.8	152.5	14.3	111.2	S170 R176 L177 K182 D185 L207 N208 E232	S170-R180 WeakPolarHBondContact OG-CD 3.25Å; R176-R180 PolarHBondContact O-N 3.12Å; L177-R180 PolarHBondContact O-N 2.78Å; R180-K182 PolarHBondContact O-N 2.95Å; R180-D185 WeakPolarHBondContact CG-OD2 3.4Å; R180-D185 IonicContact NE-OD1 3.17Å; R180-D185 IonicContact NE-OD2 2.63Å; R180-D185 PolarHBondContact NE-OD2 3.43Å; R180-D185 WeakPolarHBondContact O-CB 3.26Å; R180-D185 PolarHBondContact O-N 3.2Å; R180-L207 PolarHBondContact NH2-O 2.89Å; R180-N208 PolarHBondContact NH1-O 2.88Å; R180-E232 IonicContact CZ-OE1 3.04Å; R180-E232 IonicContact NH1-OE1 2.77Å; R180-E232 PolarHBondContact NH1-OE1 2.94Å
181	E	97.9	Very high	97.6	Very high	82 Å²	82	56.3 Å²	56.3	38%	0.383	30%	0.297	S	S	.	.	I	π-helix	trans	-62.9	-42.2	-174.7	178.7	-169.1	-144	0	0	113	L177 P186 Q231	L177-E181 VanDerWaalsContact O-CB 3.28Å; L177-E181 WeakPolarHBondContact O-CB 3.31Å; L177-E181 PolarHBondContact O-N 2.69Å; E181-P186 WeakPolarHBondContact O-CD 3.49Å; E181-P186 WeakPolarHBondContact O-CG 3.38Å; E181-Q231 WeakPolarHBondContact OE1-CG 3.37Å
182	K	98	Very high	97.8	Very high	145 Å²	145	55.7 Å²	55.7	63%	0.63	29%	0.289	S	S	*	.	I	π-helix	trans	-103.2	-20.1	-166.7	-57.2	179.2	-177.8	-178.9	0	114.5	P178 R180	P178-K182 VanDerWaalsContact O-CB 3.23Å; P178-K182 WeakPolarHBondContact O-CB 3.31Å; P178-K182 WeakPolarHBondContact O-CG 3.47Å; P178-K182 PolarHBondContact O-N 2.92Å; R180-K182 PolarHBondContact O-N 2.95Å
183	E	98.2	Very high	98.1	Very high	81 Å²	81	53.7 Å²	53.7	38%	0.379	28%	0.275	S	S	.	.	I	π-helix	trans	-122	-63.5	-173.6	-56.3	170.4	-90.9	0	0	110.1	M145 Y179 D187	M145-E183 HydrophobicContact CE-CB 3.91Å; M145-E183 HydrophobicContact CE-CG 4.17Å; M145-E183 WeakPolarHBondContact CE-OE2 3.48Å; Y179-E183 WeakPolarHBondContact CA-OE1 3.39Å; Y179-E183 HydrophobicContact CD2-CB 4.15Å; Y179-E183 HydrophobicContact CE2-CB 4.49Å; Y179-E183 WeakPolarHBondContact O-CB 3.28Å; Y179-E183 PolarHBondContact O-N 2.86Å; Y179-E183 VanDerWaalsContact O-N 3.14Å; E183-D187 WeakPolarHBondContact O-CB 3.48Å; E183-D187 PolarHBondContact O-N 3.11Å; E183-D187 VanDerWaalsContact O-N 3.16Å
184	W	98.5	Very high	98.2	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	27%	0.27	C	S	.	.	I	π-helix	trans	-66.4	-56.9	-173.5	-177	-82	0	0	0	114.3	H146 R151 V152 P168 Y179 D187 F188	H146-W184 HydrophobicContact CB-CE3 3.76Å; H146-W184 HydrophobicContact CB-CH2 4.25Å; H146-W184 HydrophobicContact CB-CZ3 3.38Å; H146-W184 AromaticContact CG-CE3 3.61Å; H146-W184 AromaticContact CG-CZ3 3.8Å; H146-W184 AromaticContact ND1-CE3 3.43Å; H146-W184 AromaticContact ND1-CZ3 3.98Å; R151-W184 HydrophobicContact CB-CH2 3.55Å; R151-W184 HydrophobicContact CB-CZ2 4.11Å; R151-W184 HydrophobicContact CB-CZ3 4.35Å; R151-W184 HydrophobicContact CG-CH2 4.24Å; V152-W184 HydrophobicContact CG2-CH2 4.07Å; V152-W184 HydrophobicContact CG2-CZ2 3.91Å; P168-W184 VanDerWaalsContact CD-CD2 3.43Å; P168-W184 HydrophobicContact CG-CB 4.28Å; P168-W184 HydrophobicContact CG-CD2 3.48Å; P168-W184 VanDerWaalsContact CG-CD2 3.48Å; P168-W184 HydrophobicContact CG-CE3 3.67Å; P168-W184 HydrophobicContact CG-CG 3.69Å; P168-W184 HydrophobicContact CG-CZ3 4.3Å; Y179-W184 HydrophobicContact CE1-CB 4.31Å; Y179-W184 HydrophobicContact CE1-CE3 4.5Å; Y179-W184 PolarHBondContact O-N 3.48Å; W184-D187 PolarHBondContact O-N 2.97Å; W184-F188 VanDerWaalsContact O-CB 3.27Å; W184-F188 WeakPolarHBondContact O-CB 3.27Å; W184-F188 PolarHBondContact O-N 3.23Å
185	D	98.6	Very high	98.3	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-39.7	-174.1	-69.9	-8.7	0	0	0	111.6	R180 L189	R180-D185 WeakPolarHBondContact CG-OD2 3.4Å; R180-D185 IonicContact NE-OD1 3.17Å; R180-D185 IonicContact NE-OD2 2.63Å; R180-D185 PolarHBondContact NE-OD2 3.43Å; R180-D185 WeakPolarHBondContact O-CB 3.26Å; R180-D185 PolarHBondContact O-N 3.2Å; D185-L189 VanDerWaalsContact O-CB 3.31Å; D185-L189 WeakPolarHBondContact O-CB 3.36Å; D185-L189 PolarHBondContact O-N 2.94Å
186	P	98.5	Very high	98.3	Very high	48 Å²	48	51 Å²	51	31%	0.312	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-45.2	171.6	-25.3	36.2	0	0	0	114.8	E181 L189 E190	E181-P186 WeakPolarHBondContact O-CD 3.49Å; E181-P186 WeakPolarHBondContact O-CG 3.38Å; P186-L189 PolarHBondContact O-N 3.01Å; P186-E190 PolarHBondContact O-N 2.99Å; P186-E190 VanDerWaalsContact O-N 3.11Å
187	D	98.6	Very high	98.3	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.214	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-35.2	179.6	-88.6	-14.1	0	0	0	112	I141 K143 H146 E183 W184 Y191	I141-D187 HydrophobicContact CD1-CB 4.16Å; K143-D187 WeakPolarHBondContact CG-OD2 3.16Å; K143-D187 IonicContact NZ-OD1 2.72Å; K143-D187 PolarHBondContact NZ-OD1 3.34Å; K143-D187 IonicContact NZ-OD2 3.56Å; K143-D187 PolarHBondContact NZ-OD2 3.33Å; H146-D187 IonicContact CD2-OD2 3.77Å; H146-D187 IonicContact NE2-OD2 3.78Å; H146-D187 PolarHBondContact NE2-OD2 3Å; E183-D187 WeakPolarHBondContact O-CB 3.48Å; E183-D187 PolarHBondContact O-N 3.11Å; E183-D187 VanDerWaalsContact O-N 3.16Å; W184-D187 PolarHBondContact O-N 2.97Å; D187-Y191 WeakPolarHBondContact O-CB 3.49Å; D187-Y191 PolarHBondContact O-N 3.31Å
188	F	98.7	Very high	98.3	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-68.1	-40.8	174.7	-172.2	-125	0	0	0	111.8	I141 V152 V163 A165 W184 Y191 L192 V203 L239	I141-F188 HydrophobicContact CG2-CD2 4.19Å; V152-F188 HydrophobicContact CG2-CE2 4.26Å; V163-F188 HydrophobicContact CG1-CE2 4.06Å; V163-F188 HydrophobicContact CG1-CZ 4.25Å; A165-F188 HydrophobicContact CB-CE1 4.47Å; A165-F188 HydrophobicContact CB-CE2 4.29Å; A165-F188 HydrophobicContact CB-CZ 3.73Å; W184-F188 VanDerWaalsContact O-CB 3.27Å; W184-F188 WeakPolarHBondContact O-CB 3.27Å; W184-F188 PolarHBondContact O-N 3.23Å; F188-Y191 WeakPolarHBondContact O-CB 3.48Å; F188-Y191 PolarHBondContact O-N 3.27Å; F188-L192 HydrophobicContact CD1-CD1 3.99Å; F188-L192 HydrophobicContact CD2-CG 4.44Å; F188-L192 HydrophobicContact CE1-CD1 3.66Å; F188-L192 HydrophobicContact CE1-CG 4.4Å; F188-L192 HydrophobicContact CE2-CD1 4.33Å; F188-L192 HydrophobicContact CE2-CD2 4.16Å; F188-L192 HydrophobicContact CE2-CG 4.2Å; F188-L192 HydrophobicContact CG-CD1 4.46Å; F188-L192 HydrophobicContact CZ-CD1 3.84Å; F188-L192 HydrophobicContact CZ-CD2 4.12Å; F188-L192 HydrophobicContact CZ-CG 4.17Å; F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.32Å; F188-L192 PolarHBondContact O-N 2.83Å; F188-V203 HydrophobicContact CE1-CG1 4.47Å; F188-V203 HydrophobicContact CZ-CG1 4.03Å; F188-L239 HydrophobicContact CD1-CD1 4.37Å
189	L	98.7	Very high	98.3	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-50.1	172.3	166.7	57.5	0	0	0	111.8	D185 P186 Y191 L192 R193 K238 L239 A243	D185-L189 VanDerWaalsContact O-CB 3.31Å; D185-L189 WeakPolarHBondContact O-CB 3.36Å; D185-L189 PolarHBondContact O-N 2.94Å; P186-L189 PolarHBondContact O-N 3.01Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 2.96Å; L189-L192 PolarHBondContact O-N 2.72Å; L189-R193 HydrophobicContact CD1-CG 4.02Å; L189-R193 WeakPolarHBondContact O-CG 3.49Å; L189-R193 PolarHBondContact O-N 3.12Å; L189-K238 HydrophobicContact CD2-CG 4.41Å; L189-L239 HydrophobicContact CB-CD1 3.77Å; L189-L239 HydrophobicContact CD1-CD1 4.17Å; L189-A243 HydrophobicContact CD1-CB 3.78Å
190	E	98.6	Very high	98.3	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-37.8	-180	-176.6	57.8	-163.1	0	0	112	P186 R193 K194	P186-E190 PolarHBondContact O-N 2.99Å; P186-E190 VanDerWaalsContact O-N 3.11Å; E190-R193 PolarHBondContact O-N 3.26Å; E190-K194 WeakPolarHBondContact O-CB 3.46Å; E190-K194 PolarHBondContact O-N 2.87Å
191	Y	98.7	Very high	98.3	Very high	31 Å²	31	55 Å²	55	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-47.7	173.1	179.8	-99.8	0	0	0	112.4	I141 T154 D187 F188 L189 K194 L195	I141-Y191 HydrophobicContact CB-CD1 4.2Å; I141-Y191 HydrophobicContact CB-CD2 3.68Å; I141-Y191 HydrophobicContact CB-CE2 4.1Å; I141-Y191 HydrophobicContact CB-CG 3.73Å; I141-Y191 HydrophobicContact CG2-CD1 3.64Å; I141-Y191 HydrophobicContact CG2-CD2 4.03Å; I141-Y191 HydrophobicContact CG2-CE1 3.89Å; I141-Y191 HydrophobicContact CG2-CE2 4.26Å; I141-Y191 HydrophobicContact CG2-CG 3.7Å; I141-Y191 WeakPolarHBondContact O-CD2 3.35Å; T154-Y191 VanDerWaalsContact CB-OH 3.27Å; T154-Y191 WeakPolarHBondContact CB-OH 3.4Å; T154-Y191 WeakPolarHBondContact OG1-CE1 3.35Å; T154-Y191 PolarHBondContact OG1-OH 3.45Å; D187-Y191 WeakPolarHBondContact O-CB 3.49Å; D187-Y191 PolarHBondContact O-N 3.31Å; F188-Y191 WeakPolarHBondContact O-CB 3.48Å; F188-Y191 PolarHBondContact O-N 3.27Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 2.96Å; Y191-K194 PolarHBondContact O-N 3.05Å; Y191-L195 HydrophobicContact CD1-CD1 4.08Å; Y191-L195 HydrophobicContact CE1-CD1 3.49Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.49Å; Y191-L195 HydrophobicContact CE1-CG 4.25Å; Y191-L195 PolarHBondContact O-N 2.94Å; Y191-L195 VanDerWaalsContact O-N 3.12Å
192	L	98.8	Very high	98.4	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-42.3	178.6	-67.3	175.6	0	0	0	112	V163 F188 L189 K194 L195 D196 V201 V203 L239 L245	V163-L192 HydrophobicContact CB-CD2 4.34Å; V163-L192 HydrophobicContact CG1-CD2 4.24Å; V163-L192 HydrophobicContact CG2-CD2 4Å; F188-L192 HydrophobicContact CD1-CD1 3.99Å; F188-L192 HydrophobicContact CD2-CG 4.44Å; F188-L192 HydrophobicContact CE1-CD1 3.66Å; F188-L192 HydrophobicContact CE1-CG 4.4Å; F188-L192 HydrophobicContact CE2-CD1 4.33Å; F188-L192 HydrophobicContact CE2-CD2 4.16Å; F188-L192 HydrophobicContact CE2-CG 4.2Å; F188-L192 HydrophobicContact CG-CD1 4.46Å; F188-L192 HydrophobicContact CZ-CD1 3.84Å; F188-L192 HydrophobicContact CZ-CD2 4.12Å; F188-L192 HydrophobicContact CZ-CG 4.17Å; F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.32Å; F188-L192 PolarHBondContact O-N 2.83Å; L189-L192 PolarHBondContact O-N 2.72Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.87Å; L192-L195 PolarHBondContact O-N 2.84Å; L192-D196 PolarHBondContact O-N 2.81Å; L192-V201 HydrophobicContact CD2-CG1 4.03Å; L192-V203 HydrophobicContact CD1-CG2 3.97Å; L192-V203 HydrophobicContact CD2-CG2 3.62Å; L192-V203 HydrophobicContact CG-CG2 4.45Å; L192-L239 HydrophobicContact CD1-CD1 4.05Å; L192-L245 HydrophobicContact CD1-CD1 3.95Å
193	R	98.4	Very high	98.4	Very high	124 Å²	124	44.1 Å²	44.1	47%	0.468	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-40.4	174.7	-74.9	175.8	63.3	133.2	-2.5	112.4	L189 E190 D196 S197 S242 A243	L189-R193 HydrophobicContact CD1-CG 4.02Å; L189-R193 WeakPolarHBondContact O-CG 3.49Å; L189-R193 PolarHBondContact O-N 3.12Å; E190-R193 PolarHBondContact O-N 3.26Å; R193-D196 PolarHBondContact O-N 2.88Å; R193-S197 PolarHBondContact O-N 3.05Å; R193-S242 VanDerWaalsContact CD-O 3.31Å; R193-S242 WeakPolarHBondContact CD-O 3.1Å; R193-S242 PolarHBondContact NH1-O 2.9Å; R193-S242 VanDerWaalsContact NH1-O 3.08Å; R193-A243 HydrophobicContact CG-CB 4.23Å
194	K	98.3	Very high	98.5	Very high	147 Å²	147	40.3 Å²	40.3	64%	0.639	21%	0.206	S	C	*	.	H	α-helix	trans	-67.4	-35.3	177	-179.1	176.7	178.2	178.4	0	113	E190 Y191 L192 S197	E190-K194 WeakPolarHBondContact O-CB 3.46Å; E190-K194 PolarHBondContact O-N 2.87Å; Y191-K194 PolarHBondContact O-N 3.05Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.87Å; K194-S197 PolarHBondContact O-OG 2.91Å
195	L	98.5	Very high	98.5	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-48.1	171.8	-67.5	178.3	0	0	0	110.5	T154 Y161 V163 Y191 L192 S197 T198 K199 V201	T154-L195 HydrophobicContact CG2-CD1 3.81Å; T154-L195 HydrophobicContact CG2-CD2 4.34Å; Y161-L195 HydrophobicContact CD1-CD2 4.17Å; Y161-L195 HydrophobicContact CD2-CB 3.83Å; Y161-L195 HydrophobicContact CD2-CD2 4Å; Y161-L195 HydrophobicContact CD2-CG 4.39Å; Y161-L195 HydrophobicContact CE1-CD2 4.18Å; Y161-L195 HydrophobicContact CE2-CB 4.26Å; Y161-L195 HydrophobicContact CE2-CD2 4Å; Y161-L195 HydrophobicContact CG-CB 4.37Å; Y161-L195 HydrophobicContact CG-CD1 4.49Å; Y161-L195 HydrophobicContact CG-CD2 4.11Å; V163-L195 HydrophobicContact CG2-CD1 3.65Å; Y191-L195 HydrophobicContact CD1-CD1 4.08Å; Y191-L195 HydrophobicContact CE1-CD1 3.49Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.49Å; Y191-L195 HydrophobicContact CE1-CG 4.25Å; Y191-L195 PolarHBondContact O-N 2.94Å; Y191-L195 VanDerWaalsContact O-N 3.12Å; L192-L195 PolarHBondContact O-N 2.84Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 2.86Å; L195-T198 WeakPolarHBondContact O-CB 3.48Å; L195-T198 PolarHBondContact O-N 2.9Å; L195-K199 PolarHBondContact O-N 2.76Å; L195-K199 VanDerWaalsContact O-O 3.14Å; L195-V201 HydrophobicContact CB-CG2 3.56Å
196	D	98	Very high	98.5	Very high	27 Å²	27	39.2 Å²	39.2	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-24	-178.1	-161.8	63	0	0	0	113.4	L192 R193 T198 K199 V201 S284 R286	L192-D196 PolarHBondContact O-N 2.81Å; R193-D196 PolarHBondContact O-N 2.88Å; D196-T198 PolarHBondContact O-N 2.57Å; D196-K199 WeakPolarHBondContact CA-O 3.15Å; D196-V201 HydrophobicContact CB-CG2 3.93Å; D196-S284 WeakPolarHBondContact OD1-CB 3.48Å; D196-S284 PolarHBondContact OD1-OG 3.01Å; D196-R286 PolarHBondContact O-NH1 2.84Å; D196-R286 PolarHBondContact O-NH2 2.9Å; D196-R286 IonicContact OD1-CZ 3.39Å; D196-R286 IonicContact OD1-NE 3.48Å; D196-R286 PolarHBondContact OD1-NE 3Å; D196-R286 IonicContact OD1-NH2 3.83Å; D196-R286 PolarHBondContact OD1-NH2 3.28Å; D196-R286 IonicContact OD2-CZ 2.78Å; D196-R286 IonicContact OD2-NE 3.32Å; D196-R286 IonicContact OD2-NH2 3.09Å
197	S	97.7	Very high	98.5	Very high	95 Å²	95	37 Å²	37	66%	0.664	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.2	168.9	68	0	0	0	0	113.4	R193 K194 L195	R193-S197 PolarHBondContact O-N 3.05Å; K194-S197 PolarHBondContact O-OG 2.91Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 2.86Å
198	T	97.6	Very high	98.5	Very high	99 Å²	99	35.4 Å²	35.4	61%	0.607	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-48	-177.1	-50.3	0	0	0	0	112.8	L195 D196	L195-T198 WeakPolarHBondContact O-CB 3.48Å; L195-T198 PolarHBondContact O-N 2.9Å; D196-T198 PolarHBondContact O-N 2.57Å
199	K	97.5	Very high	98.5	Very high	33 Å²	33	35.3 Å²	35.3	14%	0.143	18%	0.177	C	C	.	.	S	Bend	trans	-157.8	146	-170.7	-178.3	-175.9	-71.5	177.1	0	109.6	E156 Y157 D158 Y161 L195 D196 R286	E156-K199 IonicContact OE1-NZ 3.53Å; E156-K199 PolarHBondContact OE1-NZ 2.98Å; Y157-K199 WeakPolarHBondContact O-CD 3.5Å; Y157-K199 PolarHBondContact O-NZ 2.92Å; D158-K199 WeakPolarHBondContact O-CE 3.49Å; D158-K199 PolarHBondContact O-NZ 3.4Å; Y161-K199 HydrophobicContact CD2-CB 3.86Å; Y161-K199 HydrophobicContact CD2-CD 4.45Å; Y161-K199 HydrophobicContact CD2-CG 4.44Å; Y161-K199 HydrophobicContact CE2-CB 3.63Å; Y161-K199 HydrophobicContact CE2-CD 4.39Å; Y161-K199 HydrophobicContact CE2-CG 4.49Å; L195-K199 PolarHBondContact O-N 2.76Å; L195-K199 VanDerWaalsContact O-O 3.14Å; D196-K199 WeakPolarHBondContact CA-O 3.15Å; K199-R286 PolarHBondContact O-NH2 2.9Å
200	P	98.4	Very high	98.5	Very high	22 Å²	22	34.5 Å²	34.5	14%	0.143	17%	0.173	C	C	.	.			trans	-50	145	-178.9	-28.4	32.4	0	0	0	113.4	K159 F160 Y161 R286 I287	K159-P200 WeakPolarHBondContact O-CD 3.22Å; F160-P200 CarbonylContact C-O 3.56Å; F160-P200 WeakPolarHBondContact CA-O 3.36Å; F160-P200 HydrophobicContact CB-CB 4.48Å; F160-P200 WeakPolarHBondContact CB-O 3.48Å; Y161-P200 PolarHBondContact N-O 3.44Å; P200-R286 HydrophobicContact CG-CG 4.4Å; P200-I287 HydrophobicContact CB-CB 4.39Å; P200-I287 HydrophobicContact CB-CD1 3.9Å; P200-I287 HydrophobicContact CB-CG1 4.09Å; P200-I287 HydrophobicContact CB-CG2 3.45Å; P200-I287 VanDerWaalsContact CB-CG2 3.45Å; P200-I287 HydrophobicContact CG-CG2 3.5Å
201	V	98.8	Very high	98.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.8	-178.7	-179.5	0	0	0	0	109.5	Y161 V163 L192 L195 D196 V203 V283 S284	Y161-V201 HydrophobicContact CD2-CG2 4.48Å; Y161-V201 WeakPolarHBondContact O-CA 3.36Å; V163-V201 HydrophobicContact CG2-CG1 3.96Å; L192-V201 HydrophobicContact CD2-CG1 4.03Å; L195-V201 HydrophobicContact CB-CG2 3.56Å; D196-V201 HydrophobicContact CB-CG2 3.93Å; V201-V203 HydrophobicContact CG1-CG2 3.75Å; V201-V283 WeakPolarHBondContact O-CA 3.5Å; V201-S284 PolarHBondContact N-OG 3.41Å; V201-S284 PolarHBondContact O-N 3.35Å; V201-S284 PolarHBondContact O-OG 3Å
202	I	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.8	162	-58.2	177.7	0	0	0	106	I62 F160 Y161 L162 V163 F281 L282 V283 I287 L310 L312	I62-I202 HydrophobicContact CD1-CD1 3.87Å; I62-I202 HydrophobicContact CD1-CG2 4.42Å; F160-I202 HydrophobicContact CB-CD1 4.48Å; F160-I202 HydrophobicContact CB-CG1 4.49Å; F160-I202 HydrophobicContact CD1-CD1 4.42Å; F160-I202 HydrophobicContact CD2-CD1 3.88Å; F160-I202 HydrophobicContact CD2-CG1 4.31Å; F160-I202 HydrophobicContact CE2-CD1 4.23Å; F160-I202 HydrophobicContact CG-CD1 4.01Å; F160-I202 HydrophobicContact CG-CG1 4.46Å; Y161-I202 PolarHBondContact O-N 3.29Å; L162-I202 CarbonylContact C-O 3.51Å; L162-I202 WeakPolarHBondContact CA-O 3.19Å; L162-I202 HydrophobicContact CD1-CB 3.96Å; L162-I202 HydrophobicContact CD1-CG2 3.73Å; V163-I202 PolarHBondContact N-O 2.88Å; I202-F281 HydrophobicContact CG2-CD1 3.89Å; I202-F281 HydrophobicContact CG2-CE1 4.31Å; I202-L282 CarbonylContact C-O 3.56Å; I202-L282 WeakPolarHBondContact CA-O 2.84Å; I202-V283 HydrophobicContact CG1-CG1 4.25Å; I202-V283 HydrophobicContact CG2-CG1 4.37Å; I202-I287 HydrophobicContact CD1-CD1 4.23Å; I202-I287 HydrophobicContact CG1-CD1 3.72Å; I202-L310 HydrophobicContact CD1-CD2 4.44Å; I202-L310 HydrophobicContact CG2-CD2 3.99Å; I202-L312 HydrophobicContact CD1-CD1 3.73Å
203	V	98.9	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.9	170.4	-168.1	0	0	0	0	108.1	V163 A165 F188 L192 V201 L207 L245 F281 L282	V163-V203 HydrophobicContact CB-CG1 4.42Å; V163-V203 HydrophobicContact CB-CG2 4.47Å; V163-V203 CarbonylContact O-C 3.6Å; V163-V203 WeakPolarHBondContact O-CA 3.21Å; A165-V203 HydrophobicContact CB-CG1 4.45Å; F188-V203 HydrophobicContact CE1-CG1 4.47Å; F188-V203 HydrophobicContact CZ-CG1 4.03Å; L192-V203 HydrophobicContact CD1-CG2 3.97Å; L192-V203 HydrophobicContact CD2-CG2 3.62Å; L192-V203 HydrophobicContact CG-CG2 4.45Å; V201-V203 HydrophobicContact CG1-CG2 3.75Å; V203-L207 HydrophobicContact CG1-CD2 4.49Å; V203-L245 HydrophobicContact CG2-CD1 4.18Å; V203-F281 CarbonylContact O-C 3.55Å; V203-F281 WeakPolarHBondContact O-CA 3.21Å; V203-L282 HydrophobicContact CB-CB 4.11Å; V203-L282 HydrophobicContact CG2-CB 4.47Å; V203-L282 PolarHBondContact N-O 2.85Å; V203-L282 PolarHBondContact O-N 2.89Å
204	C	98.9	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.7	174	72.5	0	0	0	0	112.4	C91 V163 T164 A165 Y280 F281	C91-C204 VanDerWaalsContact SG-SG 3.65Å; V163-C204 PolarHBondContact O-N 2.93Å; T164-C204 CarbonylContact C-O 3.44Å; T164-C204 WeakPolarHBondContact CA-O 3.35Å; A165-C204 PolarHBondContact N-O 3.39Å; C204-Y280 VanDerWaalsContact CA-O 3.32Å; C204-Y280 WeakPolarHBondContact CA-O 3.36Å; C204-F281 HydrophobicContact CB-CD1 3.51Å; C204-F281 HydrophobicContact CB-CE1 3.32Å; C204-F281 HydrophobicContact CB-CG 4.3Å; C204-F281 HydrophobicContact CB-CZ 3.96Å
205	G	98.8	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.1	-174	173.6	0	0	0	0	0	114.6	S64 Q93 A165 L207 D279 Y280	S64-G205 WeakPolarHBondContact OG-CA 3.41Å; S64-G205 PolarHBondContact OG-N 2.85Å; Q93-G205 VanDerWaalsContact CD-CA 3.49Å; A165-G205 WeakPolarHBondContact O-CA 3.09Å; G205-L207 PolarHBondContact O-N 2.93Å; G205-D279 WeakPolarHBondContact O-CA 3.45Å; G205-Y280 PolarHBondContact N-O 2.97Å; G205-Y280 PolarHBondContact O-N 2.63Å
206	D	98.8	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.2	176.7	172.8	16.3	0	0	0	109.9	N66 A165 Y166 V167 N208 L278 H305	N66-D206 HydrophobicContact CB-CB 4.06Å; N66-D206 PolarHBondContact ND2-OD2 3.23Å; A165-D206 PolarHBondContact O-N 3.03Å; Y166-D206 HydrophobicContact CD2-CB 4.19Å; Y166-D206 WeakPolarHBondContact CE2-OD2 3.31Å; V167-D206 PolarHBondContact N-O 2.8Å; D206-N208 VanDerWaalsContact C-N 3.27Å; D206-N208 VanDerWaalsContact OD1-CA 3.3Å; D206-N208 WeakPolarHBondContact OD1-CA 3.34Å; D206-N208 PolarHBondContact OD1-N 3.12Å; D206-N208 PolarHBondContact OD1-ND2 2.96Å; D206-N208 PolarHBondContact OD2-ND2 2.79Å; D206-L278 WeakPolarHBondContact CA-O 3.34Å; D206-H305 IonicContact OD2-CE1 3.17Å; D206-H305 IonicContact OD2-NE2 2.68Å
207	L	98.8	Very high	98.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	15%	0.145	C	C	.	.			trans	-90.2	5.1	178	-51.7	-173	0	0	0	111.9	A165 V167 R180 V203 G205 V209 F236 L278 Y280 L282	A165-L207 HydrophobicContact CB-CD2 4.1Å; V167-L207 HydrophobicContact CG2-CB 4.14Å; V167-L207 HydrophobicContact CG2-CD2 3.68Å; R180-L207 PolarHBondContact NH2-O 2.89Å; V203-L207 HydrophobicContact CG1-CD2 4.49Å; G205-L207 PolarHBondContact O-N 2.93Å; L207-V209 HydrophobicContact CB-CG1 4.38Å; L207-V209 PolarHBondContact O-N 3.1Å; L207-V209 VanDerWaalsContact O-N 3.12Å; L207-F236 HydrophobicContact CB-CE2 4.44Å; L207-F236 HydrophobicContact CD1-CE2 3.72Å; L207-F236 HydrophobicContact CD1-CZ 4.45Å; L207-L278 PolarHBondContact N-O 2.81Å; L207-Y280 HydrophobicContact CB-CD2 3.84Å; L207-Y280 HydrophobicContact CB-CE2 4.26Å; L207-Y280 HydrophobicContact CD1-CD2 3.86Å; L207-Y280 HydrophobicContact CD1-CG 3.92Å; L207-Y280 HydrophobicContact CG-CD2 3.87Å; L207-Y280 HydrophobicContact CG-CG 4.37Å; L207-L282 HydrophobicContact CD1-CD1 3.66Å; L207-L282 HydrophobicContact CD1-CG 4.04Å
208	N	98.7	Very high	98.2	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	51.1	35.7	174.2	-94.3	-82.7	0	0	0	113.5	Y166 V167 N169 R180 D206 G227	Y166-N208 WeakPolarHBondContact CE2-ND2 3.45Å; V167-N208 PolarHBondContact O-ND2 3.3Å; V167-N208 VanDerWaalsContact O-ND2 3.1Å; N169-N208 HydrophobicContact CB-CB 4.47Å; N169-N208 VanDerWaalsContact CB-OD1 3.32Å; N169-N208 WeakPolarHBondContact CB-OD1 3.48Å; N169-N208 PolarHBondContact ND2-OD1 3.5Å; R180-N208 PolarHBondContact NH1-O 2.88Å; D206-N208 VanDerWaalsContact C-N 3.27Å; D206-N208 VanDerWaalsContact OD1-CA 3.3Å; D206-N208 WeakPolarHBondContact OD1-CA 3.34Å; D206-N208 PolarHBondContact OD1-N 3.12Å; D206-N208 PolarHBondContact OD1-ND2 2.96Å; D206-N208 PolarHBondContact OD2-ND2 2.79Å; N208-G227 VanDerWaalsContact O-CA 3.29Å; N208-G227 WeakPolarHBondContact O-CA 3.4Å
209	V	98.7	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.			trans	-146	133.7	176.6	60.1	0	0	0	0	109.6	L207 G227 E232 R233 F236 Y280	L207-V209 HydrophobicContact CB-CG1 4.38Å; L207-V209 PolarHBondContact O-N 3.1Å; L207-V209 VanDerWaalsContact O-N 3.12Å; V209-G227 CarbonylContact C-O 3.57Å; V209-G227 WeakPolarHBondContact CA-O 3.41Å; V209-E232 HydrophobicContact CG2-CB 4.06Å; V209-R233 HydrophobicContact CG2-CG 4.41Å; V209-F236 HydrophobicContact CG1-CB 4Å; V209-F236 HydrophobicContact CG1-CD1 4.39Å; V209-F236 HydrophobicContact CG1-CD2 3.55Å; V209-F236 HydrophobicContact CG1-CE2 4.03Å; V209-F236 HydrophobicContact CG1-CG 3.72Å; V209-F236 HydrophobicContact CG2-CB 4.3Å; V209-Y280 HydrophobicContact CG1-CE2 4.38Å; V209-Y280 WeakPolarHBondContact O-CE2 3.49Å; V209-Y280 VanDerWaalsContact O-CZ 3.32Å; V209-Y280 PolarHBondContact O-OH 3.05Å
210	A	98.7	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.			trans	-92.5	114.6	160.5	0	0	0	0	0	106.4	D215 L216 G227 F228 W276 R277 L278	A210-D215 HydrophobicContact CB-CB 3.8Å; A210-L216 HydrophobicContact CB-CB 4.31Å; A210-G227 PolarHBondContact N-O 2.65Å; A210-F228 HydrophobicContact CB-CD2 3.87Å; A210-F228 HydrophobicContact CB-CE2 4.39Å; A210-F228 VanDerWaalsContact O-CD2 3.26Å; A210-F228 WeakPolarHBondContact O-CD2 3.38Å; A210-W276 HydrophobicContact CB-CE3 4.48Å; A210-R277 WeakPolarHBondContact CA-O 3.26Å; A210-L278 HydrophobicContact CB-CD2 4.3Å
211	H	98.5	Very high	97.8	Very high	23 Å²	23	32.3 Å²	32.3	11%	0.106	16%	0.16	C	C	.	.			trans	-70	-53.1	-165.8	179.5	-163	0	0	0	112.2	D215 R233 F236 T237 Y280	H211-D215 PolarHBondContact N-OD2 3.03Å; H211-R233 WeakPolarHBondContact O-CG 3.39Å; H211-R233 PolarHBondContact O-NE 3.47Å; H211-F236 HydrophobicContact CB-CD1 3.63Å; H211-F236 HydrophobicContact CB-CE1 3.66Å; H211-F236 AromaticContact CD2-CD1 3.65Å; H211-F236 AromaticContact CG-CD1 3.36Å; H211-F236 AromaticContact CG-CE1 3.61Å; H211-F236 AromaticContact ND1-CD1 3.63Å; H211-F236 AromaticContact ND1-CE1 3.57Å; H211-T237 PolarHBondContact NE2-OG1 3.03Å; H211-Y280 PolarHBondContact N-OH 3.47Å
212	E	97.9	Very high	97.6	Very high	76 Å²	76	33.4 Å²	33.4	36%	0.355	17%	0.166	S	C	.	.	S	Bend	trans	-118.2	167.2	-179.2	-63.6	-58.5	169.4	0	0	112.5	I214 D215 R233	E212-I214 HydrophobicContact CB-CG2 4.07Å; E212-I214 PolarHBondContact O-N 2.84Å; E212-D215 PolarHBondContact N-OD2 2.72Å; E212-D215 WeakPolarHBondContact O-CA 3.4Å; E212-D215 VanDerWaalsContact O-CB 3.23Å; E212-D215 WeakPolarHBondContact O-CB 3.42Å; E212-D215 PolarHBondContact O-N 2.84Å; E212-R233 IonicContact OE2-CZ 2.76Å; E212-R233 IonicContact OE2-NH2 3.38Å; E212-R233 PolarHBondContact OE2-NH2 3.04Å
213	E	97.9	Very high	97.2	Very high	108 Å²	108	36.2 Å²	36.2	51%	0.505	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29	-178.5	-67.3	-174.9	174.6	0	0	113.4	D215 L216 P219 F228	E213-D215 PolarHBondContact O-N 2.76Å; E213-L216 PolarHBondContact O-N 2.74Å; E213-L216 VanDerWaalsContact O-O 3.09Å; E213-P219 HydrophobicContact CB-CB 3.93Å; E213-P219 HydrophobicContact CB-CG 3.94Å; E213-P219 HydrophobicContact CG-CB 3.87Å; E213-P219 HydrophobicContact CG-CG 4.24Å; E213-F228 HydrophobicContact CG-CZ 4.13Å
214	I	97.6	Very high	96.8	Very high	29 Å²	29	45 Å²	45	15%	0.149	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.4	174.7	-170.1	162.3	0	0	0	113.8	E212 L216 R257	E212-I214 HydrophobicContact CB-CG2 4.07Å; E212-I214 PolarHBondContact O-N 2.84Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-R257 HydrophobicContact CD1-CG 3.68Å; I214-R257 HydrophobicContact CG1-CG 3.94Å
215	D	98.3	Very high	96.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-86.7	0.7	-179.2	-62.8	-33.5	0	0	0	113.3	A210 H211 E212 E213 R250 Y260 W276 R277	A210-D215 HydrophobicContact CB-CB 3.8Å; H211-D215 PolarHBondContact N-OD2 3.03Å; E212-D215 PolarHBondContact N-OD2 2.72Å; E212-D215 WeakPolarHBondContact O-CA 3.4Å; E212-D215 VanDerWaalsContact O-CB 3.23Å; E212-D215 WeakPolarHBondContact O-CB 3.42Å; E212-D215 PolarHBondContact O-N 2.84Å; E213-D215 PolarHBondContact O-N 2.76Å; D215-R250 IonicContact OD1-CZ 3.4Å; D215-R250 VanDerWaalsContact OD1-CZ 3.26Å; D215-R250 IonicContact OD1-NE 3.98Å; D215-R250 PolarHBondContact OD1-NE 2.86Å; D215-R250 IonicContact OD1-NH2 2.67Å; D215-R250 PolarHBondContact OD1-NH2 3.21Å; D215-Y260 WeakPolarHBondContact O-CD1 3.37Å; D215-W276 CarbonylContact O-C 3.57Å; D215-W276 WeakPolarHBondContact O-CA 3.44Å; D215-R277 HydrophobicContact CB-CB 4.03Å; D215-R277 VanDerWaalsContact CG-NE 3.3Å; D215-R277 PolarHBondContact O-N 3.22Å; D215-R277 IonicContact OD1-CZ 3.21Å; D215-R277 VanDerWaalsContact OD1-CZ 3.32Å; D215-R277 IonicContact OD1-NE 2.65Å; D215-R277 PolarHBondContact OD1-NE 3.35Å; D215-R277 IonicContact OD1-NH2 3.58Å; D215-R277 PolarHBondContact OD1-NH2 3.44Å; D215-R277 VanDerWaalsContact OD1-NH2 3.09Å; D215-R277 IonicContact OD2-CZ 3.77Å; D215-R277 IonicContact OD2-NE 2.76Å; D215-R277 IonicContact OD2-NH2 3.4Å; D215-R277 PolarHBondContact OD2-NH2 3.44Å
216	L	97.9	Very high	96.6	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-135.6	141.9	-179.3	-177.6	48.2	0	0	0	111.1	A210 E213 I214 R218 N222 F228 Y260 G275 W276	A210-L216 HydrophobicContact CB-CB 4.31Å; E213-L216 PolarHBondContact O-N 2.74Å; E213-L216 VanDerWaalsContact O-O 3.09Å; I214-L216 VanDerWaalsContact C-N 3.31Å; L216-R218 VanDerWaalsContact C-N 3.33Å; L216-R218 PolarHBondContact O-N 3.15Å; L216-N222 HydrophobicContact CD2-CB 3.6Å; L216-F228 HydrophobicContact CB-CD2 4.34Å; L216-F228 HydrophobicContact CB-CE2 4.24Å; L216-F228 HydrophobicContact CD2-CB 3.77Å; L216-F228 HydrophobicContact CD2-CD1 3.68Å; L216-F228 HydrophobicContact CD2-CD2 3.67Å; L216-F228 HydrophobicContact CD2-CE1 4.16Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; L216-F228 HydrophobicContact CD2-CG 3.41Å; L216-F228 VanDerWaalsContact CD2-CG 3.41Å; L216-F228 HydrophobicContact CD2-CZ 4.38Å; L216-Y260 PolarHBondContact O-OH 3.07Å; L216-G275 WeakPolarHBondContact CD1-O 3.23Å; L216-W276 HydrophobicContact CD1-CB 4.27Å; L216-W276 HydrophobicContact CD1-CD2 3.3Å; L216-W276 HydrophobicContact CD1-CE3 3.78Å; L216-W276 HydrophobicContact CD1-CG 3.55Å; L216-W276 HydrophobicContact CD1-CH2 4.23Å; L216-W276 HydrophobicContact CD1-CZ2 3.83Å; L216-W276 HydrophobicContact CD1-CZ3 4.24Å; L216-W276 HydrophobicContact CD2-CD2 4.41Å; L216-W276 HydrophobicContact CD2-CE3 4.08Å; L216-W276 HydrophobicContact CD2-CH2 3.96Å; L216-W276 HydrophobicContact CD2-CZ2 4.31Å; L216-W276 HydrophobicContact CD2-CZ3 3.88Å; L216-W276 HydrophobicContact CG-CD2 4.48Å
217	A	96.8	Very high	96.6	Very high	34 Å²	34	48.6 Å²	48.6	28%	0.281	24%	0.241	S	C	.	.	S	Bend	trans	-73.2	-18	179.4	0	0	0	0	0	115.2	Y260 G275	A217-Y260 VanDerWaalsContact CA-OH 3.3Å; A217-Y260 WeakPolarHBondContact CA-OH 3.38Å; A217-Y260 HydrophobicContact CB-CE2 3.89Å; A217-Y260 PolarHBondContact N-OH 3.47Å; A217-G275 PolarHBondContact N-O 3.06Å
218	R	95.5	Very high	96.6	Very high	131 Å²	131	48.5 Å²	48.5	49%	0.494	24%	0.241	S	C	.	.			trans	-148.5	59.9	-176.4	-61.2	-174.8	-174.8	-154.9	-3	112.2	L216 E220 T221 N222 N274	L216-R218 VanDerWaalsContact C-N 3.33Å; L216-R218 PolarHBondContact O-N 3.15Å; R218-E220 VanDerWaalsContact C-N 3.3Å; R218-E220 VanDerWaalsContact C-OE2 3.31Å; R218-E220 PolarHBondContact O-N 3.03Å; R218-T221 PolarHBondContact O-N 3.31Å; R218-T221 PolarHBondContact O-OG1 3.15Å; R218-N222 PolarHBondContact O-ND2 3.38Å; R218-N274 WeakPolarHBondContact CD-OD1 3.5Å; R218-N274 PolarHBondContact NE-OD1 3.47Å
219	P	96.7	Very high	96.5	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.065	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.3	-40.8	-171.3	23.8	-33.8	0	0	0	113.3	E213 T221 N222 H223 F228	E213-P219 HydrophobicContact CB-CB 3.93Å; E213-P219 HydrophobicContact CB-CG 3.94Å; E213-P219 HydrophobicContact CG-CB 3.87Å; E213-P219 HydrophobicContact CG-CG 4.24Å; P219-T221 PolarHBondContact O-N 2.98Å; P219-N222 PolarHBondContact O-N 3.48Å; P219-H223 PolarHBondContact O-CD2 3.02Å; P219-H223 VanDerWaalsContact O-CD2 3.23Å; P219-F228 HydrophobicContact CB-CE1 3.55Å; P219-F228 HydrophobicContact CB-CZ 3.57Å
220	E	94.8	Very high	96.4	Very high	146 Å²	146	52.1 Å²	52.1	68%	0.682	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.1	-171.8	-45.9	82	174.9	0	0	113	R218	R218-E220 VanDerWaalsContact C-N 3.3Å; R218-E220 VanDerWaalsContact C-OE2 3.31Å; R218-E220 PolarHBondContact O-N 3.03Å
221	T	93.4	Very high	96.3	Very high	105 Å²	105	55.8 Å²	55.8	64%	0.644	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-100	-1.4	-178.2	57.2	0	0	0	0	114.1	R218 P219	R218-T221 PolarHBondContact O-N 3.31Å; R218-T221 PolarHBondContact O-OG1 3.15Å; P219-T221 PolarHBondContact O-N 2.98Å
222	N	94.6	Very high	96.3	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.134	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	1.7	-165.5	-82.2	-68.6	0	0	0	116.4	L216 R218 P219 K224 T225 F228 W276	L216-N222 HydrophobicContact CD2-CB 3.6Å; R218-N222 PolarHBondContact O-ND2 3.38Å; P219-N222 PolarHBondContact O-N 3.48Å; N222-K224 PolarHBondContact O-N 3.49Å; N222-T225 WeakPolarHBondContact O-CB 3.36Å; N222-T225 PolarHBondContact O-N 3.37Å; N222-T225 WeakPolarHBondContact OD1-CB 3.48Å; N222-T225 PolarHBondContact OD1-OG1 3.4Å; N222-F228 HydrophobicContact CB-CB 4.36Å; N222-F228 HydrophobicContact CB-CD1 4.1Å; N222-W276 HydrophobicContact CB-CH2 3.94Å; N222-W276 HydrophobicContact CB-CZ2 4.47Å; N222-W276 WeakPolarHBondContact OD1-CH2 3.48Å; N222-W276 WeakPolarHBondContact OD1-CZ2 3.35Å
223	H	91.6	Very high	96.3	Very high	58 Å²	58	53.1 Å²	53.1	27%	0.269	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-8.4	175.2	-69.5	-99.4	0	0	0	115.3	P219 F228 D230	P219-H223 PolarHBondContact O-CD2 3.02Å; P219-H223 VanDerWaalsContact O-CD2 3.23Å; H223-F228 WeakPolarHBondContact CA-O 3.4Å; H223-F228 AromaticContact CE1-CE1 3.96Å; H223-F228 AromaticContact NE2-CE1 3.79Å; H223-D230 IonicContact CE1-OD1 3.33Å; H223-D230 IonicContact CG-OD1 2.77Å; H223-D230 IonicContact ND1-OD1 3.74Å; H223-D230 PolarHBondContact ND1-OD1 2.88Å
224	K	91.2	Very high	96.3	Very high	186 Å²	186	51.3 Å²	51.3	81%	0.809	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	10.4	176.2	-60.9	-179.3	-177.6	175.8	0	113.1	N222	N222-K224 PolarHBondContact O-N 3.49Å
225	T	95.9	Very high	96.4	Very high	55 Å²	55	51 Å²	51	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-103.4	135.7	178.2	-55.1	0	0	0	0	109.1	N222 G227 F228 T229 W276	N222-T225 WeakPolarHBondContact O-CB 3.36Å; N222-T225 PolarHBondContact O-N 3.37Å; N222-T225 WeakPolarHBondContact OD1-CB 3.48Å; N222-T225 PolarHBondContact OD1-OG1 3.4Å; T225-G227 PolarHBondContact O-N 2.67Å; T225-F228 PolarHBondContact O-N 3.22Å; T225-T229 PolarHBondContact O-N 2.66Å; T225-W276 HydrophobicContact CG2-CH2 3.52Å; T225-W276 HydrophobicContact CG2-CZ2 4.12Å; T225-W276 HydrophobicContact CG2-CZ3 4.38Å
226	A	97.4	Very high	96.4	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	128	174.5	0	0	0	0	0	110.4	L174	L174-A226 HydrophobicContact CD2-CB 4.02Å
227	G	97.8	Very high	96.4	Very high	1 Å²	1	54 Å²	54	1%	0.01	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	-6.7	-172.2	0	0	0	0	0	115.2	N208 V209 A210 T225 E232	N208-G227 VanDerWaalsContact O-CA 3.29Å; N208-G227 WeakPolarHBondContact O-CA 3.4Å; V209-G227 CarbonylContact C-O 3.57Å; V209-G227 WeakPolarHBondContact CA-O 3.41Å; A210-G227 PolarHBondContact N-O 2.65Å; T225-G227 PolarHBondContact O-N 2.67Å; G227-E232 VanDerWaalsContact N-CD 3.26Å; G227-E232 PolarHBondContact N-OE1 3.33Å; G227-E232 PolarHBondContact N-OE2 2.86Å
228	F	98.2	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-145.2	20.5	174	-159.8	-109	0	0	0	113.4	A210 E213 L216 P219 N222 H223 T225 E232 R233 W276	A210-F228 HydrophobicContact CB-CD2 3.87Å; A210-F228 HydrophobicContact CB-CE2 4.39Å; A210-F228 VanDerWaalsContact O-CD2 3.26Å; A210-F228 WeakPolarHBondContact O-CD2 3.38Å; E213-F228 HydrophobicContact CG-CZ 4.13Å; L216-F228 HydrophobicContact CB-CD2 4.34Å; L216-F228 HydrophobicContact CB-CE2 4.24Å; L216-F228 HydrophobicContact CD2-CB 3.77Å; L216-F228 HydrophobicContact CD2-CD1 3.68Å; L216-F228 HydrophobicContact CD2-CD2 3.67Å; L216-F228 HydrophobicContact CD2-CE1 4.16Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; L216-F228 HydrophobicContact CD2-CG 3.41Å; L216-F228 VanDerWaalsContact CD2-CG 3.41Å; L216-F228 HydrophobicContact CD2-CZ 4.38Å; P219-F228 HydrophobicContact CB-CE1 3.55Å; P219-F228 HydrophobicContact CB-CZ 3.57Å; N222-F228 HydrophobicContact CB-CB 4.36Å; N222-F228 HydrophobicContact CB-CD1 4.1Å; H223-F228 WeakPolarHBondContact CA-O 3.4Å; H223-F228 AromaticContact CE1-CE1 3.96Å; H223-F228 AromaticContact NE2-CE1 3.79Å; T225-F228 PolarHBondContact O-N 3.22Å; F228-E232 PolarHBondContact N-OE2 2.86Å; F228-R233 HydrophobicContact CD2-CG 4.47Å; F228-W276 HydrophobicContact CB-CH2 4.31Å; F228-W276 HydrophobicContact CB-CZ3 3.7Å
229	T	97.5	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.			trans	-70.2	151.4	172.7	63.4	0	0	0	0	111.5	L174 L177 T225 Q231 E232 R233	L174-T229 HydrophobicContact CD1-CG2 3.81Å; L174-T229 HydrophobicContact CD2-CG2 3.64Å; L174-T229 HydrophobicContact CG-CG2 4.39Å; L177-T229 HydrophobicContact CD2-CG2 4.36Å; T225-T229 PolarHBondContact O-N 2.66Å; T229-Q231 PolarHBondContact O-N 2.87Å; T229-E232 WeakPolarHBondContact CB-OE2 3.16Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.38Å; T229-E232 PolarHBondContact N-OE2 3.1Å; T229-E232 VanDerWaalsContact N-OE2 3.1Å; T229-E232 PolarHBondContact O-N 3.31Å; T229-E232 WeakPolarHBondContact OG1-CB 3.49Å; T229-E232 VanDerWaalsContact OG1-CD 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.42Å; T229-E232 PolarHBondContact OG1-N 3.29Å; T229-E232 PolarHBondContact OG1-OE2 3.05Å; T229-R233 WeakPolarHBondContact O-CG 3.4Å; T229-R233 PolarHBondContact O-N 3.42Å
230	D	96.2	Very high	96.7	Very high	84 Å²	84	53.1 Å²	53.1	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-30	179.5	-56.1	-33.7	0	0	0	111.6	H223 R233 S234	H223-D230 IonicContact CE1-OD1 3.33Å; H223-D230 IonicContact CG-OD1 2.77Å; H223-D230 IonicContact ND1-OD1 3.74Å; H223-D230 PolarHBondContact ND1-OD1 2.88Å; D230-R233 IonicContact OD1-NH1 3.76Å; D230-S234 VanDerWaalsContact O-CB 3.25Å; D230-S234 WeakPolarHBondContact O-CB 3.28Å; D230-S234 PolarHBondContact O-N 3.21Å; D230-S234 PolarHBondContact O-OG 2.89Å
231	Q	97.3	Very high	96.9	Very high	77 Å²	77	50.1 Å²	50.1	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-46	171.5	-67.9	85.2	-8.7	0	0	112.4	L177 E181 T229 S234 G235	L177-Q231 HydrophobicContact CD1-CB 4.01Å; L177-Q231 HydrophobicContact CD2-CB 4.3Å; L177-Q231 HydrophobicContact CD2-CG 4.34Å; L177-Q231 HydrophobicContact CG-CB 4.46Å; E181-Q231 WeakPolarHBondContact OE1-CG 3.37Å; T229-Q231 PolarHBondContact O-N 2.87Å; Q231-S234 PolarHBondContact O-OG 3.3Å; Q231-G235 PolarHBondContact O-N 2.77Å
232	E	98.5	Very high	97.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-43.1	178.6	-71.1	166.8	124.2	0	0	111.2	S170 L177 R180 V209 G227 F228 T229 G235 F236	S170-E232 WeakPolarHBondContact CB-OE1 3.36Å; S170-E232 PolarHBondContact OG-OE1 3.16Å; L177-E232 HydrophobicContact CD1-CG 3.78Å; R180-E232 IonicContact CZ-OE1 3.04Å; R180-E232 IonicContact NH1-OE1 2.77Å; R180-E232 PolarHBondContact NH1-OE1 2.94Å; V209-E232 HydrophobicContact CG2-CB 4.06Å; G227-E232 VanDerWaalsContact N-CD 3.26Å; G227-E232 PolarHBondContact N-OE1 3.33Å; G227-E232 PolarHBondContact N-OE2 2.86Å; F228-E232 PolarHBondContact N-OE2 2.86Å; T229-E232 WeakPolarHBondContact CB-OE2 3.16Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.38Å; T229-E232 PolarHBondContact N-OE2 3.1Å; T229-E232 VanDerWaalsContact N-OE2 3.1Å; T229-E232 PolarHBondContact O-N 3.31Å; T229-E232 WeakPolarHBondContact OG1-CB 3.49Å; T229-E232 VanDerWaalsContact OG1-CD 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.42Å; T229-E232 PolarHBondContact OG1-N 3.29Å; T229-E232 PolarHBondContact OG1-OE2 3.05Å; E232-G235 PolarHBondContact O-N 2.99Å; E232-F236 WeakPolarHBondContact O-CB 3.27Å; E232-F236 PolarHBondContact O-N 3.04Å
233	R	98.1	Very high	97.2	Very high	42 Å²	42	46.1 Å²	46.1	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-46.7	177.2	-68.1	177.1	60.4	-143.7	-0.4	112	V209 H211 E212 F228 T229 D230 F236 T237	V209-R233 HydrophobicContact CG2-CG 4.41Å; H211-R233 WeakPolarHBondContact O-CG 3.39Å; H211-R233 PolarHBondContact O-NE 3.47Å; E212-R233 IonicContact OE2-CZ 2.76Å; E212-R233 IonicContact OE2-NH2 3.38Å; E212-R233 PolarHBondContact OE2-NH2 3.04Å; F228-R233 HydrophobicContact CD2-CG 4.47Å; T229-R233 WeakPolarHBondContact O-CG 3.4Å; T229-R233 PolarHBondContact O-N 3.42Å; D230-R233 IonicContact OD1-NH1 3.76Å; R233-F236 PolarHBondContact O-N 2.84Å; R233-T237 PolarHBondContact O-N 2.83Å; R233-T237 PolarHBondContact O-OG1 2.74Å; R233-T237 VanDerWaalsContact O-OG1 3.08Å
234	S	97.8	Very high	97.5	Very high	70 Å²	70	47 Å²	47	49%	0.49	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-35.9	177.3	57.9	0	0	0	0	113	D230 Q231 F236 T237 K238	D230-S234 VanDerWaalsContact O-CB 3.25Å; D230-S234 WeakPolarHBondContact O-CB 3.28Å; D230-S234 PolarHBondContact O-N 3.21Å; D230-S234 PolarHBondContact O-OG 2.89Å; Q231-S234 PolarHBondContact O-OG 3.3Å; S234-F236 VanDerWaalsContact C-N 3.34Å; S234-T237 PolarHBondContact O-N 2.73Å; S234-K238 WeakPolarHBondContact O-CB 3.44Å; S234-K238 PolarHBondContact O-N 2.9Å
235	G	98.3	Very high	97.9	Very high	21 Å²	21	38.5 Å²	38.5	22%	0.216	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-43	170.6	0	0	0	0	0	112.2	Q231 E232 K238 L239	Q231-G235 PolarHBondContact O-N 2.77Å; E232-G235 PolarHBondContact O-N 2.99Å; G235-K238 WeakPolarHBondContact O-CB 3.39Å; G235-K238 PolarHBondContact O-N 2.79Å; G235-L239 PolarHBondContact O-N 2.81Å
236	F	98.7	Very high	98	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-43	175.6	-170.3	-103.4	0	0	0	113.2	L207 V209 H211 E232 R233 S234 K238 L239 L240 Y280 L282	L207-F236 HydrophobicContact CB-CE2 4.44Å; L207-F236 HydrophobicContact CD1-CE2 3.72Å; L207-F236 HydrophobicContact CD1-CZ 4.45Å; V209-F236 HydrophobicContact CG1-CB 4Å; V209-F236 HydrophobicContact CG1-CD1 4.39Å; V209-F236 HydrophobicContact CG1-CD2 3.55Å; V209-F236 HydrophobicContact CG1-CE2 4.03Å; V209-F236 HydrophobicContact CG1-CG 3.72Å; V209-F236 HydrophobicContact CG2-CB 4.3Å; H211-F236 HydrophobicContact CB-CD1 3.63Å; H211-F236 HydrophobicContact CB-CE1 3.66Å; H211-F236 AromaticContact CD2-CD1 3.65Å; H211-F236 AromaticContact CG-CD1 3.36Å; H211-F236 AromaticContact CG-CE1 3.61Å; H211-F236 AromaticContact ND1-CD1 3.63Å; H211-F236 AromaticContact ND1-CE1 3.57Å; E232-F236 WeakPolarHBondContact O-CB 3.27Å; E232-F236 PolarHBondContact O-N 3.04Å; R233-F236 PolarHBondContact O-N 2.84Å; S234-F236 VanDerWaalsContact C-N 3.34Å; F236-K238 PolarHBondContact O-N 3.1Å; F236-L239 HydrophobicContact CD2-CD2 4.19Å; F236-L239 HydrophobicContact CE2-CD2 4.42Å; F236-L239 VanDerWaalsContact O-CB 3.3Å; F236-L239 WeakPolarHBondContact O-CB 3.43Å; F236-L239 PolarHBondContact O-N 3.05Å; F236-L240 HydrophobicContact CD1-CD1 4Å; F236-L240 HydrophobicContact CD1-CG 4.32Å; F236-L240 HydrophobicContact CE1-CD1 3.69Å; F236-L240 HydrophobicContact CE1-CD2 4.32Å; F236-L240 HydrophobicContact CE1-CG 4.1Å; F236-L240 HydrophobicContact CZ-CD1 4.38Å; F236-L240 HydrophobicContact CZ-CD2 4.2Å; F236-L240 HydrophobicContact CZ-CG 4.41Å; F236-L240 WeakPolarHBondContact O-CG 3.39Å; F236-L240 PolarHBondContact O-N 2.82Å; F236-Y280 HydrophobicContact CE1-CD1 4.45Å; F236-Y280 AromaticContact CE1-CE1 3.88Å; F236-Y280 HydrophobicContact CE1-CE1 3.88Å; F236-Y280 HydrophobicContact CE2-CE1 4.5Å; F236-Y280 AromaticContact CZ-CD1 3.71Å; F236-Y280 HydrophobicContact CZ-CD1 3.71Å; F236-Y280 HydrophobicContact CZ-CD2 4.5Å; F236-Y280 AromaticContact CZ-CE1 3.52Å; F236-Y280 HydrophobicContact CZ-CE1 3.52Å; F236-Y280 HydrophobicContact CZ-CE2 4.37Å; F236-Y280 HydrophobicContact CZ-CG 4.22Å; F236-Y280 AromaticContact CZ-CZ 3.9Å; F236-L282 HydrophobicContact CE2-CD1 4.06Å; F236-L282 HydrophobicContact CZ-CD1 4.32Å; F236-L282 HydrophobicContact CZ-CD2 3.99Å
237	T	98.6	Very high	98.1	Very high	63 Å²	63	37.6 Å²	37.6	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-56	-41	170.8	-61	0	0	0	0	111.4	H211 R233 S234 S241	H211-T237 PolarHBondContact NE2-OG1 3.03Å; R233-T237 PolarHBondContact O-N 2.83Å; R233-T237 PolarHBondContact O-OG1 2.74Å; R233-T237 VanDerWaalsContact O-OG1 3.08Å; S234-T237 PolarHBondContact O-N 2.73Å; T237-S241 WeakPolarHBondContact O-CB 3.43Å; T237-S241 PolarHBondContact O-N 3.24Å; T237-S241 VanDerWaalsContact O-N 3.13Å; T237-S241 PolarHBondContact O-OG 2.78Å
238	K	98.5	Very high	98.1	Very high	117 Å²	117	37.5 Å²	37.5	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-66.6	-40	175.1	-176	-178.4	176.6	-174.5	0	111.8	L189 S234 G235 F236 S241 S242	L189-K238 HydrophobicContact CD2-CG 4.41Å; S234-K238 WeakPolarHBondContact O-CB 3.44Å; S234-K238 PolarHBondContact O-N 2.9Å; G235-K238 WeakPolarHBondContact O-CB 3.39Å; G235-K238 PolarHBondContact O-N 2.79Å; F236-K238 PolarHBondContact O-N 3.1Å; K238-S241 PolarHBondContact O-OG 2.84Å; K238-S242 WeakPolarHBondContact O-CA 3.49Å; K238-S242 WeakPolarHBondContact O-CB 3.47Å; K238-S242 PolarHBondContact O-N 2.93Å; K238-S242 PolarHBondContact O-OG 2.95Å
239	L	98.7	Very high	98.1	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-54.3	175.8	-173.6	71.5	0	0	0	111	F188 L189 L192 G235 F236 A243 L282	F188-L239 HydrophobicContact CD1-CD1 4.37Å; L189-L239 HydrophobicContact CB-CD1 3.77Å; L189-L239 HydrophobicContact CD1-CD1 4.17Å; L192-L239 HydrophobicContact CD1-CD1 4.05Å; G235-L239 PolarHBondContact O-N 2.81Å; F236-L239 HydrophobicContact CD2-CD2 4.19Å; F236-L239 HydrophobicContact CE2-CD2 4.42Å; F236-L239 VanDerWaalsContact O-CB 3.3Å; F236-L239 WeakPolarHBondContact O-CB 3.43Å; F236-L239 PolarHBondContact O-N 3.05Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.46Å; L239-A243 PolarHBondContact O-N 2.79Å; L239-L282 HydrophobicContact CD2-CD1 4.27Å
240	L	98.6	Very high	98.1	Very high	24 Å²	24	39.4 Å²	39.4	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-56	-179.9	-63.8	177.3	0	0	0	111.5	F236 S242 N244 L245 L282	F236-L240 HydrophobicContact CD1-CD1 4Å; F236-L240 HydrophobicContact CD1-CG 4.32Å; F236-L240 HydrophobicContact CE1-CD1 3.69Å; F236-L240 HydrophobicContact CE1-CD2 4.32Å; F236-L240 HydrophobicContact CE1-CG 4.1Å; F236-L240 HydrophobicContact CZ-CD1 4.38Å; F236-L240 HydrophobicContact CZ-CD2 4.2Å; F236-L240 HydrophobicContact CZ-CG 4.41Å; F236-L240 WeakPolarHBondContact O-CG 3.39Å; F236-L240 PolarHBondContact O-N 2.82Å; L240-S242 PolarHBondContact O-N 3.34Å; L240-N244 WeakPolarHBondContact O-CA 3.37Å; L240-N244 PolarHBondContact O-N 2.94Å; L240-N244 VanDerWaalsContact O-N 3.09Å; L240-L245 HydrophobicContact CD2-CB 4.27Å; L240-L245 PolarHBondContact O-N 3.08Å; L240-L282 HydrophobicContact CD2-CD1 3.92Å; L240-L282 HydrophobicContact CD2-CD2 3.75Å; L240-L282 HydrophobicContact CD2-CG 4.36Å
241	S	97.9	Very high	98.2	Very high	83 Å²	83	39.9 Å²	39.9	58%	0.58	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-36.9	-176.8	54.5	0	0	0	0	113.9	T237 K238	T237-S241 WeakPolarHBondContact O-CB 3.43Å; T237-S241 PolarHBondContact O-N 3.24Å; T237-S241 VanDerWaalsContact O-N 3.13Å; T237-S241 PolarHBondContact O-OG 2.78Å; K238-S241 PolarHBondContact O-OG 2.84Å
242	S	97.7	Very high	98.1	Very high	39 Å²	39	38.5 Å²	38.5	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-86.6	-16.9	-175.4	-55.8	0	0	0	0	114.1	R193 K238 L240	R193-S242 VanDerWaalsContact CD-O 3.31Å; R193-S242 WeakPolarHBondContact CD-O 3.1Å; R193-S242 PolarHBondContact NH1-O 2.9Å; R193-S242 VanDerWaalsContact NH1-O 3.08Å; K238-S242 WeakPolarHBondContact O-CA 3.49Å; K238-S242 WeakPolarHBondContact O-CB 3.47Å; K238-S242 PolarHBondContact O-N 2.93Å; K238-S242 PolarHBondContact O-OG 2.95Å; L240-S242 PolarHBondContact O-N 3.34Å
243	A	97.2	Very high	98	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-104.5	-0.9	174.1	0	0	0	0	0	113.6	L189 R193 L239 L245	L189-A243 HydrophobicContact CD1-CB 3.78Å; R193-A243 HydrophobicContact CG-CB 4.23Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.46Å; L239-A243 PolarHBondContact O-N 2.79Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 HydrophobicContact CB-CD1 3.72Å; A243-L245 HydrophobicContact CB-CG 3.73Å; A243-L245 PolarHBondContact O-N 3.31Å
244	N	97.4	Very high	98	Very high	76 Å²	76	40.9 Å²	40.9	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	47.5	-170.8	-157.3	29.1	0	0	0	113.7	L240 E285	L240-N244 WeakPolarHBondContact O-CA 3.37Å; L240-N244 PolarHBondContact O-N 2.94Å; L240-N244 VanDerWaalsContact O-N 3.09Å; N244-E285 WeakPolarHBondContact ND2-CB 3.44Å; N244-E285 PolarHBondContact ND2-OE2 3.16Å; N244-E285 PolarHBondContact O-N 2.73Å; N244-E285 PolarHBondContact OD1-OE2 3.01Å
245	L	98.7	Very high	97.9	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.6	-179.8	-65.6	174.1	0	0	0	111.1	L192 V203 L240 A243 L282 V283	L192-L245 HydrophobicContact CD1-CD1 3.95Å; V203-L245 HydrophobicContact CG2-CD1 4.18Å; L240-L245 HydrophobicContact CD2-CB 4.27Å; L240-L245 PolarHBondContact O-N 3.08Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 HydrophobicContact CB-CD1 3.72Å; A243-L245 HydrophobicContact CB-CG 3.73Å; A243-L245 PolarHBondContact O-N 3.31Å; L245-L282 HydrophobicContact CB-CB 4.26Å; L245-L282 HydrophobicContact CD1-CB 4.42Å; L245-L282 HydrophobicContact CD1-CD1 4.4Å; L245-V283 CarbonylContact C-O 3.39Å; L245-V283 WeakPolarHBondContact CA-O 3.4Å
246	I	98.7	Very high	97.8	Very high	42 Å²	42	46.4 Å²	46.4	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.1	179.3	-55.5	-61.2	0	0	0	109.4	T248 H251 L282 V283 E285 L288	I246-T248 PolarHBondContact O-N 2.9Å; I246-H251 HydrophobicContact CG2-CB 3.96Å; I246-L282 VanDerWaalsContact O-CA 3.31Å; I246-L282 WeakPolarHBondContact O-CA 3.47Å; I246-V283 HydrophobicContact CB-CG2 4.32Å; I246-V283 PolarHBondContact N-O 3.36Å; I246-V283 PolarHBondContact O-N 2.91Å; I246-E285 HydrophobicContact CD1-CB 4.48Å; I246-E285 HydrophobicContact CD1-CG 4.42Å; I246-E285 HydrophobicContact CG1-CB 4.11Å; I246-E285 HydrophobicContact CG1-CG 4.32Å; I246-L288 HydrophobicContact CB-CD1 4.35Å; I246-L288 HydrophobicContact CG1-CD2 4.31Å; I246-L288 HydrophobicContact CG2-CD1 3.9Å; I246-L288 HydrophobicContact CG2-CD2 4.28Å
247	D	98.8	Very high	97.6	Very high	12 Å²	12	55 Å²	55	6%	0.064	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	104.3	164.3	176.1	-8.8	0	0	0	109	Y249 R250 H251 R277 L282	D247-Y249 PolarHBondContact O-N 3.19Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.29Å; D247-Y249 PolarHBondContact OD1-N 3.2Å; D247-R250 HydrophobicContact CB-CB 4.49Å; D247-R250 PolarHBondContact O-N 2.94Å; D247-R250 PolarHBondContact OD1-N 3.05Å; D247-H251 PolarHBondContact O-N 2.86Å; D247-R277 VanDerWaalsContact CG-NH1 3.3Å; D247-R277 IonicContact OD1-NH1 3.96Å; D247-R277 PolarHBondContact OD1-NH1 2.71Å; D247-R277 IonicContact OD2-CZ 2.59Å; D247-R277 IonicContact OD2-NH1 2.89Å; D247-R277 PolarHBondContact OD2-NH1 3.46Å; D247-R277 IonicContact OD2-NH2 3.73Å; D247-R277 PolarHBondContact OD2-NH2 3.1Å; D247-L282 HydrophobicContact CB-CD2 4.07Å
248	T	98.4	Very high	97.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-25.2	-173.7	42.7	0	0	0	0	112.8	I246 F252 F281 V283 L288 I291 Q294 L310	I246-T248 PolarHBondContact O-N 2.9Å; T248-F252 WeakPolarHBondContact O-CD2 3.28Å; T248-F252 PolarHBondContact O-N 2.81Å; T248-F281 PolarHBondContact N-O 3.23Å; T248-F281 VanDerWaalsContact OG1-CB 3.29Å; T248-F281 WeakPolarHBondContact OG1-CB 3.32Å; T248-F281 PolarHBondContact OG1-O 3.15Å; T248-F281 VanDerWaalsContact OG1-O 3.11Å; T248-V283 HydrophobicContact CG2-CB 4.2Å; T248-V283 HydrophobicContact CG2-CG1 3.67Å; T248-V283 HydrophobicContact CG2-CG2 3.48Å; T248-V283 VanDerWaalsContact CG2-CG2 3.48Å; T248-L288 HydrophobicContact CG2-CD1 4.37Å; T248-I291 HydrophobicContact CG2-CG1 4.19Å; T248-I291 HydrophobicContact CG2-CG2 4.19Å; T248-Q294 PolarHBondContact OG1-OE1 3.16Å; T248-L310 HydrophobicContact CG2-CD1 4.22Å
249	Y	98	Very high	97.2	Very high	3 Å²	3	47 Å²	47	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-71.6	-46.3	179.5	-167.7	-101.5	0	0	0	110.9	D247 H251 F252 Y253 R256 V259 Q294 I296	D247-Y249 PolarHBondContact O-N 3.19Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.29Å; D247-Y249 PolarHBondContact OD1-N 3.2Å; Y249-H251 VanDerWaalsContact C-N 3.3Å; Y249-F252 PolarHBondContact O-N 3.14Å; Y249-Y253 HydrophobicContact CD2-CD2 4.05Å; Y249-Y253 AromaticContact CE2-CD2 3.73Å; Y249-Y253 HydrophobicContact CE2-CD2 3.73Å; Y249-Y253 HydrophobicContact CE2-CE2 4.37Å; Y249-Y253 WeakPolarHBondContact O-CA 3.3Å; Y249-Y253 WeakPolarHBondContact O-CB 3.45Å; Y249-Y253 PolarHBondContact O-N 3.11Å; Y249-R256 VanDerWaalsContact OH-CD 3.25Å; Y249-R256 WeakPolarHBondContact OH-CD 3.36Å; Y249-V259 HydrophobicContact CE1-CB 4.44Å; Y249-V259 VanDerWaalsContact OH-CB 3.31Å; Y249-V259 WeakPolarHBondContact OH-CB 3.39Å; Y249-V259 WeakPolarHBondContact OH-CG1 3.3Å; Y249-V259 WeakPolarHBondContact OH-CG2 3.49Å; Y249-Q294 HydrophobicContact CD2-CB 4.44Å; Y249-Q294 HydrophobicContact CD2-CG 4.37Å; Y249-I296 HydrophobicContact CD1-CD1 4.23Å; Y249-I296 HydrophobicContact CD2-CD1 3.68Å; Y249-I296 HydrophobicContact CD2-CG1 3.89Å; Y249-I296 HydrophobicContact CE1-CD1 4.08Å; Y249-I296 HydrophobicContact CE2-CD1 3.51Å; Y249-I296 HydrophobicContact CE2-CG1 3.63Å; Y249-I296 HydrophobicContact CG-CD1 4.04Å
250	R	97.9	Very high	97.1	Very high	36 Å²	36	47.2 Å²	47.2	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-75.5	-19.5	178.2	-69.2	-70.2	167.9	-141.5	2	112.8	D215 D247 Y253 P254 R256 R277	D215-R250 IonicContact OD1-CZ 3.4Å; D215-R250 VanDerWaalsContact OD1-CZ 3.26Å; D215-R250 IonicContact OD1-NE 3.98Å; D215-R250 PolarHBondContact OD1-NE 2.86Å; D215-R250 IonicContact OD1-NH2 2.67Å; D215-R250 PolarHBondContact OD1-NH2 3.21Å; D247-R250 HydrophobicContact CB-CB 4.49Å; D247-R250 PolarHBondContact O-N 2.94Å; D247-R250 PolarHBondContact OD1-N 3.05Å; R250-Y253 PolarHBondContact NH1-O 2.81Å; R250-P254 PolarHBondContact NH1-O 3.1Å; R250-P254 WeakPolarHBondContact O-CA 3.37Å; R250-P254 WeakPolarHBondContact O-CD 3.46Å; R250-R256 PolarHBondContact NH1-O 3.11Å; R250-R277 VanDerWaalsContact CG-NH2 3.34Å
251	H	97.7	Very high	97	Very high	94 Å²	94	46 Å²	46	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-52.4	167.6	-179	68.7	0	0	0	112.5	I246 D247 Y249	I246-H251 HydrophobicContact CG2-CB 3.96Å; D247-H251 PolarHBondContact O-N 2.86Å; Y249-H251 VanDerWaalsContact C-N 3.3Å
252	F	96.8	Very high	97.1	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.211	21%	0.212	C	C	.	.	H	α-helix	trans	-78.6	-30.2	179.4	-64.7	-63.5	0	0	0	113.3	L54 T248 Y249 I291	L54-F252 HydrophobicContact CD1-CB 3.99Å; L54-F252 HydrophobicContact CD1-CD1 3.67Å; L54-F252 HydrophobicContact CD1-CE1 4.43Å; L54-F252 HydrophobicContact CD1-CG 3.96Å; T248-F252 WeakPolarHBondContact O-CD2 3.28Å; T248-F252 PolarHBondContact O-N 2.81Å; Y249-F252 PolarHBondContact O-N 3.14Å; F252-I291 HydrophobicContact CE2-CB 4.29Å; F252-I291 HydrophobicContact CE2-CG2 3.61Å; F252-I291 HydrophobicContact CZ-CB 4.15Å; F252-I291 HydrophobicContact CZ-CG2 3.91Å
253	Y	96.3	Very high	97	Very high	24 Å²	24	41.9 Å²	41.9	9%	0.094	20%	0.199	C	C	.	.			trans	-133.2	61	-170.7	-52.7	-59.6	0	0	0	112.6	L54 Y249 R250 D255 R256 D293 Q294	L54-Y253 HydrophobicContact CD1-CE1 4.23Å; L54-Y253 WeakPolarHBondContact CD1-OH 3.15Å; L54-Y253 WeakPolarHBondContact CG-OH 3.32Å; Y249-Y253 HydrophobicContact CD2-CD2 4.05Å; Y249-Y253 AromaticContact CE2-CD2 3.73Å; Y249-Y253 HydrophobicContact CE2-CD2 3.73Å; Y249-Y253 HydrophobicContact CE2-CE2 4.37Å; Y249-Y253 WeakPolarHBondContact O-CA 3.3Å; Y249-Y253 WeakPolarHBondContact O-CB 3.45Å; Y249-Y253 PolarHBondContact O-N 3.11Å; R250-Y253 PolarHBondContact NH1-O 2.81Å; Y253-D255 PolarHBondContact O-N 3.08Å; Y253-R256 VanDerWaalsContact CZ-NH1 3.32Å; Y253-R256 PolarHBondContact O-N 3.45Å; Y253-D293 VanDerWaalsContact CE2-OD1 3.24Å; Y253-D293 WeakPolarHBondContact CE2-OD1 3.4Å; Y253-D293 VanDerWaalsContact CZ-OD1 3.31Å; Y253-D293 VanDerWaalsContact OH-CG 3.28Å; Y253-D293 PolarHBondContact OH-OD1 3.05Å; Y253-D293 PolarHBondContact OH-OD2 2.93Å; Y253-D293 VanDerWaalsContact OH-OD2 3.07Å; Y253-Q294 WeakPolarHBondContact CE2-O 3.44Å
254	P	97.3	Very high	96.9	Very high	70 Å²	70	43.2 Å²	43.2	46%	0.455	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-50.1	-176	21.3	-32.6	0	0	0	112	R250	R250-P254 PolarHBondContact NH1-O 3.1Å; R250-P254 WeakPolarHBondContact O-CA 3.37Å; R250-P254 WeakPolarHBondContact O-CD 3.46Å
255	D	96.6	Very high	96.6	Very high	137 Å²	137	44 Å²	44	73%	0.733	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	1.9	-173.4	-55.7	-66.6	0	0	0	114.9	Y253 R257	Y253-D255 PolarHBondContact O-N 3.08Å; D255-R257 PolarHBondContact O-N 2.98Å; D255-R257 VanDerWaalsContact O-N 3.09Å
256	R	94.7	Very high	96	Very high	70 Å²	70	53.7 Å²	53.7	26%	0.264	24%	0.242	S	C	.	.			trans	-73.6	107.5	-174.1	-171.3	-178.1	-83.1	173.2	-6.7	110.7	Y249 R250 Y253 V259	Y249-R256 VanDerWaalsContact OH-CD 3.25Å; Y249-R256 WeakPolarHBondContact OH-CD 3.36Å; R250-R256 PolarHBondContact NH1-O 3.11Å; Y253-R256 VanDerWaalsContact CZ-NH1 3.32Å; Y253-R256 PolarHBondContact O-N 3.45Å; R256-V259 HydrophobicContact CG-CG2 3.94Å
257	R	94.5	Very high	95.4	Very high	187 Å²	187	55.7 Å²	55.7	71%	0.706	26%	0.256	S	S	*	.			trans	-87	154.3	-178.9	-62.1	-173.4	172.5	-96.7	-5.2	113	Y43 I214 D255 V259	Y43-R257 PolarHBondContact OH-O 3.34Å; I214-R257 HydrophobicContact CD1-CG 3.68Å; I214-R257 HydrophobicContact CG1-CG 3.94Å; D255-R257 PolarHBondContact O-N 2.98Å; D255-R257 VanDerWaalsContact O-N 3.09Å; R257-V259 VanDerWaalsContact C-N 3.28Å; R257-V259 PolarHBondContact O-N 2.81Å
258	G	94.5	Very high	94.9	Very high	11 Å²	11	58.1 Å²	58.1	11%	0.113	28%	0.278	C	S	.	.	S	Bend	trans	76.1	7.6	170.5	0	0	0	0	0	115.4	Y43 N273	Y43-G258 VanDerWaalsContact OH-C 3.29Å; Y43-G258 WeakPolarHBondContact OH-CA 3.48Å; Y43-G258 PolarHBondContact OH-O 2.94Å; Y43-G258 VanDerWaalsContact OH-O 3.05Å; G258-N273 PolarHBondContact O-ND2 2.83Å
259	V	94.2	Very high	94.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	28%	0.278	C	S	.	.			trans	-98.2	117.7	173.4	-166.5	0	0	0	0	108.9	Y43 Y249 R256 R257 I296	Y43-V259 HydrophobicContact CD1-CG2 3.49Å; Y43-V259 VanDerWaalsContact CD1-CG2 3.49Å; Y43-V259 HydrophobicContact CD2-CG2 4.13Å; Y43-V259 HydrophobicContact CE1-CG2 3.45Å; Y43-V259 VanDerWaalsContact CE1-CG2 3.45Å; Y43-V259 HydrophobicContact CE2-CG2 4.09Å; Y43-V259 HydrophobicContact CG-CG2 3.86Å; Y249-V259 HydrophobicContact CE1-CB 4.44Å; Y249-V259 VanDerWaalsContact OH-CB 3.31Å; Y249-V259 WeakPolarHBondContact OH-CB 3.39Å; Y249-V259 WeakPolarHBondContact OH-CG1 3.3Å; Y249-V259 WeakPolarHBondContact OH-CG2 3.49Å; R256-V259 HydrophobicContact CG-CG2 3.94Å; R257-V259 VanDerWaalsContact C-N 3.28Å; R257-V259 PolarHBondContact O-N 2.81Å; V259-I296 HydrophobicContact CG1-CB 3.87Å; V259-I296 HydrophobicContact CG1-CD1 3.87Å; V259-I296 HydrophobicContact CG1-CG1 4.31Å; V259-I296 HydrophobicContact CG1-CG2 4.06Å
260	Y	96.9	Very high	94.6	Very high	18 Å²	18	58.5 Å²	58.5	7%	0.071	28%	0.28	C	S	.	.			trans	-126.2	166.2	-175.6	-55.6	-54.9	0	0	0	109.3	D215 L216 A217 W263 N273 G275 W276 I296	D215-Y260 WeakPolarHBondContact O-CD1 3.37Å; L216-Y260 PolarHBondContact O-OH 3.07Å; A217-Y260 VanDerWaalsContact CA-OH 3.3Å; A217-Y260 WeakPolarHBondContact CA-OH 3.38Å; A217-Y260 HydrophobicContact CB-CE2 3.89Å; A217-Y260 PolarHBondContact N-OH 3.47Å; Y260-W263 WeakPolarHBondContact O-CH2 3.31Å; Y260-W263 VanDerWaalsContact O-CZ2 3.31Å; Y260-W263 WeakPolarHBondContact O-CZ2 3.34Å; Y260-N273 WeakPolarHBondContact CD2-OD1 3.48Å; Y260-N273 WeakPolarHBondContact CE2-O 3.32Å; Y260-G275 VanDerWaalsContact CD2-CA 3.47Å; Y260-W276 WeakPolarHBondContact CB-O 3.28Å; Y260-I296 WeakPolarHBondContact O-CG2 3.41Å
261	S	98	Very high	94.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-116.8	-17.4	177.7	68.7	0	0	0	0	113.3	W263 W276 L278 D279 H305 C306	S261-W263 VanDerWaalsContact C-CZ3 3.5Å; S261-W263 WeakPolarHBondContact O-CZ3 3.35Å; S261-W276 PolarHBondContact N-O 2.77Å; S261-L278 PolarHBondContact OG-N 3.29Å; S261-D279 WeakPolarHBondContact CB-OD2 3.41Å; S261-D279 WeakPolarHBondContact OG-CB 3.22Å; S261-D279 PolarHBondContact OG-N 3.05Å; S261-D279 PolarHBondContact OG-OD2 3.05Å; S261-H305 CarbonylContact O-C 3.56Å; S261-H305 WeakPolarHBondContact O-CA 3.34Å; S261-C306 PolarHBondContact O-N 3.38Å
262	F	98.2	Very high	94.1	Very high	32 Å²	32	59.6 Å²	59.6	14%	0.14	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-128.8	141.1	-179.4	166.6	-102.9	0	0	0	112.5	G275 W276 L278 D304 H305	F262-G275 CarbonylContact O-C 3.54Å; F262-G275 WeakPolarHBondContact O-CA 3.37Å; F262-W276 HydrophobicContact CB-CB 4.46Å; F262-W276 HydrophobicContact CD1-CB 3.98Å; F262-W276 AromaticContact CD1-CD1 3.71Å; F262-W276 AromaticContact CD1-CG 3.87Å; F262-W276 HydrophobicContact CD1-CG 3.87Å; F262-W276 HydrophobicContact CE1-CG 4.41Å; F262-W276 PolarHBondContact N-O 2.72Å; F262-W276 PolarHBondContact O-N 3.19Å; F262-L278 HydrophobicContact CB-CD1 3.8Å; F262-L278 HydrophobicContact CB-CG 4.11Å; F262-L278 HydrophobicContact CD1-CD1 3.71Å; F262-L278 HydrophobicContact CE1-CD1 4.43Å; F262-L278 HydrophobicContact CG-CD1 3.79Å; F262-D304 WeakPolarHBondContact CA-O 3.33Å; F262-D304 HydrophobicContact CD2-CB 4.17Å; F262-D304 HydrophobicContact CE2-CB 4.01Å; F262-H305 AromaticContact CD2-CD2 3.56Å; F262-H305 AromaticContact CD2-CE1 3.86Å; F262-H305 AromaticContact CD2-NE2 3.37Å; F262-H305 WeakPolarHBondContact CD2-NE2 3.42Å
263	W	97.3	Very high	94	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.011	29%	0.288	C	S	.	.			trans	-141	114.5	171.7	-55.6	-98.4	0	0	0	110.8	W39 Y260 S261 Y265 A269 R270 N273 C298 D304 C306	W39-W263 AromaticContact CH2-CE2 3.78Å; W39-W263 HydrophobicContact CH2-CH2 4.25Å; W39-W263 AromaticContact CH2-CZ2 3.44Å; W39-W263 HydrophobicContact CH2-CZ2 3.44Å; W39-W263 VanDerWaalsContact CH2-CZ2 3.44Å; W39-W263 AromaticContact CH2-NE1 3.91Å; W39-W263 HydrophobicContact CZ2-CZ2 4.2Å; W39-W263 HydrophobicContact CZ3-CZ2 4.33Å; Y260-W263 WeakPolarHBondContact O-CH2 3.31Å; Y260-W263 VanDerWaalsContact O-CZ2 3.31Å; Y260-W263 WeakPolarHBondContact O-CZ2 3.34Å; S261-W263 VanDerWaalsContact C-CZ3 3.5Å; S261-W263 WeakPolarHBondContact O-CZ3 3.35Å; W263-Y265 PolarHBondContact O-N 2.95Å; W263-A269 HydrophobicContact CB-CB 3.99Å; W263-R270 HydrophobicContact CB-CB 3.6Å; W263-R270 HydrophobicContact CB-CG 4.06Å; W263-R270 HydrophobicContact CD2-CB 4.32Å; W263-R270 HydrophobicContact CD2-CG 3.8Å; W263-R270 HydrophobicContact CE3-CG 4.08Å; W263-R270 HydrophobicContact CG-CB 3.77Å; W263-R270 HydrophobicContact CG-CG 3.78Å; W263-N273 PolarHBondContact NE1-OD1 2.84Å; W263-C298 HydrophobicContact CH2-CB 3.76Å; W263-C298 HydrophobicContact CZ2-CB 4.15Å; W263-D304 PolarHBondContact N-O 3.17Å; W263-D304 WeakPolarHBondContact O-CB 3.17Å; W263-C306 HydrophobicContact CH2-CB 4.32Å; W263-C306 HydrophobicContact CZ3-CB 3.92Å
264	S	94.2	Very high	94	Very high	36 Å²	36	58.7 Å²	58.7	25%	0.252	29%	0.292	S	S	.	.			trans	-62.1	125.4	-173.9	-173	0	0	0	0	114	R266 T267	S264-R266 PolarHBondContact O-N 2.65Å; S264-R266 PolarHBondContact OG-N 3.14Å; S264-T267 PolarHBondContact O-N 3.21Å; S264-T267 VanDerWaalsContact O-O 3.06Å
265	Y	91.2	Very high	94	Very high	92 Å²	92	55.3 Å²	55.3	36%	0.361	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.3	171.6	-69.7	-51.6	0	0	0	115.4	L29 W263 T267 S303 D304	L29-Y265 HydrophobicContact CD2-CD2 4.29Å; L29-Y265 HydrophobicContact CD2-CE2 4.14Å; W263-Y265 PolarHBondContact O-N 2.95Å; Y265-T267 PolarHBondContact O-N 3.37Å; Y265-T267 VanDerWaalsContact O-N 3.16Å; Y265-S303 WeakPolarHBondContact OH-CA 3.02Å; Y265-D304 HydrophobicContact CD1-CB 4.3Å; Y265-D304 HydrophobicContact CD2-CB 3.65Å; Y265-D304 WeakPolarHBondContact CD2-OD2 3.38Å; Y265-D304 HydrophobicContact CE1-CB 4.14Å; Y265-D304 HydrophobicContact CE2-CB 3.47Å; Y265-D304 VanDerWaalsContact CE2-CB 3.47Å; Y265-D304 VanDerWaalsContact CE2-CG 3.47Å; Y265-D304 HydrophobicContact CG-CB 4.08Å; Y265-D304 PolarHBondContact OH-N 3.12Å; Y265-D304 VanDerWaalsContact OH-N 3.1Å
266	R	87	Confident	94	Very high	210 Å²	210	50.1 Å²	50.1	79%	0.792	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.8	179.7	-67.2	-178.1	176.2	-178.2	-0.3	113.9	S264	S264-R266 PolarHBondContact O-N 2.65Å; S264-R266 PolarHBondContact OG-N 3.14Å
267	T	85.2	Confident	94.2	Very high	85 Å²	85	46.8 Å²	46.8	52%	0.521	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	171.6	178.3	60.9	0	0	0	0	108.3	S264 Y265 A269	S264-T267 PolarHBondContact O-N 3.21Å; S264-T267 VanDerWaalsContact O-O 3.06Å; Y265-T267 PolarHBondContact O-N 3.37Å; Y265-T267 VanDerWaalsContact O-N 3.16Å; T267-A269 PolarHBondContact O-N 3.22Å; T267-A269 WeakPolarHBondContact OG1-CB 3.32Å; T267-A269 PolarHBondContact OG1-N 2.91Å
268	A	88.6	Confident	94.4	Very high	63 Å²	63	38.2 Å²	38.2	52%	0.521	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	38	167.7	0	0	0	0	0	112.6	R270 S271 I272	A268-R270 PolarHBondContact O-N 2.92Å; A268-R270 VanDerWaalsContact O-N 3.11Å; A268-S271 PolarHBondContact O-N 3.05Å; A268-S271 VanDerWaalsContact O-N 3.14Å; A268-S271 PolarHBondContact O-OG 2.9Å; A268-S271 VanDerWaalsContact O-OG 3.05Å; A268-I272 PolarHBondContact O-N 2.83Å
269	A	94.3	Very high	94.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.7	-171.9	0	0	0	0	0	112.5	W263 T267 N273 N274	W263-A269 HydrophobicContact CB-CB 3.99Å; T267-A269 PolarHBondContact O-N 3.22Å; T267-A269 WeakPolarHBondContact OG1-CB 3.32Å; T267-A269 PolarHBondContact OG1-N 2.91Å; A269-N273 CarbonylContact O-C 3.47Å; A269-N273 WeakPolarHBondContact O-CA 3.26Å; A269-N273 PolarHBondContact O-N 2.86Å; A269-N273 VanDerWaalsContact O-N 3.1Å; A269-N274 HydrophobicContact CB-CB 4.35Å; A269-N274 PolarHBondContact O-N 3.22Å
270	R	95.1	Very high	94.9	Very high	9 Å²	9	37.6 Å²	37.6	3%	0.034	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-32	-176.8	-162.4	164.6	-179.5	168.4	0.2	113.6	L37 W39 W263 A268 N273 C298 V300 S303	L37-R270 HydrophobicContact CD2-CG 4.01Å; W39-R270 HydrophobicContact CZ2-CG 4.19Å; W39-R270 VanDerWaalsContact CZ2-O 3.26Å; W39-R270 WeakPolarHBondContact CZ2-O 3.37Å; W39-R270 PolarHBondContact NE1-O 3.09Å; W263-R270 HydrophobicContact CB-CB 3.6Å; W263-R270 HydrophobicContact CB-CG 4.06Å; W263-R270 HydrophobicContact CD2-CB 4.32Å; W263-R270 HydrophobicContact CD2-CG 3.8Å; W263-R270 HydrophobicContact CE3-CG 4.08Å; W263-R270 HydrophobicContact CG-CB 3.77Å; W263-R270 HydrophobicContact CG-CG 3.78Å; A268-R270 PolarHBondContact O-N 2.92Å; A268-R270 VanDerWaalsContact O-N 3.11Å; R270-N273 PolarHBondContact O-N 3.15Å; R270-C298 PolarHBondContact NH2-O 3.49Å; R270-V300 PolarHBondContact NH2-O 3.34Å; R270-S303 PolarHBondContact NH1-O 2.78Å; R270-S303 VanDerWaalsContact NH1-O 3.08Å
271	S	92.5	Very high	95	Very high	42 Å²	42	36.8 Å²	36.8	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.3	178.1	61.4	0	0	0	0	112.9	A268	A268-S271 PolarHBondContact O-N 3.05Å; A268-S271 VanDerWaalsContact O-N 3.14Å; A268-S271 PolarHBondContact O-OG 2.9Å; A268-S271 VanDerWaalsContact O-OG 3.05Å
272	I	92.8	Very high	95	Very high	111 Å²	111	36.8 Å²	36.8	57%	0.569	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	8.1	175.4	65.9	168.8	0	0	0	113.6	A268 N274	A268-I272 PolarHBondContact O-N 2.83Å; I272-N274 VanDerWaalsContact C-N 3.26Å; I272-N274 HydrophobicContact CD1-CB 3.93Å; I272-N274 HydrophobicContact CG1-CB 3.87Å; I272-N274 PolarHBondContact O-N 3.41Å
273	N	95.2	Very high	95	Very high	18 Å²	18	35.2 Å²	35.2	10%	0.096	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	38.1	-174.9	-161.8	29.1	0	0	0	115.6	W39 G258 Y260 W263 A269 R270 G275	W39-N273 HydrophobicContact CD2-CB 3.67Å; W39-N273 HydrophobicContact CE3-CB 3.87Å; W39-N273 VanDerWaalsContact CE3-CG 3.42Å; W39-N273 HydrophobicContact CG-CB 4.06Å; W39-N273 HydrophobicContact CH2-CB 4.45Å; W39-N273 WeakPolarHBondContact CH2-OD1 3.43Å; W39-N273 HydrophobicContact CZ2-CB 4.24Å; W39-N273 HydrophobicContact CZ3-CB 4.28Å; W39-N273 VanDerWaalsContact CZ3-CG 3.45Å; W39-N273 WeakPolarHBondContact CZ3-OD1 3.46Å; G258-N273 PolarHBondContact O-ND2 2.83Å; Y260-N273 WeakPolarHBondContact CD2-OD1 3.48Å; Y260-N273 WeakPolarHBondContact CE2-O 3.32Å; W263-N273 PolarHBondContact NE1-OD1 2.84Å; A269-N273 CarbonylContact O-C 3.47Å; A269-N273 WeakPolarHBondContact O-CA 3.26Å; A269-N273 PolarHBondContact O-N 2.86Å; A269-N273 VanDerWaalsContact O-N 3.1Å; R270-N273 PolarHBondContact O-N 3.15Å; N273-G275 PolarHBondContact O-N 3.21Å
274	N	95.6	Very high	95.1	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	18%	0.18	C	C	.	.			trans	-82.3	64.7	172.7	-175	42	0	0	0	110.1	R218 A269 I272	R218-N274 WeakPolarHBondContact CD-OD1 3.5Å; R218-N274 PolarHBondContact NE-OD1 3.47Å; A269-N274 HydrophobicContact CB-CB 4.35Å; A269-N274 PolarHBondContact O-N 3.22Å; I272-N274 VanDerWaalsContact C-N 3.26Å; I272-N274 HydrophobicContact CD1-CB 3.93Å; I272-N274 HydrophobicContact CG1-CB 3.87Å; I272-N274 PolarHBondContact O-N 3.41Å
275	G	97	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.			trans	-105	176.4	-170.5	0	0	0	0	0	115.6	L216 A217 Y260 F262 N273	L216-G275 WeakPolarHBondContact CD1-O 3.23Å; A217-G275 PolarHBondContact N-O 3.06Å; Y260-G275 VanDerWaalsContact CD2-CA 3.47Å; F262-G275 CarbonylContact O-C 3.54Å; F262-G275 WeakPolarHBondContact O-CA 3.37Å; N273-G275 PolarHBondContact O-N 3.21Å
276	W	98.2	Very high	95.6	Very high	28 Å²	28	40.2 Å²	40.2	11%	0.106	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-132.4	139.6	177.5	-52.5	54.8	0	0	0	108.4	A210 D215 L216 N222 T225 F228 Y260 S261 F262 L278	A210-W276 HydrophobicContact CB-CE3 4.48Å; D215-W276 CarbonylContact O-C 3.57Å; D215-W276 WeakPolarHBondContact O-CA 3.44Å; L216-W276 HydrophobicContact CD1-CB 4.27Å; L216-W276 HydrophobicContact CD1-CD2 3.3Å; L216-W276 HydrophobicContact CD1-CE3 3.78Å; L216-W276 HydrophobicContact CD1-CG 3.55Å; L216-W276 HydrophobicContact CD1-CH2 4.23Å; L216-W276 HydrophobicContact CD1-CZ2 3.83Å; L216-W276 HydrophobicContact CD1-CZ3 4.24Å; L216-W276 HydrophobicContact CD2-CD2 4.41Å; L216-W276 HydrophobicContact CD2-CE3 4.08Å; L216-W276 HydrophobicContact CD2-CH2 3.96Å; L216-W276 HydrophobicContact CD2-CZ2 4.31Å; L216-W276 HydrophobicContact CD2-CZ3 3.88Å; L216-W276 HydrophobicContact CG-CD2 4.48Å; N222-W276 HydrophobicContact CB-CH2 3.94Å; N222-W276 HydrophobicContact CB-CZ2 4.47Å; N222-W276 WeakPolarHBondContact OD1-CH2 3.48Å; N222-W276 WeakPolarHBondContact OD1-CZ2 3.35Å; T225-W276 HydrophobicContact CG2-CH2 3.52Å; T225-W276 HydrophobicContact CG2-CZ2 4.12Å; T225-W276 HydrophobicContact CG2-CZ3 4.38Å; F228-W276 HydrophobicContact CB-CH2 4.31Å; F228-W276 HydrophobicContact CB-CZ3 3.7Å; Y260-W276 WeakPolarHBondContact CB-O 3.28Å; S261-W276 PolarHBondContact N-O 2.77Å; F262-W276 HydrophobicContact CB-CB 4.46Å; F262-W276 HydrophobicContact CD1-CB 3.98Å; F262-W276 AromaticContact CD1-CD1 3.71Å; F262-W276 AromaticContact CD1-CG 3.87Å; F262-W276 HydrophobicContact CD1-CG 3.87Å; F262-W276 HydrophobicContact CE1-CG 4.41Å; F262-W276 PolarHBondContact N-O 2.72Å; F262-W276 PolarHBondContact O-N 3.19Å; W276-L278 HydrophobicContact CB-CD1 4.26Å; W276-L278 HydrophobicContact CB-CD2 3.91Å; W276-L278 HydrophobicContact CB-CG 3.81Å; W276-L278 HydrophobicContact CE3-CD2 4.24Å
277	R	98.6	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-92.2	99.8	168.3	-171	179	68.9	104.5	0.7	108.6	A210 D215 D247 R250 Y280	A210-R277 WeakPolarHBondContact CA-O 3.26Å; D215-R277 HydrophobicContact CB-CB 4.03Å; D215-R277 VanDerWaalsContact CG-NE 3.3Å; D215-R277 PolarHBondContact O-N 3.22Å; D215-R277 IonicContact OD1-CZ 3.21Å; D215-R277 VanDerWaalsContact OD1-CZ 3.32Å; D215-R277 IonicContact OD1-NE 2.65Å; D215-R277 PolarHBondContact OD1-NE 3.35Å; D215-R277 IonicContact OD1-NH2 3.58Å; D215-R277 PolarHBondContact OD1-NH2 3.44Å; D215-R277 VanDerWaalsContact OD1-NH2 3.09Å; D215-R277 IonicContact OD2-CZ 3.77Å; D215-R277 IonicContact OD2-NE 2.76Å; D215-R277 IonicContact OD2-NH2 3.4Å; D215-R277 PolarHBondContact OD2-NH2 3.44Å; D247-R277 VanDerWaalsContact CG-NH1 3.3Å; D247-R277 IonicContact OD1-NH1 3.96Å; D247-R277 PolarHBondContact OD1-NH1 2.71Å; D247-R277 IonicContact OD2-CZ 2.59Å; D247-R277 IonicContact OD2-NH1 2.89Å; D247-R277 PolarHBondContact OD2-NH1 3.46Å; D247-R277 IonicContact OD2-NH2 3.73Å; D247-R277 PolarHBondContact OD2-NH2 3.1Å; R250-R277 VanDerWaalsContact CG-NH2 3.34Å; R277-Y280 VanDerWaalsContact NH1-CE1 3.3Å; R277-Y280 PolarHBondContact O-OH 2.86Å
278	L	98.8	Very high	96.7	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.148	C	C	.	.			trans	-111.4	-17	-178.2	-55.1	-177.4	0	0	0	112.8	D206 L207 A210 S261 F262 W276 Y280	D206-L278 WeakPolarHBondContact CA-O 3.34Å; L207-L278 PolarHBondContact N-O 2.81Å; A210-L278 HydrophobicContact CB-CD2 4.3Å; S261-L278 PolarHBondContact OG-N 3.29Å; F262-L278 HydrophobicContact CB-CD1 3.8Å; F262-L278 HydrophobicContact CB-CG 4.11Å; F262-L278 HydrophobicContact CD1-CD1 3.71Å; F262-L278 HydrophobicContact CE1-CD1 4.43Å; F262-L278 HydrophobicContact CG-CD1 3.79Å; W276-L278 HydrophobicContact CB-CD1 4.26Å; W276-L278 HydrophobicContact CB-CD2 3.91Å; W276-L278 HydrophobicContact CB-CG 3.81Å; W276-L278 HydrophobicContact CE3-CD2 4.24Å; L278-Y280 VanDerWaalsContact C-CE2 3.49Å; L278-Y280 VanDerWaalsContact O-CD2 3.23Å; L278-Y280 WeakPolarHBondContact O-CD2 3.24Å; L278-Y280 WeakPolarHBondContact O-CE2 3.25Å
279	D	98.9	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.7	-176.6	-54.9	-106.4	0	0	0	110	G205 S261 H305 V308	G205-D279 WeakPolarHBondContact O-CA 3.45Å; S261-D279 WeakPolarHBondContact CB-OD2 3.41Å; S261-D279 WeakPolarHBondContact OG-CB 3.22Å; S261-D279 PolarHBondContact OG-N 3.05Å; S261-D279 PolarHBondContact OG-OD2 3.05Å; D279-H305 IonicContact OD1-ND1 2.77Å; D279-H305 PolarHBondContact OD1-ND1 3.38Å; D279-H305 IonicContact OD2-CE1 3.94Å; D279-H305 IonicContact OD2-CG 2.65Å; D279-H305 IonicContact OD2-ND1 3.54Å; D279-H305 PolarHBondContact OD2-ND1 2.76Å; D279-V308 HydrophobicContact CB-CG1 3.85Å; D279-V308 HydrophobicContact CB-CG2 4.16Å
280	Y	98.9	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	158	-171	-66.9	-99.6	0	0	0	112.3	C204 G205 L207 V209 H211 F236 R277 L278 L282	C204-Y280 VanDerWaalsContact CA-O 3.32Å; C204-Y280 WeakPolarHBondContact CA-O 3.36Å; G205-Y280 PolarHBondContact N-O 2.97Å; G205-Y280 PolarHBondContact O-N 2.63Å; L207-Y280 HydrophobicContact CB-CD2 3.84Å; L207-Y280 HydrophobicContact CB-CE2 4.26Å; L207-Y280 HydrophobicContact CD1-CD2 3.86Å; L207-Y280 HydrophobicContact CD1-CG 3.92Å; L207-Y280 HydrophobicContact CG-CD2 3.87Å; L207-Y280 HydrophobicContact CG-CG 4.37Å; V209-Y280 HydrophobicContact CG1-CE2 4.38Å; V209-Y280 WeakPolarHBondContact O-CE2 3.49Å; V209-Y280 VanDerWaalsContact O-CZ 3.32Å; V209-Y280 PolarHBondContact O-OH 3.05Å; H211-Y280 PolarHBondContact N-OH 3.47Å; F236-Y280 HydrophobicContact CE1-CD1 4.45Å; F236-Y280 AromaticContact CE1-CE1 3.88Å; F236-Y280 HydrophobicContact CE1-CE1 3.88Å; F236-Y280 HydrophobicContact CE2-CE1 4.5Å; F236-Y280 AromaticContact CZ-CD1 3.71Å; F236-Y280 HydrophobicContact CZ-CD1 3.71Å; F236-Y280 HydrophobicContact CZ-CD2 4.5Å; F236-Y280 AromaticContact CZ-CE1 3.52Å; F236-Y280 HydrophobicContact CZ-CE1 3.52Å; F236-Y280 HydrophobicContact CZ-CE2 4.37Å; F236-Y280 HydrophobicContact CZ-CG 4.22Å; F236-Y280 AromaticContact CZ-CZ 3.9Å; R277-Y280 VanDerWaalsContact NH1-CE1 3.3Å; R277-Y280 PolarHBondContact O-OH 2.86Å; L278-Y280 VanDerWaalsContact C-CE2 3.49Å; L278-Y280 VanDerWaalsContact O-CD2 3.23Å; L278-Y280 WeakPolarHBondContact O-CD2 3.24Å; L278-Y280 WeakPolarHBondContact O-CE2 3.25Å; Y280-L282 HydrophobicContact CD1-CD2 4.02Å; Y280-L282 HydrophobicContact CG-CD2 4.31Å
281	F	98.9	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.8	144.5	-81.1	-82.9	0	0	0	107.9	I62 I202 V203 C204 T248 Q294 V308 L310	I62-F281 HydrophobicContact CB-CE1 3.95Å; I62-F281 HydrophobicContact CB-CZ 4.05Å; I62-F281 HydrophobicContact CG2-CE1 3.62Å; I62-F281 HydrophobicContact CG2-CZ 3.8Å; I62-F281 WeakPolarHBondContact O-CZ 3.15Å; I202-F281 HydrophobicContact CG2-CD1 3.89Å; I202-F281 HydrophobicContact CG2-CE1 4.31Å; V203-F281 CarbonylContact O-C 3.55Å; V203-F281 WeakPolarHBondContact O-CA 3.21Å; C204-F281 HydrophobicContact CB-CD1 3.51Å; C204-F281 HydrophobicContact CB-CE1 3.32Å; C204-F281 HydrophobicContact CB-CG 4.3Å; C204-F281 HydrophobicContact CB-CZ 3.96Å; T248-F281 PolarHBondContact N-O 3.23Å; T248-F281 VanDerWaalsContact OG1-CB 3.29Å; T248-F281 WeakPolarHBondContact OG1-CB 3.32Å; T248-F281 PolarHBondContact OG1-O 3.15Å; T248-F281 VanDerWaalsContact OG1-O 3.11Å; F281-Q294 HydrophobicContact CD2-CG 4.25Å; F281-V308 HydrophobicContact CD2-CB 4.41Å; F281-V308 HydrophobicContact CD2-CG2 3.92Å; F281-V308 HydrophobicContact CE2-CB 4.31Å; F281-V308 HydrophobicContact CE2-CG2 3.74Å; F281-L310 HydrophobicContact CB-CD1 4.04Å; F281-L310 HydrophobicContact CB-CD2 4.32Å; F281-L310 HydrophobicContact CD1-CB 3.79Å; F281-L310 HydrophobicContact CD1-CD2 3.64Å; F281-L310 HydrophobicContact CD1-CG 4.22Å; F281-L310 HydrophobicContact CD2-CB 3.73Å; F281-L310 HydrophobicContact CE1-CB 3.75Å; F281-L310 HydrophobicContact CE1-CD2 4.09Å; F281-L310 HydrophobicContact CE2-CB 3.69Å; F281-L310 HydrophobicContact CG-CB 3.76Å; F281-L310 HydrophobicContact CG-CD1 4.18Å; F281-L310 HydrophobicContact CG-CD2 4.05Å; F281-L310 HydrophobicContact CG-CG 4.23Å; F281-L310 HydrophobicContact CZ-CB 3.7Å
282	L	98.9	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	170.3	-47.3	-179	0	0	0	108	I202 V203 L207 F236 L239 L240 L245 I246 D247 Y280	I202-L282 CarbonylContact C-O 3.56Å; I202-L282 WeakPolarHBondContact CA-O 2.84Å; V203-L282 HydrophobicContact CB-CB 4.11Å; V203-L282 HydrophobicContact CG2-CB 4.47Å; V203-L282 PolarHBondContact N-O 2.85Å; V203-L282 PolarHBondContact O-N 2.89Å; L207-L282 HydrophobicContact CD1-CD1 3.66Å; L207-L282 HydrophobicContact CD1-CG 4.04Å; F236-L282 HydrophobicContact CE2-CD1 4.06Å; F236-L282 HydrophobicContact CZ-CD1 4.32Å; F236-L282 HydrophobicContact CZ-CD2 3.99Å; L239-L282 HydrophobicContact CD2-CD1 4.27Å; L240-L282 HydrophobicContact CD2-CD1 3.92Å; L240-L282 HydrophobicContact CD2-CD2 3.75Å; L240-L282 HydrophobicContact CD2-CG 4.36Å; L245-L282 HydrophobicContact CB-CB 4.26Å; L245-L282 HydrophobicContact CD1-CB 4.42Å; L245-L282 HydrophobicContact CD1-CD1 4.4Å; I246-L282 VanDerWaalsContact O-CA 3.31Å; I246-L282 WeakPolarHBondContact O-CA 3.47Å; D247-L282 HydrophobicContact CB-CD2 4.07Å; Y280-L282 HydrophobicContact CD1-CD2 4.02Å; Y280-L282 HydrophobicContact CG-CD2 4.31Å
283	V	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.5	-179.5	-54.9	0	0	0	0	110.9	V201 I202 L245 I246 T248 E285 I287 L288 I291 L310	V201-V283 WeakPolarHBondContact O-CA 3.5Å; I202-V283 HydrophobicContact CG1-CG1 4.25Å; I202-V283 HydrophobicContact CG2-CG1 4.37Å; L245-V283 CarbonylContact C-O 3.39Å; L245-V283 WeakPolarHBondContact CA-O 3.4Å; I246-V283 HydrophobicContact CB-CG2 4.32Å; I246-V283 PolarHBondContact N-O 3.36Å; I246-V283 PolarHBondContact O-N 2.91Å; T248-V283 HydrophobicContact CG2-CB 4.2Å; T248-V283 HydrophobicContact CG2-CG1 3.67Å; T248-V283 HydrophobicContact CG2-CG2 3.48Å; T248-V283 VanDerWaalsContact CG2-CG2 3.48Å; V283-E285 PolarHBondContact O-N 3.07Å; V283-I287 HydrophobicContact CB-CD1 4.12Å; V283-I287 HydrophobicContact CB-CG1 4.16Å; V283-L288 HydrophobicContact CG2-CD1 4.15Å; V283-I291 HydrophobicContact CG1-CD1 4.04Å; V283-I291 HydrophobicContact CG1-CG1 4.24Å; V283-I291 HydrophobicContact CG2-CG1 4.15Å; V283-L310 HydrophobicContact CG1-CD2 4.24Å
284	S	98.7	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	132	168.5	-49.6	0	0	0	0	110	D196 V201 R286 I287	D196-S284 WeakPolarHBondContact OD1-CB 3.48Å; D196-S284 PolarHBondContact OD1-OG 3.01Å; V201-S284 PolarHBondContact N-OG 3.41Å; V201-S284 PolarHBondContact O-N 3.35Å; V201-S284 PolarHBondContact O-OG 3Å; S284-R286 PolarHBondContact O-N 2.99Å; S284-I287 WeakPolarHBondContact O-CG1 3.47Å; S284-I287 PolarHBondContact O-N 3.16Å
285	E	98.3	Very high	97.7	Very high	103 Å²	103	24.8 Å²	24.8	48%	0.481	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-48	-40.2	-176.6	-174	-172.2	-143.9	0	0	113.1	N244 I246 V283 I287 L288	N244-E285 WeakPolarHBondContact ND2-CB 3.44Å; N244-E285 PolarHBondContact ND2-OE2 3.16Å; N244-E285 PolarHBondContact O-N 2.73Å; N244-E285 PolarHBondContact OD1-OE2 3.01Å; I246-E285 HydrophobicContact CD1-CB 4.48Å; I246-E285 HydrophobicContact CD1-CG 4.42Å; I246-E285 HydrophobicContact CG1-CB 4.11Å; I246-E285 HydrophobicContact CG1-CG 4.32Å; V283-E285 PolarHBondContact O-N 3.07Å; E285-I287 PolarHBondContact O-N 2.75Å; E285-I287 VanDerWaalsContact O-N 3.08Å; E285-L288 WeakPolarHBondContact O-CB 3.34Å; E285-L288 PolarHBondContact O-N 2.65Å
286	R	97.3	Very high	97.7	Very high	131 Å²	131	25 Å²	25	49%	0.494	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-63.4	-10.2	179.5	67	-177.1	171.4	-176	-0.8	116.4	D196 K199 P200 S284	D196-R286 PolarHBondContact O-NH1 2.84Å; D196-R286 PolarHBondContact O-NH2 2.9Å; D196-R286 IonicContact OD1-CZ 3.39Å; D196-R286 IonicContact OD1-NE 3.48Å; D196-R286 PolarHBondContact OD1-NE 3Å; D196-R286 IonicContact OD1-NH2 3.83Å; D196-R286 PolarHBondContact OD1-NH2 3.28Å; D196-R286 IonicContact OD2-CZ 2.78Å; D196-R286 IonicContact OD2-NE 3.32Å; D196-R286 IonicContact OD2-NH2 3.09Å; K199-R286 PolarHBondContact O-NH2 2.9Å; P200-R286 HydrophobicContact CG-CG 4.4Å; S284-R286 PolarHBondContact O-N 2.99Å
287	I	97.2	Very high	97.6	Very high	22 Å²	22	23.7 Å²	23.7	11%	0.113	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-112.9	7.3	171.1	58.4	163	0	0	0	113	P200 I202 V283 S284 E285 A289 N290	P200-I287 HydrophobicContact CB-CB 4.39Å; P200-I287 HydrophobicContact CB-CD1 3.9Å; P200-I287 HydrophobicContact CB-CG1 4.09Å; P200-I287 HydrophobicContact CB-CG2 3.45Å; P200-I287 VanDerWaalsContact CB-CG2 3.45Å; P200-I287 HydrophobicContact CG-CG2 3.5Å; I202-I287 HydrophobicContact CD1-CD1 4.23Å; I202-I287 HydrophobicContact CG1-CD1 3.72Å; V283-I287 HydrophobicContact CB-CD1 4.12Å; V283-I287 HydrophobicContact CB-CG1 4.16Å; S284-I287 WeakPolarHBondContact O-CG1 3.47Å; S284-I287 PolarHBondContact O-N 3.16Å; E285-I287 PolarHBondContact O-N 2.75Å; E285-I287 VanDerWaalsContact O-N 3.08Å; I287-A289 PolarHBondContact O-N 2.98Å; I287-N290 WeakPolarHBondContact O-CB 3.14Å; I287-N290 PolarHBondContact O-N 3.22Å
288	L	97.2	Very high	97.4	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.168	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-58	-38.3	179.8	-174.1	62	0	0	0	112.2	I246 T248 V283 E285 N290 I291	I246-L288 HydrophobicContact CB-CD1 4.35Å; I246-L288 HydrophobicContact CG1-CD2 4.31Å; I246-L288 HydrophobicContact CG2-CD1 3.9Å; I246-L288 HydrophobicContact CG2-CD2 4.28Å; T248-L288 HydrophobicContact CG2-CD1 4.37Å; V283-L288 HydrophobicContact CG2-CD1 4.15Å; E285-L288 WeakPolarHBondContact O-CB 3.34Å; E285-L288 PolarHBondContact O-N 2.65Å; L288-N290 PolarHBondContact O-N 2.94Å; L288-I291 WeakPolarHBondContact O-CB 3.43Å; L288-I291 PolarHBondContact O-N 3.29Å
289	A	96.1	Very high	97.1	Very high	102 Å²	102	24.6 Å²	24.6	84%	0.843	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-66.7	-14	176.1	0	0	0	0	0	114.4	I287	I287-A289 PolarHBondContact O-N 2.98Å
290	N	96.7	Very high	96.9	Very high	66 Å²	66	25.3 Å²	25.3	35%	0.353	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-87.9	-14.8	171.4	-66.3	93.8	0	0	0	112.3	I287 L288 L312 Q313	I287-N290 WeakPolarHBondContact O-CB 3.14Å; I287-N290 PolarHBondContact O-N 3.22Å; L288-N290 PolarHBondContact O-N 2.94Å; N290-L312 CarbonylContact O-C 3.52Å; N290-L312 VanDerWaalsContact O-CA 3.24Å; N290-L312 WeakPolarHBondContact O-CA 3.34Å; N290-L312 WeakPolarHBondContact O-CB 3.26Å; N290-Q313 WeakPolarHBondContact CB-O 3.5Å; N290-Q313 PolarHBondContact ND2-O 3.36Å; N290-Q313 PolarHBondContact O-N 3.27Å
291	I	97.3	Very high	96.5	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.2	178.5	-47.8	-50.3	0	0	0	109	T248 F252 V283 L288 L310 L312	T248-I291 HydrophobicContact CG2-CG1 4.19Å; T248-I291 HydrophobicContact CG2-CG2 4.19Å; F252-I291 HydrophobicContact CE2-CB 4.29Å; F252-I291 HydrophobicContact CE2-CG2 3.61Å; F252-I291 HydrophobicContact CZ-CB 4.15Å; F252-I291 HydrophobicContact CZ-CG2 3.91Å; V283-I291 HydrophobicContact CG1-CD1 4.04Å; V283-I291 HydrophobicContact CG1-CG1 4.24Å; V283-I291 HydrophobicContact CG2-CG1 4.15Å; L288-I291 WeakPolarHBondContact O-CB 3.43Å; L288-I291 PolarHBondContact O-N 3.29Å; I291-L310 HydrophobicContact CD1-CD2 4.18Å; I291-L310 HydrophobicContact CG2-CD1 3.51Å; I291-L310 HydrophobicContact CG2-CG 4.25Å; I291-L312 HydrophobicContact CD1-CB 3.9Å; I291-L312 HydrophobicContact CD1-CD1 4.4Å
292	S	96.9	Very high	96.2	Very high	11 Å²	11	27.8 Å²	27.8	8%	0.077	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-36.9	-177.1	-72.1	0	0	0	0	113.3	K57 Y311	K57-S292 PolarHBondContact O-OG 3.28Å; K57-S292 VanDerWaalsContact O-OG 3.05Å; S292-Y311 PolarHBondContact N-O 3.46Å
293	D	96.7	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	166.8	174.6	-156.9	-8.9	0	0	0	110.9	P53 L54 Y253 Y311	P53-D293 VanDerWaalsContact CA-OD2 3.24Å; P53-D293 WeakPolarHBondContact CA-OD2 3.41Å; P53-D293 HydrophobicContact CB-CB 3.94Å; L54-D293 HydrophobicContact CB-CB 4.34Å; L54-D293 HydrophobicContact CG-CB 4.46Å; L54-D293 WeakPolarHBondContact CG-OD2 3.48Å; L54-D293 PolarHBondContact N-OD2 3.43Å; Y253-D293 VanDerWaalsContact CE2-OD1 3.24Å; Y253-D293 WeakPolarHBondContact CE2-OD1 3.4Å; Y253-D293 VanDerWaalsContact CZ-OD1 3.31Å; Y253-D293 VanDerWaalsContact OH-CG 3.28Å; Y253-D293 PolarHBondContact OH-OD1 3.05Å; Y253-D293 PolarHBondContact OH-OD2 2.93Å; Y253-D293 VanDerWaalsContact OH-OD2 3.07Å; D293-Y311 HydrophobicContact CB-CD2 4.24Å; D293-Y311 PolarHBondContact O-N 3.19Å
294	Q	96.4	Very high	95.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.5	162.1	-170.4	-168	-30.5	0	0	112	T248 Y249 Y253 F281 V309 L310	T248-Q294 PolarHBondContact OG1-OE1 3.16Å; Y249-Q294 HydrophobicContact CD2-CB 4.44Å; Y249-Q294 HydrophobicContact CD2-CG 4.37Å; Y253-Q294 WeakPolarHBondContact CE2-O 3.44Å; F281-Q294 HydrophobicContact CD2-CG 4.25Å; Q294-V309 CarbonylContact C-O 3.44Å; Q294-V309 VanDerWaalsContact CA-O 3.25Å; Q294-V309 WeakPolarHBondContact CA-O 3.35Å; Q294-V309 VanDerWaalsContact CG-O 3.23Å; Q294-V309 WeakPolarHBondContact CG-O 3.41Å; Q294-L310 HydrophobicContact CB-CD1 4.23Å; Q294-L310 HydrophobicContact CG-CD1 4.41Å
295	E	96	Very high	95.9	Very high	6 Å²	6	29 Å²	29	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	155.3	177.7	-63.1	-174.7	130.1	0	0	112.3	G45 A51 N52 R297 V309 Y311	G45-E295 VanDerWaalsContact CA-OE1 3.26Å; G45-E295 WeakPolarHBondContact CA-OE1 3.44Å; A51-E295 WeakPolarHBondContact CA-OE1 3.21Å; A51-E295 WeakPolarHBondContact CB-OE2 3.49Å; N52-E295 PolarHBondContact N-OE1 3.26Å; E295-R297 IonicContact OE2-CZ 3.75Å; E295-R297 IonicContact OE2-NH1 3.05Å; E295-R297 PolarHBondContact OE2-NH1 3.17Å; E295-R297 IonicContact OE2-NH2 3.19Å; E295-R297 PolarHBondContact OE2-NH2 2.98Å; E295-V309 HydrophobicContact CB-CB 4.46Å; E295-V309 PolarHBondContact N-O 3.05Å; E295-V309 PolarHBondContact O-N 3.42Å; E295-Y311 HydrophobicContact CB-CE2 4.44Å; E295-Y311 HydrophobicContact CG-CE2 4.01Å; E295-Y311 WeakPolarHBondContact OE2-CE2 3.35Å; E295-Y311 PolarHBondContact OE2-OH 3.12Å
296	I	96.7	Very high	95.8	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.1	177.1	-59.9	-175.2	0	0	0	108.4	Y249 V259 Y260 C298 C306 V308	Y249-I296 HydrophobicContact CD1-CD1 4.23Å; Y249-I296 HydrophobicContact CD2-CD1 3.68Å; Y249-I296 HydrophobicContact CD2-CG1 3.89Å; Y249-I296 HydrophobicContact CE1-CD1 4.08Å; Y249-I296 HydrophobicContact CE2-CD1 3.51Å; Y249-I296 HydrophobicContact CE2-CG1 3.63Å; Y249-I296 HydrophobicContact CG-CD1 4.04Å; V259-I296 HydrophobicContact CG1-CB 3.87Å; V259-I296 HydrophobicContact CG1-CD1 3.87Å; V259-I296 HydrophobicContact CG1-CG1 4.31Å; V259-I296 HydrophobicContact CG1-CG2 4.06Å; Y260-I296 WeakPolarHBondContact O-CG2 3.41Å; I296-C298 PolarHBondContact O-N 2.77Å; I296-C306 VanDerWaalsContact CG2-SG 3.57Å; I296-V308 HydrophobicContact CG1-CG1 4.04Å; I296-V308 HydrophobicContact CG2-CG1 4.32Å
297	R	96.3	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.119	C	C	.	.			trans	-82.2	52.7	-170	-64.3	-87.8	-175.3	-87	-3.7	112	G45 S46 E85 E295 G299 V300 C306 P307 V309 Y311	G45-R297 WeakPolarHBondContact O-CA 3.38Å; G45-R297 WeakPolarHBondContact O-CD 3.37Å; G45-R297 PolarHBondContact O-NH1 3.39Å; S46-R297 CarbonylContact O-C 3.5Å; S46-R297 VanDerWaalsContact O-CA 3.29Å; S46-R297 WeakPolarHBondContact O-CA 3.33Å; E85-R297 IonicContact OE1-CZ 2.98Å; E85-R297 IonicContact OE1-NE 3.95Å; E85-R297 IonicContact OE1-NH2 2.75Å; E85-R297 PolarHBondContact OE1-NH2 3.42Å; E85-R297 IonicContact OE2-CZ 2.69Å; E85-R297 IonicContact OE2-NE 3.6Å; E85-R297 PolarHBondContact OE2-NE 3.07Å; E85-R297 IonicContact OE2-NH2 2.72Å; E295-R297 IonicContact OE2-CZ 3.75Å; E295-R297 IonicContact OE2-NH1 3.05Å; E295-R297 PolarHBondContact OE2-NH1 3.17Å; E295-R297 IonicContact OE2-NH2 3.19Å; E295-R297 PolarHBondContact OE2-NH2 2.98Å; R297-G299 PolarHBondContact O-N 3.28Å; R297-V300 HydrophobicContact CB-CB 4.21Å; R297-V300 HydrophobicContact CB-CG2 3.83Å; R297-V300 WeakPolarHBondContact O-CB 3.49Å; R297-V300 PolarHBondContact O-N 3Å; R297-C306 VanDerWaalsContact O-CB 3.31Å; R297-C306 WeakPolarHBondContact O-CB 3.49Å; R297-P307 HydrophobicContact CB-CB 4.07Å; R297-P307 HydrophobicContact CB-CG 4.21Å; R297-P307 WeakPolarHBondContact CB-O 3.33Å; R297-P307 HydrophobicContact CG-CB 4.23Å; R297-P307 PolarHBondContact N-O 3.46Å; R297-V309 HydrophobicContact CG-CG2 3.69Å; R297-Y311 PolarHBondContact NH2-OH 3.36Å
298	C	94.4	Very high	95.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.1	-170	67.8	0	0	0	0	115.3	W39 C40 S46 W263 R270 I296	W39-C298 HydrophobicContact CH2-CB 3.97Å; W39-C298 HydrophobicContact CZ3-CB 4.18Å; C40-C298 PolarHBondContact SG-O 2.79Å; C40-C298 VanDerWaalsContact SG-O 3.39Å; S46-C298 WeakPolarHBondContact CB-SG 3.3Å; S46-C298 PolarHBondContact O-N 3.04Å; W263-C298 HydrophobicContact CH2-CB 3.76Å; W263-C298 HydrophobicContact CZ2-CB 4.15Å; R270-C298 PolarHBondContact NH2-O 3.49Å; I296-C298 PolarHBondContact O-N 2.77Å
299	G	92.9	Very high	96	Very high	26 Å²	26	15.3 Å²	15.3	27%	0.268	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.3	169.1	0	0	0	0	0	114.9	S46 R297 T301	S46-G299 WeakPolarHBondContact O-CA 3.43Å; S46-G299 PolarHBondContact O-N 2.64Å; R297-G299 PolarHBondContact O-N 3.28Å; G299-T301 PolarHBondContact O-N 2.67Å
300	V	93.7	Very high	96.1	Very high	16 Å²	16	10.4 Å²	10.4	10%	0.097	7%	0.065	C	C	.	.			trans	-83.2	113.2	-178.8	177.2	0	0	0	0	110.5	Y81 R270 R297 P307	Y81-V300 HydrophobicContact CD1-CG1 4.18Å; Y81-V300 HydrophobicContact CD2-CG1 3.71Å; Y81-V300 HydrophobicContact CD2-CG2 3.96Å; Y81-V300 HydrophobicContact CE1-CG1 4.31Å; Y81-V300 HydrophobicContact CE2-CB 4.29Å; Y81-V300 HydrophobicContact CE2-CG1 3.84Å; Y81-V300 HydrophobicContact CE2-CG2 3.53Å; Y81-V300 HydrophobicContact CG-CG1 3.89Å; R270-V300 PolarHBondContact NH2-O 3.34Å; R297-V300 HydrophobicContact CB-CB 4.21Å; R297-V300 HydrophobicContact CB-CG2 3.83Å; R297-V300 WeakPolarHBondContact O-CB 3.49Å; R297-V300 PolarHBondContact O-N 3Å; V300-P307 HydrophobicContact CB-CG 4.24Å; V300-P307 HydrophobicContact CG1-CG 3.91Å
301	T	92.1	Very high	96.2	Very high	49 Å²	49	7.6 Å²	7.6	30%	0.301	5%	0.049	S	C	.	.			trans	-94	-172.4	-179.4	62.3	0	0	0	0	112	L37 G299	L37-T301 HydrophobicContact CD1-CG2 3.88Å; G299-T301 PolarHBondContact O-N 2.67Å
302	G	92.1	Very high	96.1	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.021	5%	0.048	C	C	.	.	S	Bend	trans	108.2	-18.2	179.5	0	0	0	0	0	114.5	N76	N76-G302 PolarHBondContact ND2-O 3.03Å
303	S	95.5	Very high	96.1	Very high	2 Å²	2	10 Å²	10	1%	0.014	6%	0.059	C	C	.	.	S	Bend	trans	-134.4	163.4	168.4	177	0	0	0	0	109.1	N66 Y265 R270 H305	N66-S303 WeakPolarHBondContact O-CB 3.39Å; N66-S303 PolarHBondContact O-OG 3.48Å; Y265-S303 WeakPolarHBondContact OH-CA 3.02Å; R270-S303 PolarHBondContact NH1-O 2.78Å; R270-S303 VanDerWaalsContact NH1-O 3.08Å; S303-H305 CarbonylContact C-O 3.57Å; S303-H305 WeakPolarHBondContact CB-O 3.45Å; S303-H305 PolarHBondContact OG-N 2.68Å
304	D	96.3	Very high	95.7	Very high	18 Å²	18	13.1 Å²	13.1	10%	0.096	8%	0.075	C	C	.	.	S	Bend	trans	-71.8	-16.8	167.5	41.9	-2.6	0	0	0	111.8	N68 F262 W263 Y265	N68-D304 WeakPolarHBondContact CB-OD1 3.29Å; N68-D304 PolarHBondContact ND2-OD1 3.34Å; N68-D304 PolarHBondContact ND2-OD2 3.25Å; F262-D304 WeakPolarHBondContact CA-O 3.33Å; F262-D304 HydrophobicContact CD2-CB 4.17Å; F262-D304 HydrophobicContact CE2-CB 4.01Å; W263-D304 PolarHBondContact N-O 3.17Å; W263-D304 WeakPolarHBondContact O-CB 3.17Å; Y265-D304 HydrophobicContact CD1-CB 4.3Å; Y265-D304 HydrophobicContact CD2-CB 3.65Å; Y265-D304 WeakPolarHBondContact CD2-OD2 3.38Å; Y265-D304 HydrophobicContact CE1-CB 4.14Å; Y265-D304 HydrophobicContact CE2-CB 3.47Å; Y265-D304 VanDerWaalsContact CE2-CB 3.47Å; Y265-D304 VanDerWaalsContact CE2-CG 3.47Å; Y265-D304 HydrophobicContact CG-CB 4.08Å; Y265-D304 PolarHBondContact OH-N 3.12Å; Y265-D304 VanDerWaalsContact OH-N 3.1Å
305	H	98	Very high	95.6	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.032	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-94.2	155.6	162.3	-61.7	-117.9	0	0	0	112	W65 N66 D206 S261 F262 D279 S303	W65-H305 PolarHBondContact NE1-O 3.09Å; N66-H305 HydrophobicContact CB-CB 3.95Å; N66-H305 PolarHBondContact ND2-NE2 3.06Å; N66-H305 WeakPolarHBondContact O-CB 3.35Å; D206-H305 IonicContact OD2-CE1 3.17Å; D206-H305 IonicContact OD2-NE2 2.68Å; S261-H305 CarbonylContact O-C 3.56Å; S261-H305 WeakPolarHBondContact O-CA 3.34Å; F262-H305 AromaticContact CD2-CD2 3.56Å; F262-H305 AromaticContact CD2-CE1 3.86Å; F262-H305 AromaticContact CD2-NE2 3.37Å; F262-H305 WeakPolarHBondContact CD2-NE2 3.42Å; D279-H305 IonicContact OD1-ND1 2.77Å; D279-H305 PolarHBondContact OD1-ND1 3.38Å; D279-H305 IonicContact OD2-CE1 3.94Å; D279-H305 IonicContact OD2-CG 2.65Å; D279-H305 IonicContact OD2-ND1 3.54Å; D279-H305 PolarHBondContact OD2-ND1 2.76Å; S303-H305 CarbonylContact C-O 3.57Å; S303-H305 WeakPolarHBondContact CB-O 3.45Å; S303-H305 PolarHBondContact OG-N 2.68Å
306	C	97	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.			trans	-107.9	158.5	165.1	72.9	0	0	0	0	111.7	W65 S261 W263 I296 R297	W65-C306 VanDerWaalsContact CD1-C 3.44Å; S261-C306 PolarHBondContact O-N 3.38Å; W263-C306 HydrophobicContact CH2-CB 4.32Å; W263-C306 HydrophobicContact CZ3-CB 3.92Å; I296-C306 VanDerWaalsContact CG2-SG 3.57Å; R297-C306 VanDerWaalsContact O-CB 3.31Å; R297-C306 WeakPolarHBondContact O-CB 3.49Å
307	P	98.2	Very high	95.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.			trans	-62.2	146.4	173.4	-17.2	28.2	0	0	0	112.9	V63 S64 W65 Y81 R297 V300	V63-P307 HydrophobicContact CG1-CB 3.94Å; S64-P307 CarbonylContact O-C 3.55Å; S64-P307 VanDerWaalsContact O-CA 3.31Å; S64-P307 WeakPolarHBondContact O-CA 3.25Å; W65-P307 HydrophobicContact CB-CB 4.17Å; W65-P307 HydrophobicContact CB-CG 4.26Å; W65-P307 HydrophobicContact CD2-CG 3.78Å; W65-P307 HydrophobicContact CE3-CG 4.25Å; W65-P307 HydrophobicContact CG-CB 4.2Å; W65-P307 HydrophobicContact CG-CG 3.8Å; Y81-P307 HydrophobicContact CD1-CG 4.22Å; Y81-P307 HydrophobicContact CE1-CB 3.98Å; Y81-P307 HydrophobicContact CE1-CG 3.35Å; Y81-P307 WeakPolarHBondContact OH-CB 3.46Å; Y81-P307 WeakPolarHBondContact OH-CG 3.31Å; R297-P307 HydrophobicContact CB-CB 4.07Å; R297-P307 HydrophobicContact CB-CG 4.21Å; R297-P307 WeakPolarHBondContact CB-O 3.33Å; R297-P307 HydrophobicContact CG-CB 4.23Å; R297-P307 PolarHBondContact N-O 3.46Å; V300-P307 HydrophobicContact CB-CG 4.24Å; V300-P307 HydrophobicContact CG1-CG 3.91Å
308	V	98.4	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.8	164.6	-62	0	0	0	0	109.1	V63 S64 D279 F281 I296	V63-V308 WeakPolarHBondContact CA-O 3.44Å; S64-V308 PolarHBondContact N-O 3.22Å; S64-V308 PolarHBondContact O-N 3.05Å; D279-V308 HydrophobicContact CB-CG1 3.85Å; D279-V308 HydrophobicContact CB-CG2 4.16Å; F281-V308 HydrophobicContact CD2-CB 4.41Å; F281-V308 HydrophobicContact CD2-CG2 3.92Å; F281-V308 HydrophobicContact CE2-CB 4.31Å; F281-V308 HydrophobicContact CE2-CG2 3.74Å; I296-V308 HydrophobicContact CG1-CG1 4.04Å; I296-V308 HydrophobicContact CG2-CG1 4.32Å
309	V	98.5	Very high	95.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.7	-170.5	-174.5	0	0	0	0	110.4	K61 V63 Q294 E295 R297 Y311	K61-V309 HydrophobicContact CD-CG1 3.65Å; K61-V309 HydrophobicContact CG-CG1 3.72Å; V63-V309 HydrophobicContact CG1-CG2 4.37Å; V63-V309 HydrophobicContact CG2-CB 4.45Å; V63-V309 HydrophobicContact CG2-CG1 4.09Å; V63-V309 HydrophobicContact CG2-CG2 4Å; Q294-V309 CarbonylContact C-O 3.44Å; Q294-V309 VanDerWaalsContact CA-O 3.25Å; Q294-V309 WeakPolarHBondContact CA-O 3.35Å; Q294-V309 VanDerWaalsContact CG-O 3.23Å; Q294-V309 WeakPolarHBondContact CG-O 3.41Å; E295-V309 HydrophobicContact CB-CB 4.46Å; E295-V309 PolarHBondContact N-O 3.05Å; E295-V309 PolarHBondContact O-N 3.42Å; R297-V309 HydrophobicContact CG-CG2 3.69Å; V309-Y311 HydrophobicContact CB-CE2 4.32Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.58Å
310	L	98.2	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.9	175.2	-169.4	71.8	0	0	0	109.9	K61 I62 I202 T248 F281 V283 I291 Q294 L312	K61-L310 WeakPolarHBondContact CA-O 3.47Å; I62-L310 PolarHBondContact N-O 2.9Å; I62-L310 PolarHBondContact O-N 3.31Å; I202-L310 HydrophobicContact CD1-CD2 4.44Å; I202-L310 HydrophobicContact CG2-CD2 3.99Å; T248-L310 HydrophobicContact CG2-CD1 4.22Å; F281-L310 HydrophobicContact CB-CD1 4.04Å; F281-L310 HydrophobicContact CB-CD2 4.32Å; F281-L310 HydrophobicContact CD1-CB 3.79Å; F281-L310 HydrophobicContact CD1-CD2 3.64Å; F281-L310 HydrophobicContact CD1-CG 4.22Å; F281-L310 HydrophobicContact CD2-CB 3.73Å; F281-L310 HydrophobicContact CE1-CB 3.75Å; F281-L310 HydrophobicContact CE1-CD2 4.09Å; F281-L310 HydrophobicContact CE2-CB 3.69Å; F281-L310 HydrophobicContact CG-CB 3.76Å; F281-L310 HydrophobicContact CG-CD1 4.18Å; F281-L310 HydrophobicContact CG-CD2 4.05Å; F281-L310 HydrophobicContact CG-CG 4.23Å; F281-L310 HydrophobicContact CZ-CB 3.7Å; V283-L310 HydrophobicContact CG1-CD2 4.24Å; I291-L310 HydrophobicContact CD1-CD2 4.18Å; I291-L310 HydrophobicContact CG2-CD1 3.51Å; I291-L310 HydrophobicContact CG2-CG 4.25Å; Q294-L310 HydrophobicContact CB-CD1 4.23Å; Q294-L310 HydrophobicContact CG-CD1 4.41Å; L310-L312 HydrophobicContact CD2-CD2 4.2Å; L310-L312 HydrophobicContact CG-CD2 4.23Å
311	Y	98	Very high	95.9	Very high	6 Å²	6	15.9 Å²	15.9	2%	0.024	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.1	173.4	-67.1	-89.7	0	0	0	109.3	P53 W58 K61 S292 D293 E295 R297 V309	P53-Y311 HydrophobicContact CB-CD1 4.26Å; P53-Y311 HydrophobicContact CB-CD2 4.09Å; P53-Y311 HydrophobicContact CB-CE1 4.44Å; P53-Y311 HydrophobicContact CB-CE2 4.33Å; P53-Y311 HydrophobicContact CB-CG 4.05Å; P53-Y311 HydrophobicContact CG-CD1 4.31Å; P53-Y311 HydrophobicContact CG-CE1 4.18Å; W58-Y311 HydrophobicContact CB-CD1 4.42Å; W58-Y311 AromaticContact CD2-CD1 3.47Å; W58-Y311 HydrophobicContact CD2-CD1 3.47Å; W58-Y311 VanDerWaalsContact CD2-CD1 3.47Å; W58-Y311 HydrophobicContact CD2-CE1 4.02Å; W58-Y311 AromaticContact CE2-CD1 3.7Å; W58-Y311 AromaticContact CE2-CE1 3.8Å; W58-Y311 AromaticContact CE3-CD1 3.76Å; W58-Y311 HydrophobicContact CE3-CD1 3.76Å; W58-Y311 HydrophobicContact CE3-CE1 4.25Å; W58-Y311 AromaticContact CG-CD1 3.76Å; W58-Y311 HydrophobicContact CG-CD1 3.76Å; W58-Y311 HydrophobicContact CG-CG 4.45Å; W58-Y311 HydrophobicContact CH2-CD1 4.45Å; W58-Y311 HydrophobicContact CH2-CE1 4.12Å; W58-Y311 HydrophobicContact CZ2-CD1 4.2Å; W58-Y311 AromaticContact CZ2-CE1 3.86Å; W58-Y311 HydrophobicContact CZ2-CE1 3.86Å; W58-Y311 HydrophobicContact CZ3-CD1 4.24Å; W58-Y311 HydrophobicContact CZ3-CE1 4.3Å; K61-Y311 HydrophobicContact CD-CD1 4.29Å; K61-Y311 HydrophobicContact CD-CE1 3.67Å; K61-Y311 HydrophobicContact CG-CD1 4.49Å; K61-Y311 HydrophobicContact CG-CE1 4.33Å; S292-Y311 PolarHBondContact N-O 3.46Å; D293-Y311 HydrophobicContact CB-CD2 4.24Å; D293-Y311 PolarHBondContact O-N 3.19Å; E295-Y311 HydrophobicContact CB-CE2 4.44Å; E295-Y311 HydrophobicContact CG-CE2 4.01Å; E295-Y311 WeakPolarHBondContact OE2-CE2 3.35Å; E295-Y311 PolarHBondContact OE2-OH 3.12Å; R297-Y311 PolarHBondContact NH2-OH 3.36Å; V309-Y311 HydrophobicContact CB-CE2 4.32Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.58Å
312	L	96.5	Very high	96.2	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160	179.4	59.1	164.7	0	0	0	113.2	N59 F60 I62 I202 N290 I291 L310 I314	N59-L312 PolarHBondContact N-O 2.73Å; N59-L312 VanDerWaalsContact N-O 3.09Å; N59-L312 PolarHBondContact OD1-O 3.18Å; F60-L312 HydrophobicContact CB-CG 4.25Å; F60-L312 HydrophobicContact CD1-CD1 4.39Å; F60-L312 HydrophobicContact CD1-CD2 3.96Å; F60-L312 HydrophobicContact CD1-CG 4.13Å; F60-L312 PolarHBondContact N-O 3.25Å; F60-L312 VanDerWaalsContact N-O 3.09Å; F60-L312 PolarHBondContact O-N 3.34Å; I62-L312 HydrophobicContact CD1-CD2 4.07Å; I62-L312 HydrophobicContact CG1-CD2 4.08Å; I202-L312 HydrophobicContact CD1-CD1 3.73Å; N290-L312 CarbonylContact O-C 3.52Å; N290-L312 VanDerWaalsContact O-CA 3.24Å; N290-L312 WeakPolarHBondContact O-CA 3.34Å; N290-L312 WeakPolarHBondContact O-CB 3.26Å; I291-L312 HydrophobicContact CD1-CB 3.9Å; I291-L312 HydrophobicContact CD1-CD1 4.4Å; L310-L312 HydrophobicContact CD2-CD2 4.2Å; L310-L312 HydrophobicContact CG-CD2 4.23Å; L312-I314 HydrophobicContact CD1-CG2 3.69Å; L312-I314 HydrophobicContact CG-CG2 4.18Å
313	Q	95.8	Very high	96.6	Very high	70 Å²	70	14.3 Å²	14.3	33%	0.327	7%	0.07	S	C	.	.			trans	-111.3	103.3	177	-176.5	52.7	74.3	0	0	109	K57 N59 N290	K57-Q313 WeakPolarHBondContact O-CB 3.39Å; K57-Q313 PolarHBondContact O-OE1 3.07Å; N59-Q313 PolarHBondContact ND2-NE2 3.32Å; N59-Q313 WeakPolarHBondContact OD1-CA 3.39Å; N59-Q313 PolarHBondContact OD1-NE2 3.23Å; N290-Q313 WeakPolarHBondContact CB-O 3.5Å; N290-Q313 PolarHBondContact ND2-O 3.36Å; N290-Q313 PolarHBondContact O-N 3.27Å
314	I	88.4	Confident	96.7	Very high	65 Å²	65	15.4 Å²	15.4	33%	0.333	8%	0.075	S	C	.	.			trans	-114.5	0	176.6	65.1	174.1	0	0	0	112.2	N59 F60 K159 F160 L312	N59-I314 PolarHBondContact ND2-O 3.43Å; N59-I314 PolarHBondContact OD1-N 3.16Å; F60-I314 HydrophobicContact CB-CD1 3.86Å; F60-I314 HydrophobicContact CB-CG1 3.82Å; F60-I314 HydrophobicContact CD1-CD1 3.82Å; F60-I314 HydrophobicContact CD2-CD1 3.6Å; F60-I314 HydrophobicContact CD2-CG1 4.34Å; F60-I314 HydrophobicContact CE1-CD1 4.21Å; F60-I314 HydrophobicContact CE2-CD1 3.99Å; F60-I314 HydrophobicContact CG-CD1 3.49Å; F60-I314 VanDerWaalsContact CG-CD1 3.49Å; F60-I314 HydrophobicContact CG-CG1 4.05Å; F60-I314 HydrophobicContact CZ-CD1 4.28Å; K159-I314 HydrophobicContact CD-CB 4.4Å; K159-I314 PolarHBondContact NZ-OXT 2.79Å; F160-I314 HydrophobicContact CE1-CD1 4.02Å; F160-I314 HydrophobicContact CE1-CG2 4.38Å; L312-I314 HydrophobicContact CD1-CG2 3.69Å; L312-I314 HydrophobicContact CG-CG2 4.18Å

Retrieved 314 of 314 residues in 66.1 ms (Link to these results)

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