X6R5A3_HUMAN Loading...

Tyrosyl-DNA phosphodiesterase 2

AlphaFold DB , UniProt , Accession X6R5A3, Species HUMAN (Homo sapiens, Human), Gene TDP2, Length 304 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.1	Very low	32.3	Very low	254 Å²	254	134.9 Å²	134.9	100%	1.251	69%	0.692	S	S	*	*				0	101.9	0	-83	172	173.5	0	0	107.9
2	A	23.6	Very low	32.8	Very low	84 Å²	84	126.2 Å²	126.2	69%	0.694	65%	0.651	S	S	*	*			trans	-131.8	106.3	175.5	0	0	0	0	0	107.8	W4	A2-W4 PolarHBondContact O-N 2.8Å
3	T	27.7	Very low	33	Very low	142 Å²	142	126.1 Å²	126.1	87%	0.871	65%	0.651	S	S	*	*			trans	-79.4	101.9	176.9	42.6	0	0	0	0	109.7
4	W	25	Very low	33.3	Very low	233 Å²	233	129.9 Å²	129.9	88%	0.883	66%	0.661	S	S	*	*			trans	-98	88.2	166.3	-73	76.7	0	0	0	109	A2 S6	A2-W4 PolarHBondContact O-N 2.8Å; W4-S6 PolarHBondContact O-N 3.15Å
5	K	31.4	Very low	33.9	Very low	203 Å²	203	127.1 Å²	127.1	88%	0.883	65%	0.647	S	S	*	*			trans	-76.2	96.8	161.4	-76.7	-174.3	177.1	-178.2	0	107.1
6	S	34.7	Very low	34.2	Very low	59 Å²	59	126.9 Å²	126.9	41%	0.413	65%	0.647	S	S	.	*			trans	-65.7	129.1	170.8	-86.1	0	0	0	0	110.1	W4 C8 F9	W4-S6 PolarHBondContact O-N 3.15Å; S6-C8 PolarHBondContact O-N 3.06Å; S6-C8 VanDerWaalsContact O-N 3.1Å; S6-F9 PolarHBondContact O-N 3.49Å
7	P	34.4	Very low	33.7	Very low	78 Å²	78	123.1 Å²	123.1	51%	0.506	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-58.7	-21.3	179.9	-24.9	33.6	0	0	0	115.1	F9 L10 A251	P7-F9 PolarHBondContact O-N 3.03Å; P7-F9 VanDerWaalsContact O-N 3.1Å; P7-L10 PolarHBondContact O-N 3.44Å; P7-A251 HydrophobicContact CG-CB 4.27Å
8	C	36.3	Very low	33.6	Very low	70 Å²	70	123.2 Å²	123.2	47%	0.473	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-66	-8.5	177	-67.2	0	0	0	0	115	S6	S6-C8 PolarHBondContact O-N 3.06Å; S6-C8 VanDerWaalsContact O-N 3.1Å
9	F	35.3	Very low	33.8	Very low	135 Å²	135	129.2 Å²	129.2	59%	0.592	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-82.1	-21.3	178.8	-109.4	-90.5	0	0	0	113.6	S6 P7	S6-F9 PolarHBondContact O-N 3.49Å; P7-F9 PolarHBondContact O-N 3.03Å; P7-F9 VanDerWaalsContact O-N 3.1Å
10	L	35.2	Very low	33.8	Very low	118 Å²	118	131.9 Å²	131.9	62%	0.618	68%	0.682	S	S	*	*	S	Bend	trans	-81	-23.9	-167.4	-123.6	76.1	0	0	0	114.1	P7 C12 L13	P7-L10 PolarHBondContact O-N 3.44Å; L10-C12 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.11Å
11	Y	41.7	Very low	33.6	Very low	108 Å²	108	132 Å²	132	42%	0.424	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-30.2	-172.2	-145.6	-102.3	0	0	0	113.4	L247	Y11-L247 HydrophobicContact CE1-CD2 3.83Å; Y11-L247 HydrophobicContact CE2-CB 4.49Å; Y11-L247 HydrophobicContact CE2-CD2 4.01Å; Y11-L247 VanDerWaalsContact CZ-CD2 3.48Å; Y11-L247 WeakPolarHBondContact OH-CD2 3.25Å
12	C	37.8	Very low	33.9	Very low	30 Å²	30	123.2 Å²	123.2	20%	0.203	66%	0.664	C	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-13.8	178.3	-130.7	0	0	0	0	114.1	L10 F14 T172	L10-C12 PolarHBondContact O-N 2.92Å; C12-F14 VanDerWaalsContact C-N 3.29Å; C12-T172 HydrophobicContact CB-CG2 3.39Å; C12-T172 WeakPolarHBondContact SG-CG2 3.36Å
13	L	35.7	Very low	34.2	Very low	125 Å²	125	127.8 Å²	127.8	65%	0.654	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-23.5	173	-109.8	99.8	0	0	0	112.1	L10 I15	L10-L13 PolarHBondContact O-N 3.11Å; L13-I15 VanDerWaalsContact C-N 3.34Å
14	F	36.8	Very low	34.6	Very low	180 Å²	180	129.1 Å²	129.1	79%	0.789	67%	0.673	S	S	*	*	S	Bend	trans	-81	-11.9	175.7	-84.3	-79.1	0	0	0	113.9	C12	C12-F14 VanDerWaalsContact C-N 3.29Å
15	I	43	Very low	35.4	Very low	88 Å²	88	124.9 Å²	124.9	45%	0.451	67%	0.667	S	S	.	*	S	Bend	trans	-90.3	-13.1	176.6	-59.9	-179.2	0	0	0	111.9	L13 L66	L13-I15 VanDerWaalsContact C-N 3.34Å; I15-L66 HydrophobicContact CD1-CD1 4.41Å
16	L	38.3	Very low	36.5	Very low	124 Å²	124	120.3 Å²	120.3	65%	0.649	66%	0.661	S	S	*	*	S	Bend	trans	-129.4	72.8	-179.8	-72.1	164.5	0	0	0	111.2
17	G	25.8	Very low	38	Very low	61 Å²	61	120.2 Å²	120.2	63%	0.629	66%	0.658	S	S	*	*			trans	-127.8	155.7	165.1	0	0	0	0	0	110.6
18	P	32.3	Very low	40	Very low	125 Å²	125	120.1 Å²	120.1	81%	0.812	65%	0.653	S	S	*	*			trans	-70.9	148.1	-144.9	30.8	-35.2	0	0	0	114.4	L20	P18-L20 PolarHBondContact O-N 3.39Å
19	R	37.3	Very low	42.1	Very low	238 Å²	238	117.1 Å²	117.1	90%	0.898	63%	0.632	S	S	*	*			trans	-0.6	105.6	167.4	-73.7	-179.3	178	-169.6	-1.9	114.5	T21	R19-T21 PolarHBondContact O-N 2.85Å
20	L	32.8	Very low	43.7	Very low	182 Å²	182	112.9 Å²	112.9	95%	0.953	62%	0.618	S	S	*	*			trans	-66	97.7	164.3	-74.9	166.7	0	0	0	109.1	P18 G22	P18-L20 PolarHBondContact O-N 3.39Å; L20-G22 PolarHBondContact O-N 3.1Å
21	T	31.5	Very low	44.8	Very low	134 Å²	134	112.9 Å²	112.9	82%	0.822	62%	0.618	S	S	*	*			trans	-76.8	107.2	157	48.2	0	0	0	0	108.3	R19	R19-T21 PolarHBondContact O-N 2.85Å
22	G	35.3	Very low	45.5	Very low	70 Å²	70	113.5 Å²	113.5	72%	0.722	63%	0.625	S	S	*	*	S	Bend	trans	66.3	91.3	150.9	0	0	0	0	0	118.7	L20	L20-G22 PolarHBondContact O-N 3.1Å
23	Q	29.8	Very low	45.8	Very low	180 Å²	180	120.9 Å²	120.9	84%	0.841	66%	0.657	S	S	*	*			trans	-165.3	108.9	131.9	-109.3	173.9	-2.9	0	0	108.9	N25	Q23-N25 VanDerWaalsContact C-N 3.34Å; Q23-N25 PolarHBondContact O-N 2.83Å
24	N	36.7	Very low	46	Very low	171 Å²	171	121.1 Å²	121.1	91%	0.914	66%	0.663	S	S	*	*			trans	-71.4	85.4	174.4	-96.4	-5.7	0	0	0	109.8	S26	N24-S26 PolarHBondContact O-N 2.78Å
25	N	41.2	Very low	45.9	Very low	143 Å²	143	119 Å²	119	77%	0.765	67%	0.665	S	S	*	*			trans	-88.6	85	158.4	-81.9	-4.4	0	0	0	107.9	Q23 V27	Q23-N25 VanDerWaalsContact C-N 3.34Å; Q23-N25 PolarHBondContact O-N 2.83Å; N25-V27 PolarHBondContact O-N 2.68Å; N25-V27 VanDerWaalsContact O-N 3.12Å
26	S	54.3	Low	45.7	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	68%	0.684	S	S	*	*			trans	-65.1	108.8	171.9	179.6	0	0	0	0	108.7	N24 D28	N24-S26 PolarHBondContact O-N 2.78Å; S26-D28 PolarHBondContact O-N 2.84Å
27	V	67.7	Low	45.6	Very low	56 Å²	56	121.2 Å²	121.2	34%	0.339	69%	0.686	S	S	.	*			trans	-69.8	110	172.3	179.9	0	0	0	0	107.7	N25 L29 L71 P98	N25-V27 PolarHBondContact O-N 2.68Å; N25-V27 VanDerWaalsContact O-N 3.12Å; V27-L29 HydrophobicContact CG1-CD2 3.65Å; V27-L29 HydrophobicContact CG1-CG 4.37Å; V27-L71 HydrophobicContact CG1-CD2 4.37Å; V27-P98 WeakPolarHBondContact O-CB 3.45Å
28	D	75.1	Confident	46.3	Very low	77 Å²	77	125.3 Å²	125.3	41%	0.412	70%	0.699	S	S	.	*			trans	-92.3	104.9	175.8	-168.8	-14.6	0	0	0	109.9	S26 T30 N31	S26-D28 PolarHBondContact O-N 2.84Å; D28-T30 PolarHBondContact O-N 2.79Å; D28-T30 WeakPolarHBondContact OD1-CA 3.43Å; D28-T30 WeakPolarHBondContact OD1-CB 2.82Å; D28-T30 PolarHBondContact OD1-N 2.86Å; D28-T30 PolarHBondContact OD1-OG1 3.45Å; D28-N31 PolarHBondContact OD2-ND2 3.27Å; D28-N31 PolarHBondContact OD2-OD1 2.81Å
29	L	81.1	Confident	46.4	Very low	6 Å²	6	125.5 Å²	125.5	3%	0.031	70%	0.698	C	S	.	*	S	Bend	trans	-80.8	-1.8	175.8	-56.3	-175.8	0	0	0	112.7	V27 L71 A75 P98 Y99 Y102	V27-L29 HydrophobicContact CG1-CD2 3.65Å; V27-L29 HydrophobicContact CG1-CG 4.37Å; L29-L71 HydrophobicContact CD1-CD2 4.29Å; L29-L71 HydrophobicContact CD1-CG 4.29Å; L29-L71 HydrophobicContact CD2-CB 4.29Å; L29-L71 HydrophobicContact CD2-CD2 4.05Å; L29-L71 HydrophobicContact CD2-CG 3.95Å; L29-A75 HydrophobicContact CD1-CB 4.37Å; L29-P98 HydrophobicContact CD1-CB 3.97Å; L29-P98 WeakPolarHBondContact CD1-O 3.39Å; L29-P98 HydrophobicContact CG-CB 3.94Å; L29-Y99 HydrophobicContact CD1-CG 4.49Å; L29-Y102 HydrophobicContact CB-CD2 4.01Å; L29-Y102 HydrophobicContact CB-CG 4.28Å; L29-Y102 WeakPolarHBondContact O-CD2 3.35Å; L29-Y102 WeakPolarHBondContact O-CE2 3.29Å
30	T	69.6	Low	46.3	Very low	47 Å²	47	119 Å²	119	29%	0.288	69%	0.69	S	S	.	*	S	Bend	trans	-100.6	-12	-171.5	73	0	0	0	0	114.3	D28 E32 K105	D28-T30 PolarHBondContact O-N 2.79Å; D28-T30 WeakPolarHBondContact OD1-CA 3.43Å; D28-T30 WeakPolarHBondContact OD1-CB 2.82Å; D28-T30 PolarHBondContact OD1-N 2.86Å; D28-T30 PolarHBondContact OD1-OG1 3.45Å; T30-E32 PolarHBondContact O-N 3.34Å; T30-K105 PolarHBondContact O-NZ 3.21Å
31	N	56.3	Low	46.5	Very low	118 Å²	118	120.6 Å²	120.6	63%	0.631	69%	0.689	S	S	*	*			trans	-92	74.1	178.8	-69.9	-19.6	0	0	0	112.3	D28	D28-N31 PolarHBondContact OD2-ND2 3.27Å; D28-N31 PolarHBondContact OD2-OD1 2.81Å
32	E	57.6	Low	46.7	Very low	120 Å²	120	121.6 Å²	121.6	56%	0.561	69%	0.687	S	S	*	*			trans	-137.9	128.7	149.7	-78.4	-166.2	176.3	0	0	109.7	T30 R76	T30-E32 PolarHBondContact O-N 3.34Å; E32-R76 IonicContact OE2-CZ 3.81Å; E32-R76 IonicContact OE2-NH1 3.59Å; E32-R76 IonicContact OE2-NH2 3.86Å; E32-R76 PolarHBondContact OE2-NH2 3.44Å
33	E	44.5	Very low	46.6	Very low	186 Å²	186	123 Å²	123	87%	0.869	69%	0.686	S	S	*	*			trans	-64.6	138.8	176.2	-69	179	157.2	0	0	110.7	T35	E33-T35 PolarHBondContact O-N 3.13Å; E33-T35 VanDerWaalsContact O-N 3.13Å
34	T	40	Very low	46.8	Very low	129 Å²	129	120.3 Å²	120.3	79%	0.791	69%	0.685	S	S	*	*			trans	-61.3	105.8	168.4	39.8	0	0	0	0	109.9	D36	T34-D36 PolarHBondContact O-N 2.94Å
35	T	34.6	Very low	46.6	Very low	136 Å²	136	117 Å²	117	83%	0.834	68%	0.675	S	S	*	*			trans	-78.8	98.4	157	34.9	0	0	0	0	107.7	E33 S37	E33-T35 PolarHBondContact O-N 3.13Å; E33-T35 VanDerWaalsContact O-N 3.13Å; T35-S37 PolarHBondContact O-N 2.99Å
36	D	37.7	Very low	46.4	Very low	158 Å²	158	119.3 Å²	119.3	85%	0.845	68%	0.681	S	S	*	*			trans	-58	114.8	172.1	-115	-14.8	0	0	0	109.1	T34	T34-D36 PolarHBondContact O-N 2.94Å
37	S	36.4	Very low	45.3	Very low	100 Å²	100	120.1 Å²	120.1	70%	0.699	68%	0.677	S	S	*	*			trans	-100	117.6	164.7	46.5	0	0	0	0	107.9	T35 T39	T35-S37 PolarHBondContact O-N 2.99Å; S37-T39 PolarHBondContact O-N 3.43Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact O-OG1 2.7Å
38	T	40.5	Very low	43.9	Very low	147 Å²	147	123.7 Å²	123.7	90%	0.902	70%	0.699	S	S	*	*			trans	-55.4	111.1	-172.1	-38.5	0	0	0	0	110.9
39	T	34.1	Very low	42.4	Very low	129 Å²	129	127.4 Å²	127.4	79%	0.791	71%	0.714	S	S	*	*			trans	-111.5	117.8	168.8	-3.2	0	0	0	0	109.4	S37	S37-T39 PolarHBondContact O-N 3.43Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact O-OG1 2.7Å
40	S	34.7	Very low	40.7	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	76%	0.755	S	S	*	*			trans	-50.6	133.3	173.3	31.6	0	0	0	0	111.9	I42	S40-I42 PolarHBondContact O-N 3.1Å
41	K	37.9	Very low	40.1	Very low	216 Å²	216	138.2 Å²	138.2	94%	0.939	76%	0.761	S	S	*	*			trans	-49.8	107.1	176.7	-69.9	177.3	177.7	178	0	111.2
42	I	36.2	Very low	40.5	Very low	154 Å²	154	137.4 Å²	137.4	79%	0.79	76%	0.756	S	S	*	*			trans	-109.8	118.9	155.9	-62	175.2	0	0	0	105.4	S40	S40-I42 PolarHBondContact O-N 3.1Å
43	S	32	Very low	41.2	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	74%	0.742	S	S	*	*			trans	-54	136.5	175.5	42.1	0	0	0	0	111	S45	S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 VanDerWaalsContact O-N 3.15Å
44	P	34.6	Very low	43	Very low	125 Å²	125	126 Å²	126	81%	0.812	72%	0.715	S	S	*	*			trans	-71.9	112.5	174.1	28.7	-28.9	0	0	0	108.4	E46	P44-E46 PolarHBondContact O-N 3.1Å
45	S	32.7	Very low	45.3	Very low	102 Å²	102	123.5 Å²	123.5	71%	0.713	70%	0.695	S	S	*	*			trans	-65.2	123.7	154.3	47.7	0	0	0	0	107.1	S43 D47	S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 VanDerWaalsContact O-N 3.15Å; S45-D47 PolarHBondContact O-N 3.35Å
46	E	36.8	Very low	48.2	Very low	191 Å²	191	117 Å²	117	89%	0.893	66%	0.655	S	S	*	*			trans	-60.4	84.8	165.6	-70	178.6	158.3	0	0	108.6	P44 T48	P44-E46 PolarHBondContact O-N 3.1Å; E46-T48 PolarHBondContact O-N 3.3Å
47	D	31.8	Very low	51	Low	124 Å²	124	110.1 Å²	110.1	66%	0.663	62%	0.619	S	S	*	*			trans	-97.6	83.1	168.8	-148	17.6	0	0	0	106.4	S45 Q49	S45-D47 PolarHBondContact O-N 3.35Å; D47-Q49 PolarHBondContact O-N 2.95Å
48	T	37.3	Very low	54	Low	132 Å²	132	105.3 Å²	105.3	81%	0.81	59%	0.586	S	S	*	*			trans	-64	80.3	166	-15.7	0	0	0	0	106.6	E46 Q50	E46-T48 PolarHBondContact O-N 3.3Å; T48-Q50 VanDerWaalsContact C-N 3.31Å; T48-Q50 PolarHBondContact O-N 3.41Å
49	Q	44.3	Very low	56.8	Low	155 Å²	155	98.3 Å²	98.3	72%	0.724	54%	0.543	S	S	*	.			trans	-59.6	102.5	168.3	-70.4	-172.3	3.6	0	0	106.1	D47 E51	D47-Q49 PolarHBondContact O-N 2.95Å; Q49-E51 VanDerWaalsContact C-N 3.32Å; Q49-E51 PolarHBondContact O-N 2.78Å
50	Q	44.3	Very low	59.9	Low	191 Å²	191	92.2 Å²	92.2	89%	0.893	51%	0.505	S	S	*	.			trans	-54.1	104.3	166.3	-102.1	178.3	-22.2	0	0	106	T48 N52	T48-Q50 VanDerWaalsContact C-N 3.31Å; T48-Q50 PolarHBondContact O-N 3.41Å; Q50-N52 PolarHBondContact O-N 2.8Å; Q50-N52 VanDerWaalsContact O-N 3.1Å
51	E	56.8	Low	62.9	Low	88 Å²	88	87.3 Å²	87.3	41%	0.411	47%	0.471	S	S	.	.			trans	-56.2	122.3	178.3	-70.7	-178.6	155.5	0	0	108	Q49 G53 K127 S129 R130	Q49-E51 VanDerWaalsContact C-N 3.32Å; Q49-E51 PolarHBondContact O-N 2.78Å; E51-G53 PolarHBondContact O-N 3.27Å; E51-K127 IonicContact OE1-NZ 2.99Å; E51-S129 PolarHBondContact OE1-OG 2.92Å; E51-S129 VanDerWaalsContact OE1-OG 3.1Å; E51-R130 WeakPolarHBondContact OE2-CD 3.46Å; E51-R130 WeakPolarHBondContact OE2-CG 3.39Å; E51-R130 IonicContact OE2-CZ 2.68Å; E51-R130 IonicContact OE2-NE 3.85Å; E51-R130 IonicContact OE2-NH1 3.98Å; E51-R130 PolarHBondContact OE2-NH1 2.83Å
52	N	65.3	Low	65.8	Low	101 Å²	101	77 Å²	77	54%	0.54	43%	0.427	S	S	.	.			trans	-61.5	108.1	-177.2	-173.2	11	0	0	0	109.5	Q50 S54 M55 R130	Q50-N52 PolarHBondContact O-N 2.8Å; Q50-N52 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact ND2-OG 3.08Å; N52-S54 VanDerWaalsContact ND2-OG 3.11Å; N52-S54 PolarHBondContact O-N 3.02Å; N52-S54 VanDerWaalsContact O-N 3.13Å; N52-S54 PolarHBondContact OD1-N 2.99Å; N52-S54 PolarHBondContact OD1-OG 2.73Å; N52-S54 VanDerWaalsContact OD1-OG 3.06Å; N52-M55 PolarHBondContact O-N 3.43Å; N52-R130 PolarHBondContact O-NH2 2.73Å
53	G	72.2	Confident	68.8	Low	25 Å²	25	69.7 Å²	69.7	26%	0.258	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.8	-177.1	0	0	0	0	0	113.7	E51	E51-G53 PolarHBondContact O-N 3.27Å
54	S	81.7	Confident	72	Confident	42 Å²	42	65.2 Å²	65.2	29%	0.294	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.6	-177.9	80	0	0	0	0	114.5	N52 D301 I302	N52-S54 PolarHBondContact ND2-OG 3.08Å; N52-S54 VanDerWaalsContact ND2-OG 3.11Å; N52-S54 PolarHBondContact O-N 3.02Å; N52-S54 VanDerWaalsContact O-N 3.13Å; N52-S54 PolarHBondContact OD1-N 2.99Å; N52-S54 PolarHBondContact OD1-OG 2.73Å; N52-S54 VanDerWaalsContact OD1-OG 3.06Å; S54-D301 CarbonylContact O-C 3.57Å; S54-D301 WeakPolarHBondContact O-CA 3.03Å; S54-I302 WeakPolarHBondContact CA-O 3.48Å; S54-I302 PolarHBondContact O-N 3.28Å
55	M	89.8	Confident	75	Confident	76 Å²	76	59.3 Å²	59.3	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.4	-178	-172.7	179.3	167.8	0	0	110.6	N52 R130 N299	N52-M55 PolarHBondContact O-N 3.43Å; M55-R130 PolarHBondContact O-NH2 3.27Å; M55-N299 HydrophobicContact CE-CB 3.89Å; M55-N299 VanDerWaalsContact CE-CG 3.44Å; M55-N299 WeakPolarHBondContact CE-OD1 3.38Å
56	F	94.1	Very high	78.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.4	175.1	179.9	-108	0	0	0	109.2	L58 D88 V89 V157 L162 I200 L300 I302	F56-L58 HydrophobicContact CE1-CD2 4.2Å; F56-D88 VanDerWaalsContact CA-OD2 3.28Å; F56-D88 WeakPolarHBondContact CA-OD2 3.37Å; F56-D88 HydrophobicContact CD2-CB 3.63Å; F56-D88 HydrophobicContact CE2-CB 3.54Å; F56-D88 HydrophobicContact CZ-CB 4.48Å; F56-V89 HydrophobicContact CE2-CG2 3.86Å; F56-V89 HydrophobicContact CZ-CB 4.31Å; F56-V89 HydrophobicContact CZ-CG2 3.61Å; F56-V157 HydrophobicContact CD2-CG1 3.96Å; F56-V157 HydrophobicContact CE2-CG1 4.28Å; F56-V157 HydrophobicContact CE2-CG2 4.01Å; F56-L162 HydrophobicContact CE1-CD2 4Å; F56-L162 HydrophobicContact CE2-CD2 4.32Å; F56-L162 HydrophobicContact CZ-CD2 3.79Å; F56-I200 HydrophobicContact CE1-CD1 3.81Å; F56-L300 HydrophobicContact CB-CB 4.4Å; F56-L300 HydrophobicContact CD1-CB 4.25Å; F56-L300 HydrophobicContact CD1-CD1 3.8Å; F56-L300 HydrophobicContact CD1-CG 4.41Å; F56-L300 HydrophobicContact CE1-CD1 4.3Å; F56-L300 PolarHBondContact N-O 3.47Å; F56-L300 WeakPolarHBondContact O-CA 3.47Å; F56-L300 PolarHBondContact O-N 3.23Å; F56-I302 HydrophobicContact CB-CD1 3.85Å; F56-I302 HydrophobicContact CB-CG1 3.76Å
57	S	97.7	Very high	80.9	Confident	13 Å²	13	48.8 Å²	48.8	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144	-174.3	56.9	0	0	0	0	110.7	P87 D88 V89 C298	S57-P87 VanDerWaalsContact OG-CA 3.3Å; S57-P87 WeakPolarHBondContact OG-CA 3.05Å; S57-D88 PolarHBondContact N-OD2 2.82Å; S57-D88 WeakPolarHBondContact O-CA 2.92Å; S57-D88 WeakPolarHBondContact O-CB 3.2Å; S57-D88 PolarHBondContact O-N 2.93Å; S57-D88 PolarHBondContact OG-N 2.91Å; S57-D88 PolarHBondContact OG-OD2 3Å; S57-D88 VanDerWaalsContact OG-OD2 3.08Å; S57-V89 PolarHBondContact O-N 2.95Å; S57-C298 WeakPolarHBondContact CA-O 3.34Å
58	L	98.7	Very high	84	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.5	175.9	65.9	88.8	0	0	0	112.2	F56 V89 F91 I200 A202 I260 C298 L300	F56-L58 HydrophobicContact CE1-CD2 4.2Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.49Å; L58-V89 HydrophobicContact CB-CB 4.2Å; L58-F91 HydrophobicContact CB-CD2 4.45Å; L58-F91 HydrophobicContact CB-CE2 3.94Å; L58-F91 HydrophobicContact CD1-CD2 4.21Å; L58-F91 HydrophobicContact CD1-CE2 3.99Å; L58-F91 HydrophobicContact CD2-CE2 4.09Å; L58-F91 HydrophobicContact CG-CE2 4.23Å; L58-I200 HydrophobicContact CD2-CD1 4.12Å; L58-I200 HydrophobicContact CD2-CG2 3.83Å; L58-A202 HydrophobicContact CD1-CB 4.44Å; L58-I260 HydrophobicContact CD1-CD1 3.9Å; L58-C298 HydrophobicContact CD1-CB 3.8Å; L58-C298 HydrophobicContact CG-CB 3.95Å; L58-C298 PolarHBondContact N-O 3.21Å; L58-C298 PolarHBondContact O-N 2.97Å; L58-L300 HydrophobicContact CD2-CD1 3.78Å; L58-L300 HydrophobicContact CG-CD1 4.17Å
59	I	98.9	Very high	86.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.2	168.5	-70.1	178.1	0	0	0	108.9	W61 L82 P87 V89 I90 F91 L279 L296 L297	I59-W61 HydrophobicContact CG2-CB 4.39Å; I59-L82 HydrophobicContact CD1-CD2 3.94Å; I59-L82 HydrophobicContact CG2-CD2 4.37Å; I59-P87 HydrophobicContact CB-CG 4.3Å; I59-P87 HydrophobicContact CD1-CB 4.32Å; I59-P87 HydrophobicContact CD1-CG 3.73Å; I59-P87 HydrophobicContact CG1-CB 4.07Å; I59-P87 HydrophobicContact CG1-CG 3.88Å; I59-V89 PolarHBondContact N-O 2.93Å; I59-I90 HydrophobicContact CB-CG2 4.35Å; I59-I90 HydrophobicContact CG2-CG2 4.37Å; I59-I90 CarbonylContact O-C 3.59Å; I59-I90 WeakPolarHBondContact O-CA 3.45Å; I59-F91 WeakPolarHBondContact O-CD2 3.17Å; I59-F91 PolarHBondContact O-N 2.86Å; I59-L279 HydrophobicContact CD1-CD1 3.42Å; I59-L279 VanDerWaalsContact CD1-CD1 3.42Å; I59-L279 HydrophobicContact CG1-CD1 3.78Å; I59-L279 HydrophobicContact CG2-CD1 4.16Å; I59-L296 CarbonylContact C-O 3.54Å; I59-L296 VanDerWaalsContact CA-O 3.24Å; I59-L296 WeakPolarHBondContact CA-O 3.21Å; I59-L297 HydrophobicContact CD1-CD1 4.32Å; I59-L297 HydrophobicContact CG1-CB 4.49Å; I59-L297 HydrophobicContact CG1-CD1 3.73Å
60	T	98.9	Very high	89.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.1	161	-173	0	0	0	0	111.3	F91 A202 G203 I260 G295 L296	T60-F91 CarbonylContact C-O 3.56Å; T60-F91 VanDerWaalsContact CA-O 3.23Å; T60-F91 WeakPolarHBondContact CA-O 3.16Å; T60-F91 PolarHBondContact OG1-O 2.83Å; T60-A202 HydrophobicContact CG2-CB 4.03Å; T60-G203 WeakPolarHBondContact OG1-CA 3.31Å; T60-G203 PolarHBondContact OG1-N 3.09Å; T60-I260 HydrophobicContact CG2-CD1 4.39Å; T60-I260 HydrophobicContact CG2-CG1 4.06Å; T60-G295 WeakPolarHBondContact O-CA 3.49Å; T60-L296 HydrophobicContact CG2-CB 3.87Å; T60-L296 HydrophobicContact CG2-CD1 4.21Å; T60-L296 PolarHBondContact N-O 3.11Å; T60-L296 PolarHBondContact O-N 3.1Å
61	W	98.9	Very high	91.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	120.9	-175.4	-155.5	-8.2	0	0	0	112.3	I59 I63 V78 Y81 F91 L92 Q93 P290 H293	I59-W61 HydrophobicContact CG2-CB 4.39Å; W61-I63 HydrophobicContact CB-CG2 4.06Å; W61-I63 HydrophobicContact CD2-CG2 4.14Å; W61-I63 HydrophobicContact CG-CG2 3.91Å; W61-I63 PolarHBondContact O-N 2.78Å; W61-V78 HydrophobicContact CE3-CG1 4.21Å; W61-V78 HydrophobicContact CE3-CG2 4.33Å; W61-V78 HydrophobicContact CH2-CG2 4.11Å; W61-V78 HydrophobicContact CZ2-CG2 4.44Å; W61-V78 HydrophobicContact CZ3-CB 4.38Å; W61-V78 HydrophobicContact CZ3-CG1 4.25Å; W61-V78 HydrophobicContact CZ3-CG2 4.05Å; W61-Y81 HydrophobicContact CH2-CD2 4.01Å; W61-Y81 HydrophobicContact CH2-CE2 4.48Å; W61-Y81 HydrophobicContact CH2-CG 4.25Å; W61-Y81 HydrophobicContact CZ3-CD2 4.26Å; W61-Y81 HydrophobicContact CZ3-CG 4.12Å; W61-F91 PolarHBondContact N-O 3.11Å; W61-L92 HydrophobicContact CB-CD2 4.14Å; W61-L92 WeakPolarHBondContact O-CA 3.21Å; W61-Q93 VanDerWaalsContact C-OE1 3.31Å; W61-Q93 PolarHBondContact O-N 2.95Å; W61-Q93 VanDerWaalsContact O-N 3.08Å; W61-P290 HydrophobicContact CH2-CB 3.85Å; W61-P290 HydrophobicContact CH2-CG 4.05Å; W61-P290 HydrophobicContact CZ2-CB 3.78Å; W61-P290 HydrophobicContact CZ2-CG 4.19Å; W61-H293 PolarHBondContact NE1-O 2.87Å
62	N	98.9	Very high	93.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.9	157.4	-175.2	-20.3	0	0	0	108.7	D64 Q93 E94 D204 S291 H293	N62-D64 PolarHBondContact OD1-N 3.34Å; N62-Q93 HydrophobicContact CB-CB 4.04Å; N62-E94 PolarHBondContact ND2-OE1 2.96Å; N62-E94 WeakPolarHBondContact OD1-CB 3.3Å; N62-E94 VanDerWaalsContact OD1-CD 3.24Å; N62-E94 VanDerWaalsContact OD1-CG 3.26Å; N62-E94 WeakPolarHBondContact OD1-CG 3.28Å; N62-E94 PolarHBondContact OD1-OE1 3.13Å; N62-D204 HydrophobicContact CB-CB 4.23Å; N62-D204 PolarHBondContact ND2-OD2 3.28Å; N62-D204 VanDerWaalsContact ND2-OD2 3.16Å; N62-S291 WeakPolarHBondContact O-CB 3.38Å; N62-S291 PolarHBondContact O-OG 3.5Å; N62-H293 HydrophobicContact CB-CB 4.14Å
63	I	98.8	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.			trans	-98.3	4.6	-171.7	50.4	158.6	0	0	0	113.5	W61 G65 R74 V78 L92 Q93 V95 Y99	W61-I63 HydrophobicContact CB-CG2 4.06Å; W61-I63 HydrophobicContact CD2-CG2 4.14Å; W61-I63 HydrophobicContact CG-CG2 3.91Å; W61-I63 PolarHBondContact O-N 2.78Å; I63-G65 VanDerWaalsContact C-N 3.33Å; I63-G65 PolarHBondContact O-N 2.95Å; I63-R74 PolarHBondContact O-NH2 2.93Å; I63-V78 HydrophobicContact CB-CG2 4.39Å; I63-V78 HydrophobicContact CG2-CG1 3.92Å; I63-V78 HydrophobicContact CG2-CG2 3.84Å; I63-L92 HydrophobicContact CD1-CD1 4.18Å; I63-L92 HydrophobicContact CG2-CD2 3.91Å; I63-Q93 WeakPolarHBondContact CG1-O 3.35Å; I63-Q93 PolarHBondContact N-O 2.91Å; I63-V95 HydrophobicContact CD1-CG2 4.09Å; I63-Y99 HydrophobicContact CB-CE2 4.41Å; I63-Y99 HydrophobicContact CD1-CD1 3.75Å; I63-Y99 HydrophobicContact CD1-CD2 3.93Å; I63-Y99 HydrophobicContact CD1-CE1 3.47Å; I63-Y99 VanDerWaalsContact CD1-CE1 3.47Å; I63-Y99 HydrophobicContact CD1-CE2 3.65Å; I63-Y99 HydrophobicContact CD1-CG 3.97Å; I63-Y99 HydrophobicContact CG1-CE2 4.38Å
64	D	98.5	Very high	96.7	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	15%	0.146	C	C	.	.			trans	46.4	54.3	175.2	176	29.5	0	0	0	112.2	N62 L66 D67 R74 D292	N62-D64 PolarHBondContact OD1-N 3.34Å; D64-L66 PolarHBondContact O-N 3.48Å; D64-D67 PolarHBondContact O-N 3.01Å; D64-D67 WeakPolarHBondContact OD1-CB 3.29Å; D64-D67 PolarHBondContact OD1-N 3.12Å; D64-D67 VanDerWaalsContact OD1-N 3.14Å; D64-D67 VanDerWaalsContact OD2-CB 3.27Å; D64-D67 WeakPolarHBondContact OD2-CB 3.35Å; D64-R74 VanDerWaalsContact CB-NH2 3.34Å; D64-R74 PolarHBondContact O-NH1 2.95Å; D64-R74 PolarHBondContact O-NH2 2.95Å; D64-R74 IonicContact OD2-CZ 2.91Å; D64-R74 IonicContact OD2-NH1 3.33Å; D64-R74 IonicContact OD2-NH2 2.79Å; D64-R74 PolarHBondContact OD2-NH2 3.16Å; D64-D292 VanDerWaalsContact CB-OD1 3.3Å; D64-D292 WeakPolarHBondContact CB-OD1 3.3Å
65	G	98.1	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.8	174.7	0	0	0	0	0	112.9	I63 E94 I96	I63-G65 VanDerWaalsContact C-N 3.33Å; I63-G65 PolarHBondContact O-N 2.95Å; G65-E94 VanDerWaalsContact CA-O 3.22Å; G65-E94 WeakPolarHBondContact CA-O 3.3Å; G65-E94 PolarHBondContact N-O 3.21Å; G65-I96 WeakPolarHBondContact O-CD1 3.34Å
66	L	97.3	Very high	97.9	Very high	61 Å²	61	25.1 Å²	25.1	32%	0.319	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.5	175.2	-67.4	-178.4	0	0	0	112.4	I15 D64 L68 E94 I96 Y120	I15-L66 HydrophobicContact CD1-CD1 4.41Å; D64-L66 PolarHBondContact O-N 3.48Å; L66-L68 PolarHBondContact O-N 3.25Å; L66-E94 WeakPolarHBondContact CD1-OE2 3.39Å; L66-E94 WeakPolarHBondContact CG-OE2 3.37Å; L66-I96 HydrophobicContact CD2-CG2 4.36Å; L66-Y120 HydrophobicContact CD1-CD1 4.13Å; L66-Y120 HydrophobicContact CD1-CD2 4.41Å; L66-Y120 HydrophobicContact CD1-CE1 4.28Å; L66-Y120 HydrophobicContact CD1-CG 4.17Å; L66-Y120 HydrophobicContact CD2-CD1 3.82Å; L66-Y120 HydrophobicContact CD2-CG 3.9Å; L66-Y120 HydrophobicContact CG-CD1 4.46Å; L66-Y120 HydrophobicContact CG-CG 4.28Å
67	D	97.3	Very high	98.1	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.064	13%	0.132	C	C	.	.			trans	-78.1	106.5	170.4	175.4	29.3	0	0	0	111.7	D64 N69 R74 R288	D64-D67 PolarHBondContact O-N 3.01Å; D64-D67 WeakPolarHBondContact OD1-CB 3.29Å; D64-D67 PolarHBondContact OD1-N 3.12Å; D64-D67 VanDerWaalsContact OD1-N 3.14Å; D64-D67 VanDerWaalsContact OD2-CB 3.27Å; D64-D67 WeakPolarHBondContact OD2-CB 3.35Å; D67-N69 VanDerWaalsContact C-N 3.25Å; D67-N69 PolarHBondContact O-N 3.14Å; D67-N69 VanDerWaalsContact OD1-CB 3.29Å; D67-N69 WeakPolarHBondContact OD1-CB 2.95Å; D67-N69 PolarHBondContact OD1-N 3.4Å; D67-N69 VanDerWaalsContact OD1-N 3.08Å; D67-N69 PolarHBondContact OD1-ND2 2.79Å; D67-R74 PolarHBondContact O-NH1 3.22Å; D67-R74 IonicContact OD2-NH1 3.71Å; D67-R74 PolarHBondContact OD2-NH1 2.89Å; D67-R288 IonicContact OD1-NH1 2.74Å; D67-R288 IonicContact OD2-CZ 3.23Å; D67-R288 IonicContact OD2-NH1 3.33Å; D67-R288 PolarHBondContact OD2-NH1 3.45Å; D67-R288 IonicContact OD2-NH2 2.8Å; D67-R288 PolarHBondContact OD2-NH2 3.23Å
68	L	96.2	Very high	98.1	Very high	102 Å²	102	24.8 Å²	24.8	53%	0.534	13%	0.128	S	C	.	.			trans	-75.7	-11.8	-178.1	-56.1	-176.4	0	0	0	113.5	L66 N70 L71 I96	L66-L68 PolarHBondContact O-N 3.25Å; L68-N70 PolarHBondContact O-N 2.92Å; L68-L71 HydrophobicContact CD2-CD2 3.93Å; L68-L71 PolarHBondContact O-N 3.09Å; L68-I96 HydrophobicContact CD2-CD1 4.3Å
69	N	96.4	Very high	98.1	Very high	105 Å²	105	25.3 Å²	25.3	56%	0.561	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	122.6	-179.4	-64.1	-63.5	0	0	0	110.4	D67 L71 R74 R288	D67-N69 VanDerWaalsContact C-N 3.25Å; D67-N69 PolarHBondContact O-N 3.14Å; D67-N69 VanDerWaalsContact OD1-CB 3.29Å; D67-N69 WeakPolarHBondContact OD1-CB 2.95Å; D67-N69 PolarHBondContact OD1-N 3.4Å; D67-N69 VanDerWaalsContact OD1-N 3.08Å; D67-N69 PolarHBondContact OD1-ND2 2.79Å; N69-L71 PolarHBondContact O-N 2.97Å; N69-L71 VanDerWaalsContact O-N 3.16Å; N69-R74 WeakPolarHBondContact O-CD 3.46Å; N69-R288 PolarHBondContact O-NH1 3.09Å
70	N	97.6	Very high	98	Very high	73 Å²	73	28.6 Å²	28.6	39%	0.39	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	25.8	-177.2	-51.7	95.6	0	0	0	113.9	L68 S72 E73 R74 C286 R288	L68-N70 PolarHBondContact O-N 2.92Å; N70-S72 VanDerWaalsContact C-N 3.29Å; N70-S72 PolarHBondContact O-N 3.23Å; N70-E73 PolarHBondContact O-N 3.17Å; N70-E73 VanDerWaalsContact O-N 3.11Å; N70-R74 HydrophobicContact CB-CG 4.46Å; N70-R74 WeakPolarHBondContact O-CG 3.32Å; N70-R74 PolarHBondContact O-N 3.12Å; N70-C286 HydrophobicContact CB-CB 4.16Å; N70-C286 WeakPolarHBondContact ND2-CB 3.19Å; N70-R288 WeakPolarHBondContact OD1-CD 3.42Å
71	L	97.5	Very high	98	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-39.8	-171.6	-177.2	63.1	0	0	0	113.5	V27 L29 L68 N69 R74 A75 I96 Y99	V27-L71 HydrophobicContact CG1-CD2 4.37Å; L29-L71 HydrophobicContact CD1-CD2 4.29Å; L29-L71 HydrophobicContact CD1-CG 4.29Å; L29-L71 HydrophobicContact CD2-CB 4.29Å; L29-L71 HydrophobicContact CD2-CD2 4.05Å; L29-L71 HydrophobicContact CD2-CG 3.95Å; L68-L71 HydrophobicContact CD2-CD2 3.93Å; L68-L71 PolarHBondContact O-N 3.09Å; N69-L71 PolarHBondContact O-N 2.97Å; N69-L71 VanDerWaalsContact O-N 3.16Å; L71-R74 PolarHBondContact O-N 3.34Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.01Å; L71-I96 HydrophobicContact CD2-CD1 3.87Å; L71-Y99 HydrophobicContact CD1-CD2 3.82Å; L71-Y99 HydrophobicContact CD1-CE2 3.88Å
72	S	97.6	Very high	98	Very high	28 Å²	28	30.5 Å²	30.5	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177.9	-176.2	0	0	0	0	112.7	N70 A75 R76	N70-S72 VanDerWaalsContact C-N 3.29Å; N70-S72 PolarHBondContact O-N 3.23Å; S72-A75 PolarHBondContact O-N 3.21Å; S72-R76 PolarHBondContact O-N 2.77Å
73	E	98.3	Very high	97.9	Very high	42 Å²	42	34.1 Å²	34.1	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-40.4	178.8	-164.6	-173.8	132.8	0	0	111.4	N70 A75 R76 G77 L284 D285 C286	N70-E73 PolarHBondContact O-N 3.17Å; N70-E73 VanDerWaalsContact O-N 3.11Å; E73-A75 PolarHBondContact O-N 2.85Å; E73-R76 WeakPolarHBondContact O-CB 3.41Å; E73-R76 PolarHBondContact O-N 2.9Å; E73-G77 PolarHBondContact O-N 2.88Å; E73-L284 VanDerWaalsContact OE1-CB 3.26Å; E73-L284 WeakPolarHBondContact OE1-CB 3.07Å; E73-D285 PolarHBondContact OE1-N 3.4Å; E73-C286 VanDerWaalsContact CD-SG 3.57Å; E73-C286 WeakPolarHBondContact OE1-CB 3.44Å; E73-C286 PolarHBondContact OE1-N 2.85Å; E73-C286 PolarHBondContact OE1-SG 2.81Å; E73-C286 VanDerWaalsContact OE2-CB 3.31Å; E73-C286 WeakPolarHBondContact OE2-CB 3.35Å
74	R	98.6	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-43.9	173.9	-72.9	177.2	56.2	-138.8	-12.1	112.2	I63 D64 D67 N69 N70 L71 G77 V78 L284 P290	I63-R74 PolarHBondContact O-NH2 2.93Å; D64-R74 VanDerWaalsContact CB-NH2 3.34Å; D64-R74 PolarHBondContact O-NH1 2.95Å; D64-R74 PolarHBondContact O-NH2 2.95Å; D64-R74 IonicContact OD2-CZ 2.91Å; D64-R74 IonicContact OD2-NH1 3.33Å; D64-R74 IonicContact OD2-NH2 2.79Å; D64-R74 PolarHBondContact OD2-NH2 3.16Å; D67-R74 PolarHBondContact O-NH1 3.22Å; D67-R74 IonicContact OD2-NH1 3.71Å; D67-R74 PolarHBondContact OD2-NH1 2.89Å; N69-R74 WeakPolarHBondContact O-CD 3.46Å; N70-R74 HydrophobicContact CB-CG 4.46Å; N70-R74 WeakPolarHBondContact O-CG 3.32Å; N70-R74 PolarHBondContact O-N 3.12Å; L71-R74 PolarHBondContact O-N 3.34Å; R74-G77 WeakPolarHBondContact O-CA 3.37Å; R74-G77 PolarHBondContact O-N 3.36Å; R74-G77 VanDerWaalsContact O-N 3.16Å; R74-V78 PolarHBondContact O-N 3.08Å; R74-L284 HydrophobicContact CB-CD1 4.41Å; R74-L284 HydrophobicContact CG-CD1 4.08Å; R74-P290 PolarHBondContact NE-O 2.99Å; R74-P290 PolarHBondContact NH2-O 3.18Å
75	A	98.4	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-40.4	174.7	0	0	0	0	0	112.4	L29 L71 S72 E73 G77 V78 C79 Y99 Y102	L29-A75 HydrophobicContact CD1-CB 4.37Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.01Å; S72-A75 PolarHBondContact O-N 3.21Å; E73-A75 PolarHBondContact O-N 2.85Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-V78 PolarHBondContact O-N 3.19Å; A75-C79 PolarHBondContact O-N 3.2Å; A75-C79 PolarHBondContact O-SG 3.09Å; A75-Y99 WeakPolarHBondContact CA-OH 3.23Å; A75-Y99 HydrophobicContact CB-CD1 4.21Å; A75-Y99 HydrophobicContact CB-CD2 4.37Å; A75-Y99 HydrophobicContact CB-CE1 3.7Å; A75-Y99 HydrophobicContact CB-CE2 3.89Å; A75-Y102 VanDerWaalsContact C-CE1 3.5Å; A75-Y102 HydrophobicContact CB-CD1 3.73Å; A75-Y102 HydrophobicContact CB-CE1 3.9Å; A75-Y102 HydrophobicContact CB-CG 4.37Å; A75-Y102 WeakPolarHBondContact O-CE1 3.29Å
76	R	98.2	Very high	97.8	Very high	83 Å²	83	46.5 Å²	46.5	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-42.8	171.4	-172	-174.3	-60.8	137.6	2.8	111.8	E32 S72 E73 C79 S80 Y102	E32-R76 IonicContact OE2-CZ 3.81Å; E32-R76 IonicContact OE2-NH1 3.59Å; E32-R76 IonicContact OE2-NH2 3.86Å; E32-R76 PolarHBondContact OE2-NH2 3.44Å; S72-R76 PolarHBondContact O-N 2.77Å; E73-R76 WeakPolarHBondContact O-CB 3.41Å; E73-R76 PolarHBondContact O-N 2.9Å; R76-C79 PolarHBondContact O-N 3.4Å; R76-S80 WeakPolarHBondContact O-CB 3.44Å; R76-S80 PolarHBondContact O-N 2.91Å; R76-S80 PolarHBondContact O-OG 2.65Å; R76-Y102 VanDerWaalsContact CA-OH 3.27Å; R76-Y102 WeakPolarHBondContact CA-OH 3.3Å; R76-Y102 VanDerWaalsContact CB-OH 3.27Å; R76-Y102 WeakPolarHBondContact CB-OH 3.36Å
77	G	98.4	Very high	97.8	Very high	6 Å²	6	43.6 Å²	43.6	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-55.8	-54.6	174.8	0	0	0	0	0	111.4	E73 R74 A75 C79 S80 Y81	E73-G77 PolarHBondContact O-N 2.88Å; R74-G77 WeakPolarHBondContact O-CA 3.37Å; R74-G77 PolarHBondContact O-N 3.36Å; R74-G77 VanDerWaalsContact O-N 3.16Å; A75-G77 VanDerWaalsContact C-N 3.33Å; G77-C79 PolarHBondContact O-N 2.99Å; G77-S80 WeakPolarHBondContact O-CB 3.23Å; G77-S80 PolarHBondContact O-N 2.57Å; G77-S80 VanDerWaalsContact O-N 3.09Å; G77-Y81 WeakPolarHBondContact O-CD2 3.32Å; G77-Y81 PolarHBondContact O-N 2.88Å
78	V	98.6	Very high	97.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.3	-51.6	176	172.2	0	0	0	0	111.2	W61 I63 R74 A75 S80 Y81 L82 Y99 P290	W61-V78 HydrophobicContact CE3-CG1 4.21Å; W61-V78 HydrophobicContact CE3-CG2 4.33Å; W61-V78 HydrophobicContact CH2-CG2 4.11Å; W61-V78 HydrophobicContact CZ2-CG2 4.44Å; W61-V78 HydrophobicContact CZ3-CB 4.38Å; W61-V78 HydrophobicContact CZ3-CG1 4.25Å; W61-V78 HydrophobicContact CZ3-CG2 4.05Å; I63-V78 HydrophobicContact CB-CG2 4.39Å; I63-V78 HydrophobicContact CG2-CG1 3.92Å; I63-V78 HydrophobicContact CG2-CG2 3.84Å; R74-V78 PolarHBondContact O-N 3.08Å; A75-V78 PolarHBondContact O-N 3.19Å; V78-S80 PolarHBondContact O-N 2.91Å; V78-Y81 WeakPolarHBondContact O-CB 3.36Å; V78-Y81 PolarHBondContact O-N 2.62Å; V78-Y81 VanDerWaalsContact O-N 3.08Å; V78-L82 HydrophobicContact CG1-CD1 4.11Å; V78-L82 HydrophobicContact CG1-CG 4.27Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.85Å; V78-Y99 WeakPolarHBondContact CB-OH 3.28Å; V78-Y99 WeakPolarHBondContact CG2-OH 3.37Å; V78-P290 HydrophobicContact CG2-CB 3.8Å
79	C	98.3	Very high	98	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-31.7	178.6	-74.1	0	0	0	0	113.4	A75 R76 G77 L82 A83 Y102 R106	A75-C79 PolarHBondContact O-N 3.2Å; A75-C79 PolarHBondContact O-SG 3.09Å; R76-C79 PolarHBondContact O-N 3.4Å; G77-C79 PolarHBondContact O-N 2.99Å; C79-L82 PolarHBondContact O-N 3.4Å; C79-A83 WeakPolarHBondContact O-CB 3.45Å; C79-A83 PolarHBondContact O-N 2.95Å; C79-Y102 HydrophobicContact CB-CE1 4.13Å; C79-Y102 VanDerWaalsContact SG-CE1 3.52Å; C79-R106 HydrophobicContact CB-CB 4.15Å
80	S	98.1	Very high	98.1	Very high	69 Å²	69	33.4 Å²	33.4	48%	0.483	18%	0.184	S	C	.	.	H	α-helix	trans	-67	-41.2	176.2	-56.1	0	0	0	0	111.5	R76 G77 V78 A83 L84	R76-S80 WeakPolarHBondContact O-CB 3.44Å; R76-S80 PolarHBondContact O-N 2.91Å; R76-S80 PolarHBondContact O-OG 2.65Å; G77-S80 WeakPolarHBondContact O-CB 3.23Å; G77-S80 PolarHBondContact O-N 2.57Å; G77-S80 VanDerWaalsContact O-N 3.09Å; V78-S80 PolarHBondContact O-N 2.91Å; S80-A83 PolarHBondContact O-N 2.81Å; S80-L84 VanDerWaalsContact O-CB 3.29Å; S80-L84 WeakPolarHBondContact O-CB 3.14Å; S80-L84 PolarHBondContact O-N 3.15Å
81	Y	98.3	Very high	98.1	Very high	38 Å²	38	30 Å²	30	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-44.8	171.2	-81.9	-89.9	0	0	0	111.5	W61 G77 V78 A83 L84 Y85 L279 G280 P290	W61-Y81 HydrophobicContact CH2-CD2 4.01Å; W61-Y81 HydrophobicContact CH2-CE2 4.48Å; W61-Y81 HydrophobicContact CH2-CG 4.25Å; W61-Y81 HydrophobicContact CZ3-CD2 4.26Å; W61-Y81 HydrophobicContact CZ3-CG 4.12Å; G77-Y81 WeakPolarHBondContact O-CD2 3.32Å; G77-Y81 PolarHBondContact O-N 2.88Å; V78-Y81 WeakPolarHBondContact O-CB 3.36Å; V78-Y81 PolarHBondContact O-N 2.62Å; V78-Y81 VanDerWaalsContact O-N 3.08Å; Y81-A83 VanDerWaalsContact C-N 3.3Å; Y81-A83 PolarHBondContact O-N 3.13Å; Y81-L84 PolarHBondContact O-N 2.8Å; Y81-Y85 HydrophobicContact CD1-CD2 4.28Å; Y81-Y85 AromaticContact CD1-CE2 3.78Å; Y81-Y85 HydrophobicContact CD1-CE2 3.78Å; Y81-Y85 HydrophobicContact CE1-CE2 4.36Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.49Å; Y81-Y85 PolarHBondContact O-N 2.78Å; Y81-L279 HydrophobicContact CD1-CB 4.09Å; Y81-L279 HydrophobicContact CD1-CD2 4.21Å; Y81-L279 HydrophobicContact CE1-CB 4.34Å; Y81-G280 VanDerWaalsContact CE1-N 3.33Å; Y81-P290 HydrophobicContact CE2-CG 4.36Å
82	L	98.3	Very high	98.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-38.9	178.4	-59.6	-178.7	0	0	0	112	I59 V78 C79 S86 I90 L103 M125	I59-L82 HydrophobicContact CD1-CD2 3.94Å; I59-L82 HydrophobicContact CG2-CD2 4.37Å; V78-L82 HydrophobicContact CG1-CD1 4.11Å; V78-L82 HydrophobicContact CG1-CG 4.27Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.85Å; C79-L82 PolarHBondContact O-N 3.4Å; L82-S86 VanDerWaalsContact O-CA 3.3Å; L82-S86 WeakPolarHBondContact O-CA 3.33Å; L82-S86 PolarHBondContact O-N 3.38Å; L82-I90 HydrophobicContact CB-CD1 4.37Å; L82-I90 HydrophobicContact CD1-CD1 4.02Å; L82-I90 HydrophobicContact CD2-CD1 3.77Å; L82-I90 HydrophobicContact CD2-CG1 4.07Å; L82-I90 HydrophobicContact CD2-CG2 3.82Å; L82-I90 HydrophobicContact CG-CD1 4.24Å; L82-L103 HydrophobicContact CD1-CD2 4.08Å; L82-M125 HydrophobicContact CD1-SD 4.4Å
83	A	97.4	Very high	98.3	Very high	77 Å²	77	28.4 Å²	28.4	64%	0.636	16%	0.155	S	C	*	.	H	α-helix	trans	-69	-41.5	175.8	0	0	0	0	0	112.3	C79 S80 Y81	C79-A83 WeakPolarHBondContact O-CB 3.45Å; C79-A83 PolarHBondContact O-N 2.95Å; S80-A83 PolarHBondContact O-N 2.81Å; Y81-A83 VanDerWaalsContact C-N 3.3Å; Y81-A83 PolarHBondContact O-N 3.13Å
84	L	97.3	Very high	98.3	Very high	127 Å²	127	27.5 Å²	27.5	67%	0.665	15%	0.151	S	C	*	.	H	α-helix	trans	-62.5	-49	179.7	176.1	62.6	0	0	0	112.2	S80 Y81	S80-L84 VanDerWaalsContact O-CB 3.29Å; S80-L84 WeakPolarHBondContact O-CB 3.14Å; S80-L84 PolarHBondContact O-N 3.15Å; Y81-L84 PolarHBondContact O-N 2.8Å
85	Y	97.6	Very high	98.3	Very high	101 Å²	101	27.5 Å²	27.5	40%	0.396	15%	0.151	S	C	.	.	H	α-helix	trans	-88.8	-22.6	-175.7	-69.5	-76.7	0	0	0	113.2	Y81 P87 L279 L297	Y81-Y85 HydrophobicContact CD1-CD2 4.28Å; Y81-Y85 AromaticContact CD1-CE2 3.78Å; Y81-Y85 HydrophobicContact CD1-CE2 3.78Å; Y81-Y85 HydrophobicContact CE1-CE2 4.36Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.49Å; Y81-Y85 PolarHBondContact O-N 2.78Å; Y85-P87 VanDerWaalsContact C-N 3.34Å; Y85-L279 HydrophobicContact CD2-CD1 4.35Å; Y85-L279 HydrophobicContact CD2-CD2 3.98Å; Y85-L279 HydrophobicContact CE1-CD2 4.38Å; Y85-L279 HydrophobicContact CE2-CD2 3.43Å; Y85-L279 VanDerWaalsContact CE2-CD2 3.43Å; Y85-L297 HydrophobicContact CD1-CD2 3.43Å; Y85-L297 VanDerWaalsContact CD1-CD2 3.43Å; Y85-L297 HydrophobicContact CE1-CD2 3.61Å; Y85-L297 HydrophobicContact CG-CD2 4.07Å
86	S	97.3	Very high	98.3	Very high	37 Å²	37	28.3 Å²	28.3	26%	0.259	16%	0.155	S	C	.	.			trans	45.5	48.6	178	-158.9	0	0	0	0	114.2	L82 K127	L82-S86 VanDerWaalsContact O-CA 3.3Å; L82-S86 WeakPolarHBondContact O-CA 3.33Å; L82-S86 PolarHBondContact O-N 3.38Å; S86-K127 PolarHBondContact O-NZ 2.82Å; S86-K127 PolarHBondContact OG-NZ 3.32Å
87	P	98	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.			trans	-64.1	160.6	-172.8	32.7	-41.5	0	0	0	112.2	S57 I59 Y85 I90 Y110	S57-P87 VanDerWaalsContact OG-CA 3.3Å; S57-P87 WeakPolarHBondContact OG-CA 3.05Å; I59-P87 HydrophobicContact CB-CG 4.3Å; I59-P87 HydrophobicContact CD1-CB 4.32Å; I59-P87 HydrophobicContact CD1-CG 3.73Å; I59-P87 HydrophobicContact CG1-CB 4.07Å; I59-P87 HydrophobicContact CG1-CG 3.88Å; Y85-P87 VanDerWaalsContact C-N 3.34Å; P87-I90 HydrophobicContact CG-CD1 3.96Å; P87-I90 HydrophobicContact CG-CG1 3.45Å; P87-I90 VanDerWaalsContact CG-CG1 3.45Å; P87-Y110 WeakPolarHBondContact CD-OH 3.32Å; P87-Y110 WeakPolarHBondContact O-CE1 3.24Å; P87-Y110 VanDerWaalsContact O-CZ 3.27Å; P87-Y110 PolarHBondContact O-OH 3.02Å
88	D	98.3	Very high	98.3	Very high	5 Å²	5	28 Å²	28	3%	0.027	16%	0.163	C	C	.	.	S	Bend	trans	-71.4	-37.5	177.6	-59.4	-66.6	0	0	0	112.2	F56 S57 K127 R130 V131	F56-D88 VanDerWaalsContact CA-OD2 3.28Å; F56-D88 WeakPolarHBondContact CA-OD2 3.37Å; F56-D88 HydrophobicContact CD2-CB 3.63Å; F56-D88 HydrophobicContact CE2-CB 3.54Å; F56-D88 HydrophobicContact CZ-CB 4.48Å; S57-D88 PolarHBondContact N-OD2 2.82Å; S57-D88 WeakPolarHBondContact O-CA 2.92Å; S57-D88 WeakPolarHBondContact O-CB 3.2Å; S57-D88 PolarHBondContact O-N 2.93Å; S57-D88 PolarHBondContact OG-N 2.91Å; S57-D88 PolarHBondContact OG-OD2 3Å; S57-D88 VanDerWaalsContact OG-OD2 3.08Å; D88-K127 WeakPolarHBondContact O-CB 3.26Å; D88-K127 PolarHBondContact O-N 3.26Å; D88-R130 WeakPolarHBondContact OD1-CD 3.23Å; D88-R130 IonicContact OD1-CZ 2.84Å; D88-R130 IonicContact OD1-NE 3.85Å; D88-R130 PolarHBondContact OD1-NE 3.33Å; D88-V131 HydrophobicContact CB-CG2 4.04Å; D88-V131 WeakPolarHBondContact O-CG2 3.34Å
89	V	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.6	-178.8	179.1	0	0	0	0	110.8	F56 S57 L58 I59 F91 I124 M125 L126 V131 L164	F56-V89 HydrophobicContact CE2-CG2 3.86Å; F56-V89 HydrophobicContact CZ-CB 4.31Å; F56-V89 HydrophobicContact CZ-CG2 3.61Å; S57-V89 PolarHBondContact O-N 2.95Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.49Å; L58-V89 HydrophobicContact CB-CB 4.2Å; I59-V89 PolarHBondContact N-O 2.93Å; V89-F91 HydrophobicContact CB-CE2 4.33Å; V89-F91 HydrophobicContact CG1-CD1 4.41Å; V89-F91 HydrophobicContact CG1-CD2 4.05Å; V89-F91 HydrophobicContact CG1-CE1 3.97Å; V89-F91 HydrophobicContact CG1-CE2 3.52Å; V89-F91 HydrophobicContact CG1-CG 4.49Å; V89-F91 HydrophobicContact CG1-CZ 3.51Å; V89-I124 HydrophobicContact CG1-CG2 4.1Å; V89-M125 CarbonylContact C-O 3.52Å; V89-M125 WeakPolarHBondContact CA-O 3.38Å; V89-L126 HydrophobicContact CG1-CD2 4.43Å; V89-L126 HydrophobicContact CG2-CD2 4.25Å; V89-V131 HydrophobicContact CG2-CG2 4.26Å; V89-L164 HydrophobicContact CB-CD1 4.46Å; V89-L164 HydrophobicContact CG1-CD1 3.87Å; V89-L164 HydrophobicContact CG2-CD1 3.7Å; V89-L164 HydrophobicContact CG2-CD2 4.48Å
90	I	98.9	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.2	176	-51.5	157.6	0	0	0	109	I59 L82 P87 L92 Y110 I124 M125	I59-I90 HydrophobicContact CB-CG2 4.35Å; I59-I90 HydrophobicContact CG2-CG2 4.37Å; I59-I90 CarbonylContact O-C 3.59Å; I59-I90 WeakPolarHBondContact O-CA 3.45Å; L82-I90 HydrophobicContact CB-CD1 4.37Å; L82-I90 HydrophobicContact CD1-CD1 4.02Å; L82-I90 HydrophobicContact CD2-CD1 3.77Å; L82-I90 HydrophobicContact CD2-CG1 4.07Å; L82-I90 HydrophobicContact CD2-CG2 3.82Å; L82-I90 HydrophobicContact CG-CD1 4.24Å; P87-I90 HydrophobicContact CG-CD1 3.96Å; P87-I90 HydrophobicContact CG-CG1 3.45Å; P87-I90 VanDerWaalsContact CG-CG1 3.45Å; I90-L92 HydrophobicContact CG2-CD1 4.47Å; I90-L92 HydrophobicContact CG2-CD2 3.64Å; I90-L92 HydrophobicContact CG2-CG 3.85Å; I90-Y110 HydrophobicContact CD1-CD1 3.89Å; I90-Y110 HydrophobicContact CD1-CD2 4.46Å; I90-Y110 HydrophobicContact CD1-CE1 3.55Å; I90-Y110 HydrophobicContact CD1-CE2 4.14Å; I90-Y110 HydrophobicContact CD1-CG 4.36Å; I90-Y110 HydrophobicContact CG1-CE1 4.15Å; I90-I124 CarbonylContact O-C 3.5Å; I90-I124 VanDerWaalsContact O-CA 3.3Å; I90-I124 WeakPolarHBondContact O-CA 3.38Å; I90-M125 HydrophobicContact CB-CB 3.97Å; I90-M125 HydrophobicContact CB-CG 4.26Å; I90-M125 HydrophobicContact CB-SD 4.27Å; I90-M125 HydrophobicContact CD1-CB 4.12Å; I90-M125 HydrophobicContact CD1-CE 4.25Å; I90-M125 HydrophobicContact CD1-SD 4.02Å; I90-M125 HydrophobicContact CG1-CB 4.45Å; I90-M125 HydrophobicContact CG2-SD 4.32Å; I90-M125 PolarHBondContact N-O 2.91Å; I90-M125 PolarHBondContact O-N 2.97Å
91	F	98.9	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.6	177.5	-54.7	-87.8	0	0	0	109.8	L58 I59 T60 W61 V89 Q93 I124 L164 T166 I200 A202	L58-F91 HydrophobicContact CB-CD2 4.45Å; L58-F91 HydrophobicContact CB-CE2 3.94Å; L58-F91 HydrophobicContact CD1-CD2 4.21Å; L58-F91 HydrophobicContact CD1-CE2 3.99Å; L58-F91 HydrophobicContact CD2-CE2 4.09Å; L58-F91 HydrophobicContact CG-CE2 4.23Å; I59-F91 WeakPolarHBondContact O-CD2 3.17Å; I59-F91 PolarHBondContact O-N 2.86Å; T60-F91 CarbonylContact C-O 3.56Å; T60-F91 VanDerWaalsContact CA-O 3.23Å; T60-F91 WeakPolarHBondContact CA-O 3.16Å; T60-F91 PolarHBondContact OG1-O 2.83Å; W61-F91 PolarHBondContact N-O 3.11Å; V89-F91 HydrophobicContact CB-CE2 4.33Å; V89-F91 HydrophobicContact CG1-CD1 4.41Å; V89-F91 HydrophobicContact CG1-CD2 4.05Å; V89-F91 HydrophobicContact CG1-CE1 3.97Å; V89-F91 HydrophobicContact CG1-CE2 3.52Å; V89-F91 HydrophobicContact CG1-CG 4.49Å; V89-F91 HydrophobicContact CG1-CZ 3.51Å; F91-Q93 PolarHBondContact O-NE2 3.36Å; F91-I124 HydrophobicContact CD1-CD1 3.94Å; F91-I124 HydrophobicContact CD1-CG1 3.82Å; F91-I124 HydrophobicContact CE1-CD1 3.92Å; F91-I124 HydrophobicContact CE1-CG1 4.26Å; F91-L164 HydrophobicContact CE1-CB 3.93Å; F91-L164 HydrophobicContact CZ-CB 4.14Å; F91-L164 HydrophobicContact CZ-CD2 4.13Å; F91-T166 HydrophobicContact CD1-CG2 4.42Å; F91-I200 HydrophobicContact CZ-CG2 4.4Å; F91-A202 HydrophobicContact CB-CB 4.36Å; F91-A202 HydrophobicContact CD1-CB 4.41Å; F91-A202 HydrophobicContact CD2-CB 3.56Å; F91-A202 HydrophobicContact CE2-CB 3.76Å; F91-A202 HydrophobicContact CG-CB 3.89Å; F91-A202 HydrophobicContact CZ-CB 4.23Å
92	L	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.9	-178.7	-58.8	-178.6	0	0	0	111.5	W61 I63 I90 V95 L103 T122 A123 M125	W61-L92 HydrophobicContact CB-CD2 4.14Å; W61-L92 WeakPolarHBondContact O-CA 3.21Å; I63-L92 HydrophobicContact CD1-CD1 4.18Å; I63-L92 HydrophobicContact CG2-CD2 3.91Å; I90-L92 HydrophobicContact CG2-CD1 4.47Å; I90-L92 HydrophobicContact CG2-CD2 3.64Å; I90-L92 HydrophobicContact CG2-CG 3.85Å; L92-V95 HydrophobicContact CB-CG2 3.61Å; L92-V95 HydrophobicContact CD1-CG2 4.32Å; L92-L103 HydrophobicContact CD1-CD1 3.65Å; L92-L103 HydrophobicContact CD1-CD2 4.18Å; L92-T122 CarbonylContact O-C 3.55Å; L92-T122 WeakPolarHBondContact O-CA 3.37Å; L92-T122 WeakPolarHBondContact O-CB 3.46Å; L92-A123 PolarHBondContact N-O 3.37Å; L92-A123 PolarHBondContact O-N 3.16Å; L92-M125 HydrophobicContact CD1-SD 3.82Å
93	Q	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.4	168.1	-58.1	77.5	54.9	0	0	109.8	W61 N62 I63 F91 V95 T122 T166 H168 D204	W61-Q93 VanDerWaalsContact C-OE1 3.31Å; W61-Q93 PolarHBondContact O-N 2.95Å; W61-Q93 VanDerWaalsContact O-N 3.08Å; N62-Q93 HydrophobicContact CB-CB 4.04Å; I63-Q93 WeakPolarHBondContact CG1-O 3.35Å; I63-Q93 PolarHBondContact N-O 2.91Å; F91-Q93 PolarHBondContact O-NE2 3.36Å; Q93-V95 VanDerWaalsContact C-N 3.28Å; Q93-V95 PolarHBondContact O-N 3.46Å; Q93-T122 HydrophobicContact CB-CG2 4.47Å; Q93-T122 HydrophobicContact CG-CG2 4.02Å; Q93-T166 PolarHBondContact NE2-OG1 3.06Å; Q93-H168 HydrophobicContact CB-CB 4.04Å; Q93-H168 HydrophobicContact CG-CB 3.89Å; Q93-D204 HydrophobicContact CG-CB 4.18Å
94	E	98.7	Very high	98.2	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.4	34.7	-177.1	-57.2	-168.6	-157.4	0	0	114.5	N62 G65 L66 Y120 F121 H168	N62-E94 PolarHBondContact ND2-OE1 2.96Å; N62-E94 WeakPolarHBondContact OD1-CB 3.3Å; N62-E94 VanDerWaalsContact OD1-CD 3.24Å; N62-E94 VanDerWaalsContact OD1-CG 3.26Å; N62-E94 WeakPolarHBondContact OD1-CG 3.28Å; N62-E94 PolarHBondContact OD1-OE1 3.13Å; G65-E94 VanDerWaalsContact CA-O 3.22Å; G65-E94 WeakPolarHBondContact CA-O 3.3Å; G65-E94 PolarHBondContact N-O 3.21Å; L66-E94 WeakPolarHBondContact CD1-OE2 3.39Å; L66-E94 WeakPolarHBondContact CG-OE2 3.37Å; E94-Y120 HydrophobicContact CG-CD2 4.18Å; E94-F121 PolarHBondContact N-O 3.38Å; E94-H168 IonicContact OE1-CE1 3.62Å; E94-H168 PolarHBondContact OE1-CE1 2.9Å; E94-H168 IonicContact OE1-ND1 2.8Å
95	V	98.8	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.5	166.5	-173.1	0	0	0	0	108.5	I63 L92 Q93 L103 Y120 F121 A123	I63-V95 HydrophobicContact CD1-CG2 4.09Å; L92-V95 HydrophobicContact CB-CG2 3.61Å; L92-V95 HydrophobicContact CD1-CG2 4.32Å; Q93-V95 VanDerWaalsContact C-N 3.28Å; Q93-V95 PolarHBondContact O-N 3.46Å; V95-L103 HydrophobicContact CG1-CD1 4.37Å; V95-Y120 CarbonylContact O-C 3.53Å; V95-Y120 WeakPolarHBondContact O-CA 3.18Å; V95-F121 HydrophobicContact CB-CD2 3.86Å; V95-F121 HydrophobicContact CB-CE2 3.79Å; V95-F121 WeakPolarHBondContact CB-O 3.4Å; V95-F121 HydrophobicContact CG1-CD2 4.16Å; V95-F121 HydrophobicContact CG1-CE2 3.55Å; V95-F121 HydrophobicContact CG1-CZ 4.13Å; V95-F121 PolarHBondContact N-O 3.32Å; V95-F121 PolarHBondContact O-N 2.95Å; V95-A123 HydrophobicContact CG2-CB 3.95Å
96	I	98.6	Very high	98.1	Very high	17 Å²	17	31.9 Å²	31.9	9%	0.087	16%	0.155	C	C	.	.			trans	-119.2	162.3	170.5	62.4	160.6	0	0	0	110.2	G65 L66 L68 L71 P98 Y99 Y100	G65-I96 WeakPolarHBondContact O-CD1 3.34Å; L66-I96 HydrophobicContact CD2-CG2 4.36Å; L68-I96 HydrophobicContact CD2-CD1 4.3Å; L71-I96 HydrophobicContact CD2-CD1 3.87Å; I96-P98 HydrophobicContact CD1-CB 4.41Å; I96-P98 HydrophobicContact CD1-CG 4.09Å; I96-Y99 CarbonylContact O-C 3.57Å; I96-Y99 WeakPolarHBondContact O-CA 3.42Å; I96-Y99 VanDerWaalsContact O-CB 3.31Å; I96-Y99 WeakPolarHBondContact O-CB 3.34Å; I96-Y99 PolarHBondContact O-N 2.88Å; I96-Y100 PolarHBondContact O-N 2.94Å
97	P	98.3	Very high	98	Very high	52 Å²	52	30.4 Å²	30.4	34%	0.338	15%	0.145	S	C	.	.	H	α-helix	trans	-54.4	-41.3	-175.6	-24.7	31.6	0	0	0	115.2	Y99 Y100 S101 G119 F121	P97-Y99 VanDerWaalsContact C-N 3.33Å; P97-Y99 PolarHBondContact O-N 2.84Å; P97-Y100 WeakPolarHBondContact O-CB 3.34Å; P97-Y100 PolarHBondContact O-N 2.86Å; P97-S101 PolarHBondContact O-N 2.87Å; P97-S101 PolarHBondContact O-OG 3.43Å; P97-G119 VanDerWaalsContact CD-O 3.3Å; P97-G119 WeakPolarHBondContact CD-O 3.47Å; P97-F121 HydrophobicContact CG-CE1 4.16Å
98	P	97.6	Very high	97.9	Very high	31 Å²	31	34.2 Å²	34.2	20%	0.201	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-41.6	171.9	-27.2	36.3	0	0	0	113.5	V27 L29 I96 S101 Y102	V27-P98 WeakPolarHBondContact O-CB 3.45Å; L29-P98 HydrophobicContact CD1-CB 3.97Å; L29-P98 WeakPolarHBondContact CD1-O 3.39Å; L29-P98 HydrophobicContact CG-CB 3.94Å; I96-P98 HydrophobicContact CD1-CB 4.41Å; I96-P98 HydrophobicContact CD1-CG 4.09Å; P98-S101 PolarHBondContact O-N 2.9Å; P98-Y102 PolarHBondContact O-N 2.84Å
99	Y	98.2	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-42.8	178.5	-145.4	-53	0	0	0	110.9	L29 I63 L71 A75 V78 I96 P97 S101 Y102 L103	L29-Y99 HydrophobicContact CD1-CG 4.49Å; I63-Y99 HydrophobicContact CB-CE2 4.41Å; I63-Y99 HydrophobicContact CD1-CD1 3.75Å; I63-Y99 HydrophobicContact CD1-CD2 3.93Å; I63-Y99 HydrophobicContact CD1-CE1 3.47Å; I63-Y99 VanDerWaalsContact CD1-CE1 3.47Å; I63-Y99 HydrophobicContact CD1-CE2 3.65Å; I63-Y99 HydrophobicContact CD1-CG 3.97Å; I63-Y99 HydrophobicContact CG1-CE2 4.38Å; L71-Y99 HydrophobicContact CD1-CD2 3.82Å; L71-Y99 HydrophobicContact CD1-CE2 3.88Å; A75-Y99 WeakPolarHBondContact CA-OH 3.23Å; A75-Y99 HydrophobicContact CB-CD1 4.21Å; A75-Y99 HydrophobicContact CB-CD2 4.37Å; A75-Y99 HydrophobicContact CB-CE1 3.7Å; A75-Y99 HydrophobicContact CB-CE2 3.89Å; V78-Y99 WeakPolarHBondContact CB-OH 3.28Å; V78-Y99 WeakPolarHBondContact CG2-OH 3.37Å; I96-Y99 CarbonylContact O-C 3.57Å; I96-Y99 WeakPolarHBondContact O-CA 3.42Å; I96-Y99 VanDerWaalsContact O-CB 3.31Å; I96-Y99 WeakPolarHBondContact O-CB 3.34Å; I96-Y99 PolarHBondContact O-N 2.88Å; P97-Y99 VanDerWaalsContact C-N 3.33Å; P97-Y99 PolarHBondContact O-N 2.84Å; Y99-S101 VanDerWaalsContact C-N 3.35Å; Y99-S101 PolarHBondContact O-N 3.32Å; Y99-Y102 WeakPolarHBondContact O-CB 3.43Å; Y99-Y102 PolarHBondContact O-N 3.04Å; Y99-Y102 VanDerWaalsContact O-N 3.16Å; Y99-L103 HydrophobicContact CD1-CD1 3.85Å; Y99-L103 HydrophobicContact CD1-CG 3.89Å; Y99-L103 HydrophobicContact CE1-CD1 4.31Å; Y99-L103 HydrophobicContact CE1-CD2 4.34Å; Y99-L103 HydrophobicContact CE1-CG 4.19Å; Y99-L103 WeakPolarHBondContact O-CG 3.36Å; Y99-L103 PolarHBondContact O-N 2.8Å
100	Y	98.3	Very high	97.8	Very high	66 Å²	66	37.8 Å²	37.8	26%	0.259	19%	0.191	S	C	.	.	H	α-helix	trans	-56	-47.9	172.9	168.1	-96	0	0	0	111.8	I96 P97 Y102 L103 K104 I112 T114	I96-Y100 PolarHBondContact O-N 2.94Å; P97-Y100 WeakPolarHBondContact O-CB 3.34Å; P97-Y100 PolarHBondContact O-N 2.86Å; Y100-Y102 VanDerWaalsContact C-N 3.27Å; Y100-Y102 PolarHBondContact O-N 2.99Å; Y100-L103 PolarHBondContact O-N 2.77Å; Y100-K104 HydrophobicContact CE1-CD 4.23Å; Y100-K104 WeakPolarHBondContact O-CB 3.3Å; Y100-K104 PolarHBondContact O-N 3Å; Y100-I112 HydrophobicContact CD2-CG2 3.97Å; Y100-I112 HydrophobicContact CE2-CB 4.09Å; Y100-I112 HydrophobicContact CE2-CD1 4.42Å; Y100-I112 HydrophobicContact CE2-CG2 3.77Å; Y100-T114 HydrophobicContact CD2-CG2 3.81Å; Y100-T114 HydrophobicContact CE2-CG2 3.92Å
101	S	97.7	Very high	97.8	Very high	59 Å²	59	41.6 Å²	41.6	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-39.6	177.1	-66.4	0	0	0	0	112	P97 P98 Y99 K105	P97-S101 PolarHBondContact O-N 2.87Å; P97-S101 PolarHBondContact O-OG 3.43Å; P98-S101 PolarHBondContact O-N 2.9Å; Y99-S101 VanDerWaalsContact C-N 3.35Å; Y99-S101 PolarHBondContact O-N 3.32Å; S101-K105 PolarHBondContact O-N 2.87Å
102	Y	97.4	Very high	97.8	Very high	4 Å²	4	43 Å²	43	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-47.3	175.5	-171.6	-101.1	0	0	0	112.7	L29 A75 R76 C79 P98 Y99 Y100 K104 K105 R106	L29-Y102 HydrophobicContact CB-CD2 4.01Å; L29-Y102 HydrophobicContact CB-CG 4.28Å; L29-Y102 WeakPolarHBondContact O-CD2 3.35Å; L29-Y102 WeakPolarHBondContact O-CE2 3.29Å; A75-Y102 VanDerWaalsContact C-CE1 3.5Å; A75-Y102 HydrophobicContact CB-CD1 3.73Å; A75-Y102 HydrophobicContact CB-CE1 3.9Å; A75-Y102 HydrophobicContact CB-CG 4.37Å; A75-Y102 WeakPolarHBondContact O-CE1 3.29Å; R76-Y102 VanDerWaalsContact CA-OH 3.27Å; R76-Y102 WeakPolarHBondContact CA-OH 3.3Å; R76-Y102 VanDerWaalsContact CB-OH 3.27Å; R76-Y102 WeakPolarHBondContact CB-OH 3.36Å; C79-Y102 HydrophobicContact CB-CE1 4.13Å; C79-Y102 VanDerWaalsContact SG-CE1 3.52Å; P98-Y102 PolarHBondContact O-N 2.84Å; Y99-Y102 WeakPolarHBondContact O-CB 3.43Å; Y99-Y102 PolarHBondContact O-N 3.04Å; Y99-Y102 VanDerWaalsContact O-N 3.16Å; Y100-Y102 VanDerWaalsContact C-N 3.27Å; Y100-Y102 PolarHBondContact O-N 2.99Å; Y102-K104 VanDerWaalsContact C-N 3.32Å; Y102-K104 PolarHBondContact O-N 2.75Å; Y102-K105 PolarHBondContact O-N 3.08Å; Y102-K105 VanDerWaalsContact O-N 3.14Å; Y102-R106 HydrophobicContact CD1-CG 4.07Å; Y102-R106 HydrophobicContact CD2-CG 4.29Å; Y102-R106 HydrophobicContact CE1-CB 4.4Å; Y102-R106 HydrophobicContact CE1-CG 3.64Å; Y102-R106 HydrophobicContact CE2-CG 3.91Å; Y102-R106 HydrophobicContact CG-CG 4.38Å; Y102-R106 PolarHBondContact O-N 2.81Å; Y102-R106 PolarHBondContact OH-NE 3.11Å
103	L	97.9	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-44.3	175.9	-72.8	164.3	0	0	0	111	L82 L92 V95 Y99 Y100 K105 R106 S107 I112 M125	L82-L103 HydrophobicContact CD1-CD2 4.08Å; L92-L103 HydrophobicContact CD1-CD1 3.65Å; L92-L103 HydrophobicContact CD1-CD2 4.18Å; V95-L103 HydrophobicContact CG1-CD1 4.37Å; Y99-L103 HydrophobicContact CD1-CD1 3.85Å; Y99-L103 HydrophobicContact CD1-CG 3.89Å; Y99-L103 HydrophobicContact CE1-CD1 4.31Å; Y99-L103 HydrophobicContact CE1-CD2 4.34Å; Y99-L103 HydrophobicContact CE1-CG 4.19Å; Y99-L103 WeakPolarHBondContact O-CG 3.36Å; Y99-L103 PolarHBondContact O-N 2.8Å; Y100-L103 PolarHBondContact O-N 2.77Å; L103-K105 VanDerWaalsContact C-N 3.26Å; L103-K105 PolarHBondContact O-N 2.84Å; L103-R106 PolarHBondContact O-N 2.76Å; L103-S107 WeakPolarHBondContact O-CA 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.26Å; L103-S107 PolarHBondContact O-N 2.77Å; L103-I112 HydrophobicContact CB-CD1 3.94Å; L103-M125 HydrophobicContact CD2-CE 4.32Å; L103-M125 HydrophobicContact CD2-SD 4.16Å
104	K	97.2	Very high	97.8	Very high	127 Å²	127	44.8 Å²	44.8	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-36.4	177.5	-171.9	175.1	-177	173.4	0	112.4	Y100 Y102 I112	Y100-K104 HydrophobicContact CE1-CD 4.23Å; Y100-K104 WeakPolarHBondContact O-CB 3.3Å; Y100-K104 PolarHBondContact O-N 3Å; Y102-K104 VanDerWaalsContact C-N 3.32Å; Y102-K104 PolarHBondContact O-N 2.75Å; K104-I112 HydrophobicContact CB-CD1 4.38Å
105	K	96.1	Very high	97.8	Very high	120 Å²	120	43.8 Å²	43.8	52%	0.522	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-42.3	177	-175.9	176.2	178.8	177.3	0	112.4	T30 S101 Y102 L103	T30-K105 PolarHBondContact O-NZ 3.21Å; S101-K105 PolarHBondContact O-N 2.87Å; Y102-K105 PolarHBondContact O-N 3.08Å; Y102-K105 VanDerWaalsContact O-N 3.14Å; L103-K105 VanDerWaalsContact C-N 3.26Å; L103-K105 PolarHBondContact O-N 2.84Å
106	R	96.4	Very high	97.7	Very high	129 Å²	129	48 Å²	48	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-90.9	-24.8	-171.5	-65.4	-62.2	-173.7	168.8	-1.6	114.6	C79 Y102 L103	C79-R106 HydrophobicContact CB-CB 4.15Å; Y102-R106 HydrophobicContact CD1-CG 4.07Å; Y102-R106 HydrophobicContact CD2-CG 4.29Å; Y102-R106 HydrophobicContact CE1-CB 4.4Å; Y102-R106 HydrophobicContact CE1-CG 3.64Å; Y102-R106 HydrophobicContact CE2-CG 3.91Å; Y102-R106 HydrophobicContact CG-CG 4.38Å; Y102-R106 PolarHBondContact O-N 2.81Å; Y102-R106 PolarHBondContact OH-NE 3.11Å; L103-R106 PolarHBondContact O-N 2.76Å
107	S	95.1	Very high	97.5	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.042	28%	0.275	C	S	.	.			trans	-120.4	48.8	-176	-54.1	0	0	0	0	110.7	L103 N109 Y110	L103-S107 WeakPolarHBondContact O-CA 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.26Å; L103-S107 PolarHBondContact O-N 2.77Å; S107-N109 PolarHBondContact O-N 2.91Å; S107-N109 VanDerWaalsContact O-N 3.15Å; S107-Y110 PolarHBondContact O-N 2.81Å
108	S	96.3	Very high	97.3	Very high	81 Å²	81	59.6 Å²	59.6	57%	0.566	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.5	-173.7	60.9	0	0	0	0	114.2	Y110 K128	S108-Y110 PolarHBondContact O-N 2.83Å; S108-K128 PolarHBondContact O-NZ 3.48Å
109	N	97.4	Very high	97.2	Very high	72 Å²	72	60 Å²	60	39%	0.385	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.9	171.4	61.3	-37.8	0	0	0	113.8	S107 K128	S107-N109 PolarHBondContact O-N 2.91Å; S107-N109 VanDerWaalsContact O-N 3.15Å; N109-K128 WeakPolarHBondContact O-CB 3.07Å; N109-K128 WeakPolarHBondContact O-CG 3.49Å; N109-K128 PolarHBondContact O-N 2.92Å
110	Y	98.7	Very high	97.2	Very high	8 Å²	8	61.2 Å²	61.2	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.3	174.2	-67.2	-96.4	0	0	0	112.3	P87 I90 S107 S108 M125 L126 K127 K128	P87-Y110 WeakPolarHBondContact CD-OH 3.32Å; P87-Y110 WeakPolarHBondContact O-CE1 3.24Å; P87-Y110 VanDerWaalsContact O-CZ 3.27Å; P87-Y110 PolarHBondContact O-OH 3.02Å; I90-Y110 HydrophobicContact CD1-CD1 3.89Å; I90-Y110 HydrophobicContact CD1-CD2 4.46Å; I90-Y110 HydrophobicContact CD1-CE1 3.55Å; I90-Y110 HydrophobicContact CD1-CE2 4.14Å; I90-Y110 HydrophobicContact CD1-CG 4.36Å; I90-Y110 HydrophobicContact CG1-CE1 4.15Å; S107-Y110 PolarHBondContact O-N 2.81Å; S108-Y110 PolarHBondContact O-N 2.83Å; Y110-M125 HydrophobicContact CD1-CB 3.92Å; Y110-M125 HydrophobicContact CD2-CE 4.38Å; Y110-M125 HydrophobicContact CG-CB 4.2Å; Y110-M125 HydrophobicContact CG-CE 4.09Å; Y110-L126 CarbonylContact C-O 3.48Å; Y110-L126 VanDerWaalsContact CA-O 3.23Å; Y110-L126 WeakPolarHBondContact CA-O 3.29Å; Y110-L126 VanDerWaalsContact CD1-C 3.45Å; Y110-K127 HydrophobicContact CD1-CB 4.12Å; Y110-K127 HydrophobicContact CE1-CB 3.66Å; Y110-K127 HydrophobicContact CE1-CG 4.34Å; Y110-K128 VanDerWaalsContact O-CE 3.29Å; Y110-K128 WeakPolarHBondContact O-CE 3.43Å
111	E	98.6	Very high	97.2	Very high	79 Å²	79	58.7 Å²	58.7	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.1	160.7	-179	170.4	-170.4	0	0	108.6	I113 M125 L126 K128 L133	E111-I113 HydrophobicContact CG-CD1 4.21Å; E111-M125 CarbonylContact O-C 3.51Å; E111-M125 VanDerWaalsContact O-CA 3.23Å; E111-M125 WeakPolarHBondContact O-CA 3.46Å; E111-L126 HydrophobicContact CB-CB 4.47Å; E111-L126 PolarHBondContact N-O 3.14Å; E111-L126 PolarHBondContact O-N 2.8Å; E111-K128 HydrophobicContact CB-CG 4.31Å; E111-L133 WeakPolarHBondContact OE1-CD2 3.43Å
112	I	98.7	Very high	97.3	Very high	29 Å²	29	56.2 Å²	56.2	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	-173.6	-51.9	179.3	0	0	0	109.4	Y100 L103 K104 T114 A123 M125	Y100-I112 HydrophobicContact CD2-CG2 3.97Å; Y100-I112 HydrophobicContact CE2-CB 4.09Å; Y100-I112 HydrophobicContact CE2-CD1 4.42Å; Y100-I112 HydrophobicContact CE2-CG2 3.77Å; L103-I112 HydrophobicContact CB-CD1 3.94Å; K104-I112 HydrophobicContact CB-CD1 4.38Å; I112-T114 HydrophobicContact CG2-CG2 4.24Å; I112-A123 HydrophobicContact CG2-CB 4.21Å; I112-M125 HydrophobicContact CD1-CE 3.99Å; I112-M125 HydrophobicContact CG1-CE 4.05Å; I112-M125 HydrophobicContact CG1-CG 4.14Å; I112-M125 HydrophobicContact CG2-CG 4.28Å
113	I	98.8	Very high	97.4	Very high	5 Å²	5	56 Å²	56	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.2	174.5	-59	88.3	0	0	0	108.1	E111 A123 I124 L126 L133 Q136 L151 V153	E111-I113 HydrophobicContact CG-CD1 4.21Å; I113-A123 CarbonylContact O-C 3.57Å; I113-A123 WeakPolarHBondContact O-CA 3.39Å; I113-I124 PolarHBondContact N-O 3.23Å; I113-I124 PolarHBondContact O-N 3.49Å; I113-L126 HydrophobicContact CD1-CD1 3.6Å; I113-L126 HydrophobicContact CD1-CG 3.76Å; I113-L133 HydrophobicContact CD1-CD2 4.5Å; I113-L133 HydrophobicContact CG1-CD2 4.43Å; I113-Q136 HydrophobicContact CG2-CB 4.26Å; I113-Q136 VanDerWaalsContact CG2-OE1 3.31Å; I113-L151 HydrophobicContact CG2-CD1 3.93Å; I113-L151 HydrophobicContact CG2-CD2 4.4Å; I113-V153 HydrophobicContact CB-CG2 4.17Å; I113-V153 HydrophobicContact CG1-CG2 4.38Å; I113-V153 HydrophobicContact CG2-CG2 3.9Å
114	T	98.8	Very high	97.4	Very high	33 Å²	33	56 Å²	56	20%	0.202	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	-177.3	61.2	0	0	0	0	112.1	Y100 I112 H116 F121 A123	Y100-T114 HydrophobicContact CD2-CG2 3.81Å; Y100-T114 HydrophobicContact CE2-CG2 3.92Å; I112-T114 HydrophobicContact CG2-CG2 4.24Å; T114-H116 VanDerWaalsContact C-N 3.32Å; T114-H116 VanDerWaalsContact CB-O 3.23Å; T114-H116 WeakPolarHBondContact CB-O 3.25Å; T114-H116 PolarHBondContact OG1-O 2.76Å; T114-F121 HydrophobicContact CG2-CD2 4.17Å; T114-F121 HydrophobicContact CG2-CE2 3.7Å; T114-A123 HydrophobicContact CG2-CB 4.4Å
115	G	98.3	Very high	97.5	Very high	2 Å²	2	50 Å²	50	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-82.2	-11.7	175	0	0	0	0	0	113.5	T122 N149	G115-T122 PolarHBondContact N-O 2.85Å; G115-N149 PolarHBondContact O-ND2 2.74Å
116	H	97.4	Very high	97.6	Very high	88 Å²	88	44.3 Å²	44.3	41%	0.407	23%	0.227	S	C	.	.			trans	-160.4	175.5	175	-149.8	-100.2	0	0	0	109.4	T114 E118 F121	T114-H116 VanDerWaalsContact C-N 3.32Å; T114-H116 VanDerWaalsContact CB-O 3.23Å; T114-H116 WeakPolarHBondContact CB-O 3.25Å; T114-H116 PolarHBondContact OG1-O 2.76Å; H116-E118 PolarHBondContact ND1-N 2.97Å; H116-E118 VanDerWaalsContact ND1-N 3.18Å; H116-E118 PolarHBondContact ND1-O 3.41Å; H116-F121 HydrophobicContact CB-CB 3.53Å; H116-F121 HydrophobicContact CB-CD1 4.04Å; H116-F121 HydrophobicContact CB-CG 4Å
117	E	94.4	Very high	97.7	Very high	167 Å²	167	39.4 Å²	39.4	78%	0.78	21%	0.209	S	C	*	.	S	Bend	trans	-111.2	-31.9	176.6	-63.7	-177.6	179.1	0	0	112.7
118	E	93.3	Very high	97.9	Very high	145 Å²	145	45 Å²	45	68%	0.678	23%	0.233	S	C	*	.	S	Bend	trans	-113	164.8	-179.4	-60.9	-173	169.5	0	0	112.9	H116	H116-E118 PolarHBondContact ND1-N 2.97Å; H116-E118 VanDerWaalsContact ND1-N 3.18Å; H116-E118 PolarHBondContact ND1-O 3.41Å
119	G	96.8	Very high	97.8	Very high	41 Å²	41	45 Å²	45	42%	0.423	23%	0.233	S	C	.	.	S	Bend	trans	70.8	-132.7	178.9	0	0	0	0	0	111.8	P97	P97-G119 VanDerWaalsContact CD-O 3.3Å; P97-G119 WeakPolarHBondContact CD-O 3.47Å
120	Y	97.9	Very high	97.7	Very high	25 Å²	25	43.2 Å²	43.2	10%	0.098	22%	0.221	C	C	.	.	S	Bend	trans	-119.8	148.4	168.6	73.4	-83.1	0	0	0	109.8	L66 E94 V95 M146 M147 R148 H168	L66-Y120 HydrophobicContact CD1-CD1 4.13Å; L66-Y120 HydrophobicContact CD1-CD2 4.41Å; L66-Y120 HydrophobicContact CD1-CE1 4.28Å; L66-Y120 HydrophobicContact CD1-CG 4.17Å; L66-Y120 HydrophobicContact CD2-CD1 3.82Å; L66-Y120 HydrophobicContact CD2-CG 3.9Å; L66-Y120 HydrophobicContact CG-CD1 4.46Å; L66-Y120 HydrophobicContact CG-CG 4.28Å; E94-Y120 HydrophobicContact CG-CD2 4.18Å; V95-Y120 CarbonylContact O-C 3.53Å; V95-Y120 WeakPolarHBondContact O-CA 3.18Å; Y120-M146 WeakPolarHBondContact OH-CB 3.48Å; Y120-M146 PolarHBondContact OH-O 3.43Å; Y120-M147 HydrophobicContact CD1-CE 3.73Å; Y120-M147 HydrophobicContact CE1-CE 3.67Å; Y120-R148 PolarHBondContact OH-NE 3.31Å; Y120-R148 PolarHBondContact OH-NH2 3.38Å; Y120-R148 VanDerWaalsContact OH-NH2 3.11Å; Y120-H168 AromaticContact CE2-ND1 3.99Å
121	F	98.8	Very high	97.7	Very high	13 Å²	13	43 Å²	43	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	172.2	-171.3	46	-96.9	0	0	0	112.4	E94 V95 P97 T114 H116	E94-F121 PolarHBondContact N-O 3.38Å; V95-F121 HydrophobicContact CB-CD2 3.86Å; V95-F121 HydrophobicContact CB-CE2 3.79Å; V95-F121 WeakPolarHBondContact CB-O 3.4Å; V95-F121 HydrophobicContact CG1-CD2 4.16Å; V95-F121 HydrophobicContact CG1-CE2 3.55Å; V95-F121 HydrophobicContact CG1-CZ 4.13Å; V95-F121 PolarHBondContact N-O 3.32Å; V95-F121 PolarHBondContact O-N 2.95Å; P97-F121 HydrophobicContact CG-CE1 4.16Å; T114-F121 HydrophobicContact CG2-CD2 4.17Å; T114-F121 HydrophobicContact CG2-CE2 3.7Å; H116-F121 HydrophobicContact CB-CB 3.53Å; H116-F121 HydrophobicContact CB-CD1 4.04Å; H116-F121 HydrophobicContact CB-CG 4Å
122	T	98.9	Very high	97.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	157.7	170.3	58.1	0	0	0	0	110.9	L92 Q93 G115 T166 H168	L92-T122 CarbonylContact O-C 3.55Å; L92-T122 WeakPolarHBondContact O-CA 3.37Å; L92-T122 WeakPolarHBondContact O-CB 3.46Å; Q93-T122 HydrophobicContact CB-CG2 4.47Å; Q93-T122 HydrophobicContact CG-CG2 4.02Å; G115-T122 PolarHBondContact N-O 2.85Å; T122-T166 HydrophobicContact CG2-CG2 4.45Å; T122-H168 HydrophobicContact CG2-CB 4.18Å
123	A	98.9	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.5	169.7	0	0	0	0	0	111.3	L92 V95 I112 I113 T114	L92-A123 PolarHBondContact N-O 3.37Å; L92-A123 PolarHBondContact O-N 3.16Å; V95-A123 HydrophobicContact CG2-CB 3.95Å; I112-A123 HydrophobicContact CG2-CB 4.21Å; I113-A123 CarbonylContact O-C 3.57Å; I113-A123 WeakPolarHBondContact O-CA 3.39Å; T114-A123 HydrophobicContact CG2-CB 4.4Å
124	I	98.9	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.8	166	-62.4	-175.5	0	0	0	107.6	V89 I90 F91 I113 L126 L151 V153 L164 T166	V89-I124 HydrophobicContact CG1-CG2 4.1Å; I90-I124 CarbonylContact O-C 3.5Å; I90-I124 VanDerWaalsContact O-CA 3.3Å; I90-I124 WeakPolarHBondContact O-CA 3.38Å; F91-I124 HydrophobicContact CD1-CD1 3.94Å; F91-I124 HydrophobicContact CD1-CG1 3.82Å; F91-I124 HydrophobicContact CE1-CD1 3.92Å; F91-I124 HydrophobicContact CE1-CG1 4.26Å; I113-I124 PolarHBondContact N-O 3.23Å; I113-I124 PolarHBondContact O-N 3.49Å; I124-L126 HydrophobicContact CG2-CD2 3.59Å; I124-L126 HydrophobicContact CG2-CG 4.37Å; I124-L151 HydrophobicContact CB-CD2 4.33Å; I124-L151 HydrophobicContact CD1-CD2 4.23Å; I124-L151 HydrophobicContact CD1-CG 4.1Å; I124-L151 HydrophobicContact CG1-CD2 3.8Å; I124-L151 HydrophobicContact CG1-CG 4.24Å; I124-V153 HydrophobicContact CB-CG2 4.23Å; I124-V153 HydrophobicContact CD1-CB 4.11Å; I124-V153 HydrophobicContact CD1-CG2 3.81Å; I124-V153 HydrophobicContact CG1-CG2 4.46Å; I124-V153 HydrophobicContact CG2-CG2 4.46Å; I124-L164 HydrophobicContact CD1-CB 4.3Å; I124-T166 HydrophobicContact CD1-CG2 3.95Å; I124-T166 HydrophobicContact CG1-CG2 3.61Å
125	M	98.9	Very high	97.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.2	174.7	-45.1	173.9	56.9	0	0	109.7	L82 V89 I90 L92 L103 Y110 E111 I112	L82-M125 HydrophobicContact CD1-SD 4.4Å; V89-M125 CarbonylContact C-O 3.52Å; V89-M125 WeakPolarHBondContact CA-O 3.38Å; I90-M125 HydrophobicContact CB-CB 3.97Å; I90-M125 HydrophobicContact CB-CG 4.26Å; I90-M125 HydrophobicContact CB-SD 4.27Å; I90-M125 HydrophobicContact CD1-CB 4.12Å; I90-M125 HydrophobicContact CD1-CE 4.25Å; I90-M125 HydrophobicContact CD1-SD 4.02Å; I90-M125 HydrophobicContact CG1-CB 4.45Å; I90-M125 HydrophobicContact CG2-SD 4.32Å; I90-M125 PolarHBondContact N-O 2.91Å; I90-M125 PolarHBondContact O-N 2.97Å; L92-M125 HydrophobicContact CD1-SD 3.82Å; L103-M125 HydrophobicContact CD2-CE 4.32Å; L103-M125 HydrophobicContact CD2-SD 4.16Å; Y110-M125 HydrophobicContact CD1-CB 3.92Å; Y110-M125 HydrophobicContact CD2-CE 4.38Å; Y110-M125 HydrophobicContact CG-CB 4.2Å; Y110-M125 HydrophobicContact CG-CE 4.09Å; E111-M125 CarbonylContact O-C 3.51Å; E111-M125 VanDerWaalsContact O-CA 3.23Å; E111-M125 WeakPolarHBondContact O-CA 3.46Å; I112-M125 HydrophobicContact CD1-CE 3.99Å; I112-M125 HydrophobicContact CG1-CE 4.05Å; I112-M125 HydrophobicContact CG1-CG 4.14Å; I112-M125 HydrophobicContact CG2-CG 4.28Å
126	L	98.8	Very high	97.6	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.9	-176.1	-52.8	-179.1	0	0	0	110.2	V89 Y110 E111 I113 I124 K128 V131 L133 V153 V155 L164	V89-L126 HydrophobicContact CG1-CD2 4.43Å; V89-L126 HydrophobicContact CG2-CD2 4.25Å; Y110-L126 CarbonylContact C-O 3.48Å; Y110-L126 VanDerWaalsContact CA-O 3.23Å; Y110-L126 WeakPolarHBondContact CA-O 3.29Å; Y110-L126 VanDerWaalsContact CD1-C 3.45Å; E111-L126 HydrophobicContact CB-CB 4.47Å; E111-L126 PolarHBondContact N-O 3.14Å; E111-L126 PolarHBondContact O-N 2.8Å; I113-L126 HydrophobicContact CD1-CD1 3.6Å; I113-L126 HydrophobicContact CD1-CG 3.76Å; I124-L126 HydrophobicContact CG2-CD2 3.59Å; I124-L126 HydrophobicContact CG2-CG 4.37Å; L126-K128 PolarHBondContact O-N 2.64Å; L126-K128 VanDerWaalsContact O-N 3.16Å; L126-V131 HydrophobicContact CB-CB 4.15Å; L126-V131 HydrophobicContact CB-CG1 4.12Å; L126-V131 HydrophobicContact CD1-CG1 4.32Å; L126-V131 HydrophobicContact CD2-CG1 3.97Å; L126-V131 HydrophobicContact CG-CG1 4.37Å; L126-L133 HydrophobicContact CD1-CB 4.01Å; L126-L133 HydrophobicContact CD1-CD1 4.09Å; L126-V153 HydrophobicContact CD1-CG1 4.03Å; L126-V155 HydrophobicContact CD1-CG1 3.79Å; L126-V155 HydrophobicContact CD2-CG1 4.13Å; L126-L164 HydrophobicContact CD2-CD1 3.72Å
127	K	98.5	Very high	97.6	Very high	25 Å²	25	58.7 Å²	58.7	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	113	178.3	-173.1	167.8	175.9	171.7	0	109.9	E51 S86 D88 Y110 S129 R130 V131	E51-K127 IonicContact OE1-NZ 2.99Å; S86-K127 PolarHBondContact O-NZ 2.82Å; S86-K127 PolarHBondContact OG-NZ 3.32Å; D88-K127 WeakPolarHBondContact O-CB 3.26Å; D88-K127 PolarHBondContact O-N 3.26Å; Y110-K127 HydrophobicContact CD1-CB 4.12Å; Y110-K127 HydrophobicContact CE1-CB 3.66Å; Y110-K127 HydrophobicContact CE1-CG 4.34Å; K127-S129 PolarHBondContact O-N 2.98Å; K127-S129 VanDerWaalsContact O-N 3.12Å; K127-R130 PolarHBondContact O-N 3.47Å; K127-V131 PolarHBondContact O-N 2.91Å
128	K	97.9	Very high	97.9	Very high	125 Å²	125	54.3 Å²	54.3	54%	0.543	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.9	-170.6	-71.5	172.9	176.4	165	0	113.9	S108 N109 Y110 E111 L126 R130	S108-K128 PolarHBondContact O-NZ 3.48Å; N109-K128 WeakPolarHBondContact O-CB 3.07Å; N109-K128 WeakPolarHBondContact O-CG 3.49Å; N109-K128 PolarHBondContact O-N 2.92Å; Y110-K128 VanDerWaalsContact O-CE 3.29Å; Y110-K128 WeakPolarHBondContact O-CE 3.43Å; E111-K128 HydrophobicContact CB-CG 4.31Å; L126-K128 PolarHBondContact O-N 2.64Å; L126-K128 VanDerWaalsContact O-N 3.16Å; K128-R130 VanDerWaalsContact C-N 3.3Å; K128-R130 PolarHBondContact O-N 2.84Å
129	S	95.9	Very high	98.1	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.6	179.5	54.6	0	0	0	0	113.5	E51 K127	E51-S129 PolarHBondContact OE1-OG 2.92Å; E51-S129 VanDerWaalsContact OE1-OG 3.1Å; K127-S129 PolarHBondContact O-N 2.98Å; K127-S129 VanDerWaalsContact O-N 3.12Å
130	R	95.1	Very high	98.2	Very high	35 Å²	35	51 Å²	51	13%	0.132	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-32.8	-166.5	-68.5	178.2	70.7	84.2	-10.2	114.6	E51 N52 M55 D88 K127 K128	E51-R130 WeakPolarHBondContact OE2-CD 3.46Å; E51-R130 WeakPolarHBondContact OE2-CG 3.39Å; E51-R130 IonicContact OE2-CZ 2.68Å; E51-R130 IonicContact OE2-NE 3.85Å; E51-R130 IonicContact OE2-NH1 3.98Å; E51-R130 PolarHBondContact OE2-NH1 2.83Å; N52-R130 PolarHBondContact O-NH2 2.73Å; M55-R130 PolarHBondContact O-NH2 3.27Å; D88-R130 WeakPolarHBondContact OD1-CD 3.23Å; D88-R130 IonicContact OD1-CZ 2.84Å; D88-R130 IonicContact OD1-NE 3.85Å; D88-R130 PolarHBondContact OD1-NE 3.33Å; K127-R130 PolarHBondContact O-N 3.47Å; K128-R130 VanDerWaalsContact C-N 3.3Å; K128-R130 PolarHBondContact O-N 2.84Å
131	V	97.4	Very high	98.2	Very high	4 Å²	4	50 Å²	50	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.1	-169.5	-172.4	0	0	0	0	110.2	D88 V89 L126 K127 V155 V157	D88-V131 HydrophobicContact CB-CG2 4.04Å; D88-V131 WeakPolarHBondContact O-CG2 3.34Å; V89-V131 HydrophobicContact CG2-CG2 4.26Å; L126-V131 HydrophobicContact CB-CB 4.15Å; L126-V131 HydrophobicContact CB-CG1 4.12Å; L126-V131 HydrophobicContact CD1-CG1 4.32Å; L126-V131 HydrophobicContact CD2-CG1 3.97Å; L126-V131 HydrophobicContact CG-CG1 4.37Å; K127-V131 PolarHBondContact O-N 2.91Å; V131-V155 HydrophobicContact CG1-CB 3.67Å; V131-V155 HydrophobicContact CG1-CG1 3.79Å; V131-V155 HydrophobicContact CG1-CG2 3.77Å; V131-V157 HydrophobicContact CB-CG2 4.37Å; V131-V157 HydrophobicContact CG1-CG2 3.97Å; V131-V157 HydrophobicContact CG2-CG2 4.04Å
132	K	97.9	Very high	98.2	Very high	148 Å²	148	54.8 Å²	54.8	64%	0.643	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.4	-178.9	-64.8	177.5	-177.6	173.9	0	110.2	V155 N156	K132-V155 CarbonylContact O-C 3.51Å; K132-V155 WeakPolarHBondContact O-CA 3.27Å; K132-V155 WeakPolarHBondContact O-CB 3.47Å; K132-N156 HydrophobicContact CB-CB 4.44Å; K132-N156 PolarHBondContact N-O 3.04Å; K132-N156 PolarHBondContact O-N 2.59Å
133	L	98.6	Very high	98.1	Very high	54 Å²	54	58.2 Å²	58.2	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.9	173	179.5	62.4	0	0	0	111	E111 I113 L126 V153	E111-L133 WeakPolarHBondContact OE1-CD2 3.43Å; I113-L133 HydrophobicContact CD1-CD2 4.5Å; I113-L133 HydrophobicContact CG1-CD2 4.43Å; L126-L133 HydrophobicContact CD1-CB 4.01Å; L126-L133 HydrophobicContact CD1-CD1 4.09Å; L133-V153 HydrophobicContact CD1-CG1 3.36Å
134	K	98.4	Very high	98.1	Very high	121 Å²	121	59.8 Å²	59.8	53%	0.526	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-50.1	170.7	-68.6	-167.7	170.9	-175.3	0	112.3	H154 E161	K134-H154 HydrophobicContact CB-CB 4.4Å; K134-H154 WeakPolarHBondContact CB-O 3.27Å; K134-H154 PolarHBondContact N-O 3.25Å; K134-E161 WeakPolarHBondContact CE-OE1 3.48Å; K134-E161 WeakPolarHBondContact CE-OE2 3.2Å; K134-E161 IonicContact NZ-OE1 3.13Å; K134-E161 PolarHBondContact NZ-OE1 2.85Å; K134-E161 IonicContact NZ-OE2 3.4Å; K134-E161 PolarHBondContact NZ-OE2 3.37Å
135	S	98.5	Very high	98	Very high	59 Å²	59	67 Å²	67	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	166.4	-179.4	62.9	0	0	0	0	111	H154	S135-H154 PolarHBondContact N-O 3.1Å; S135-H154 PolarHBondContact O-N 3.41Å; S135-H154 WeakPolarHBondContact OG-CB 3.47Å; S135-H154 PolarHBondContact OG-CD2 3.21Å
136	Q	98.4	Very high	98	Very high	106 Å²	106	67.8 Å²	67.8	50%	0.495	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.7	175.3	64.9	-178.4	60.8	0	0	110.3	I113 C152 V153	I113-Q136 HydrophobicContact CG2-CB 4.26Å; I113-Q136 VanDerWaalsContact CG2-OE1 3.31Å; Q136-C152 CarbonylContact C-O 3.54Å; Q136-C152 VanDerWaalsContact CA-O 3.31Å; Q136-C152 WeakPolarHBondContact CA-O 3.44Å; Q136-V153 HydrophobicContact CB-CG2 4.25Å
137	E	98.3	Very high	97.9	Very high	77 Å²	77	72.7 Å²	72.7	36%	0.36	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.6	178.1	-177.5	-171.8	172.5	0	0	109	I139 C152 K189	E137-I139 HydrophobicContact CG-CG1 4.1Å; E137-I139 WeakPolarHBondContact OE1-CG1 3.49Å; E137-C152 HydrophobicContact CB-CB 4.26Å; E137-C152 PolarHBondContact N-O 2.78Å; E137-C152 PolarHBondContact O-N 2.88Å; E137-K189 IonicContact OE1-NZ 3.91Å; E137-K189 PolarHBondContact OE1-NZ 2.61Å; E137-K189 WeakPolarHBondContact OE2-CE 3.43Å; E137-K189 IonicContact OE2-NZ 2.85Å; E137-K189 PolarHBondContact OE2-NZ 2.8Å
138	I	98.8	Very high	97.9	Very high	75 Å²	75	72.2 Å²	72.2	39%	0.385	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120	171.8	-61.8	167.6	0	0	0	107.6	N149 L151	I138-N149 HydrophobicContact CG2-CB 3.93Å; I138-L151 HydrophobicContact CG1-CD1 3.88Å
139	I	98.8	Very high	97.9	Very high	30 Å²	30	67.1 Å²	67.1	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.2	179	-61.3	162.5	0	0	0	108.2	E137 N149 L150 M185 K189	E137-I139 HydrophobicContact CG-CG1 4.1Å; E137-I139 WeakPolarHBondContact OE1-CG1 3.49Å; I139-N149 WeakPolarHBondContact O-CA 3.35Å; I139-N149 WeakPolarHBondContact O-CB 3.3Å; I139-L150 HydrophobicContact CB-CB 4.22Å; I139-L150 HydrophobicContact CD1-CD2 4.08Å; I139-L150 PolarHBondContact N-O 3.02Å; I139-L150 PolarHBondContact O-N 2.8Å; I139-M185 HydrophobicContact CG2-CE 4.21Å; I139-K189 HydrophobicContact CD1-CB 4.39Å; I139-K189 HydrophobicContact CD1-CD 3.46Å; I139-K189 VanDerWaalsContact CD1-CD 3.46Å; I139-K189 HydrophobicContact CD1-CG 3.62Å
140	P	98.6	Very high	98.1	Very high	86 Å²	86	63.4 Å²	63.4	56%	0.558	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	149.3	-180	29.4	-34.6	0	0	0	111.1	P142 M185	P140-P142 WeakPolarHBondContact O-CD 3.26Å; P140-M185 WeakPolarHBondContact O-CE 3.22Å
141	F	98.8	Very high	98.3	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	32%	0.322	C	S	.	.			trans	-99.1	100.2	162.7	-61.6	-33.6	0	0	0	108.8	S143 T144 R148 N149 L150 S167 L169 Q182 M185 V186	F141-S143 PolarHBondContact O-N 3.29Å; F141-T144 HydrophobicContact CB-CG2 4.48Å; F141-T144 WeakPolarHBondContact O-CG2 3.4Å; F141-T144 PolarHBondContact O-N 3.24Å; F141-T144 VanDerWaalsContact O-N 3.11Å; F141-R148 HydrophobicContact CD2-CB 3.7Å; F141-R148 HydrophobicContact CE2-CB 4.28Å; F141-N149 WeakPolarHBondContact CE2-O 3.5Å; F141-L150 HydrophobicContact CE1-CB 3.94Å; F141-L150 HydrophobicContact CZ-CB 3.78Å; F141-S167 VanDerWaalsContact CE2-OG 3.25Å; F141-S167 WeakPolarHBondContact CE2-OG 3.19Å; F141-L169 HydrophobicContact CE2-CD2 3.98Å; F141-L169 HydrophobicContact CZ-CD2 4.14Å; F141-Q182 HydrophobicContact CB-CG 4.07Å; F141-Q182 HydrophobicContact CD1-CB 4.42Å; F141-Q182 HydrophobicContact CD1-CG 4.1Å; F141-Q182 HydrophobicContact CD2-CB 4.11Å; F141-Q182 VanDerWaalsContact CD2-CD 3.45Å; F141-Q182 HydrophobicContact CD2-CG 3.56Å; F141-Q182 HydrophobicContact CE1-CB 4.25Å; F141-Q182 HydrophobicContact CE1-CG 4.41Å; F141-Q182 HydrophobicContact CE2-CB 3.91Å; F141-Q182 HydrophobicContact CE2-CG 3.9Å; F141-Q182 HydrophobicContact CG-CB 4.36Å; F141-Q182 HydrophobicContact CG-CG 3.67Å; F141-Q182 HydrophobicContact CZ-CB 3.99Å; F141-Q182 HydrophobicContact CZ-CG 4.32Å; F141-M185 HydrophobicContact CD1-CE 3.8Å; F141-M185 HydrophobicContact CD1-SD 3.81Å; F141-M185 HydrophobicContact CE1-CB 4.18Å; F141-M185 HydrophobicContact CE1-CE 4.27Å; F141-M185 HydrophobicContact CE1-SD 4.3Å; F141-V186 HydrophobicContact CZ-CG2 4.22Å
142	P	97.6	Very high	98.3	Very high	113 Å²	113	61.5 Å²	61.5	73%	0.734	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22	-166.7	-24.2	35.2	0	0	0	114.6	P140	P140-P142 WeakPolarHBondContact O-CD 3.26Å
143	S	97.8	Very high	98.4	Very high	79 Å²	79	54.5 Å²	54.5	55%	0.552	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	3.1	-176.8	-64.8	0	0	0	0	113.7	F141 E178	F141-S143 PolarHBondContact O-N 3.29Å; S143-E178 WeakPolarHBondContact CB-OE2 3.44Å
144	T	98.1	Very high	98.4	Very high	34 Å²	34	54 Å²	54	21%	0.209	29%	0.287	C	S	.	.			trans	-62.6	143.4	176.9	-171.9	0	0	0	0	111.2	F141 M146 R148 E170 E178	F141-T144 HydrophobicContact CB-CG2 4.48Å; F141-T144 WeakPolarHBondContact O-CG2 3.4Å; F141-T144 PolarHBondContact O-N 3.24Å; F141-T144 VanDerWaalsContact O-N 3.11Å; T144-M146 PolarHBondContact OG1-N 3.14Å; T144-M146 VanDerWaalsContact OG1-N 3.1Å; T144-R148 WeakPolarHBondContact OG1-CB 3.36Å; T144-R148 WeakPolarHBondContact OG1-CG 3.15Å; T144-R148 PolarHBondContact OG1-N 3.42Å; T144-E170 WeakPolarHBondContact CB-OE2 3.36Å; T144-E170 PolarHBondContact OG1-OE2 3.2Å; T144-E178 PolarHBondContact N-OE1 3.11Å
145	K	97.9	Very high	98.4	Very high	152 Å²	152	48.2 Å²	48.2	66%	0.661	26%	0.261	S	S	*	.	S	Bend	trans	-108.9	7.6	169.3	-62.1	-176.8	-179.4	180	0	111.9	E170	K145-E170 PolarHBondContact N-OE1 2.87Å
146	M	97.6	Very high	98.2	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.074	25%	0.249	C	C	.	.	S	Bend	trans	-131.5	21.9	-169.9	-61.7	-177.3	-167.2	0	0	111.6	Y120 T144 R148 E170 H175	Y120-M146 WeakPolarHBondContact OH-CB 3.48Å; Y120-M146 PolarHBondContact OH-O 3.43Å; T144-M146 PolarHBondContact OG1-N 3.14Å; T144-M146 VanDerWaalsContact OG1-N 3.1Å; M146-R148 HydrophobicContact CB-CG 3.95Å; M146-R148 VanDerWaalsContact CB-NE 3.28Å; M146-R148 WeakPolarHBondContact O-CD 3.39Å; M146-R148 PolarHBondContact O-N 3.18Å; M146-R148 PolarHBondContact O-NE 2.89Å; M146-R148 PolarHBondContact SD-NH2 3.26Å; M146-E170 HydrophobicContact CE-CG 4.29Å; M146-E170 VanDerWaalsContact CG-OE1 3.3Å; M146-E170 WeakPolarHBondContact CG-OE1 3.12Å; M146-E170 PolarHBondContact N-OE1 3.4Å; M146-E170 HydrophobicContact SD-CG 4.21Å; M146-H175 WeakPolarHBondContact CE-ND1 3.45Å
147	M	97.1	Very high	97.9	Very high	105 Å²	105	41.7 Å²	41.7	52%	0.517	23%	0.225	S	C	.	.			trans	58.9	31.3	178.5	-52.2	-179.5	-62.6	0	0	113.7	Y120	Y120-M147 HydrophobicContact CD1-CE 3.73Å; Y120-M147 HydrophobicContact CE1-CE 3.67Å
148	R	98.5	Very high	97.4	Very high	15 Å²	15	40.9 Å²	40.9	6%	0.057	23%	0.228	C	C	.	.			trans	-80.1	147	-176.7	-51.2	-47.7	177.4	69.8	-3.5	111.8	Y120 F141 T144 M146 H168 L169 S171	Y120-R148 PolarHBondContact OH-NE 3.31Å; Y120-R148 PolarHBondContact OH-NH2 3.38Å; Y120-R148 VanDerWaalsContact OH-NH2 3.11Å; F141-R148 HydrophobicContact CD2-CB 3.7Å; F141-R148 HydrophobicContact CE2-CB 4.28Å; T144-R148 WeakPolarHBondContact OG1-CB 3.36Å; T144-R148 WeakPolarHBondContact OG1-CG 3.15Å; T144-R148 PolarHBondContact OG1-N 3.42Å; M146-R148 HydrophobicContact CB-CG 3.95Å; M146-R148 VanDerWaalsContact CB-NE 3.28Å; M146-R148 WeakPolarHBondContact O-CD 3.39Å; M146-R148 PolarHBondContact O-N 3.18Å; M146-R148 PolarHBondContact O-NE 2.89Å; M146-R148 PolarHBondContact SD-NH2 3.26Å; R148-H168 WeakPolarHBondContact CD-O 3.36Å; R148-H168 WeakPolarHBondContact CG-O 3.38Å; R148-H168 PolarHBondContact NH1-CD2 3.33Å; R148-H168 PolarHBondContact NH1-NE2 3.35Å; R148-H168 PolarHBondContact NH1-O 3.41Å; R148-H168 PolarHBondContact NH2-CE1 2.97Å; R148-H168 PolarHBondContact NH2-NE2 3.42Å; R148-L169 PolarHBondContact NH1-O 3.09Å; R148-S171 PolarHBondContact NH1-OG 2.85Å; R148-S171 PolarHBondContact NH2-OG 2.87Å
149	N	98.9	Very high	96.9	Very high	18 Å²	18	40.1 Å²	40.1	10%	0.096	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	174.9	173	63	40.4	0	0	0	110.1	G115 I138 I139 F141 S167	G115-N149 PolarHBondContact O-ND2 2.74Å; I138-N149 HydrophobicContact CG2-CB 3.93Å; I139-N149 WeakPolarHBondContact O-CA 3.35Å; I139-N149 WeakPolarHBondContact O-CB 3.3Å; F141-N149 WeakPolarHBondContact CE2-O 3.5Å; N149-S167 WeakPolarHBondContact O-CB 3.2Å; N149-S167 PolarHBondContact O-OG 3.47Å
150	L	98.9	Very high	96.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	169.2	175	62.8	0	0	0	108.5	I139 F141 M165 V186 K189 F201	I139-L150 HydrophobicContact CB-CB 4.22Å; I139-L150 HydrophobicContact CD1-CD2 4.08Å; I139-L150 PolarHBondContact N-O 3.02Å; I139-L150 PolarHBondContact O-N 2.8Å; F141-L150 HydrophobicContact CE1-CB 3.94Å; F141-L150 HydrophobicContact CZ-CB 3.78Å; L150-M165 HydrophobicContact CD1-CB 4.05Å; L150-V186 HydrophobicContact CD1-CG2 4.03Å; L150-V186 HydrophobicContact CD2-CG2 4.14Å; L150-K189 HydrophobicContact CD2-CB 3.97Å; L150-K189 HydrophobicContact CD2-CG 4.08Å; L150-F201 HydrophobicContact CD1-CD2 4.14Å; L150-F201 HydrophobicContact CD1-CE2 4.07Å
151	L	98.9	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.6	173.1	171.7	61.5	0	0	0	108.8	I113 I124 I138 V153 M165 T166	I113-L151 HydrophobicContact CG2-CD1 3.93Å; I113-L151 HydrophobicContact CG2-CD2 4.4Å; I124-L151 HydrophobicContact CB-CD2 4.33Å; I124-L151 HydrophobicContact CD1-CD2 4.23Å; I124-L151 HydrophobicContact CD1-CG 4.1Å; I124-L151 HydrophobicContact CG1-CD2 3.8Å; I124-L151 HydrophobicContact CG1-CG 4.24Å; I138-L151 HydrophobicContact CG1-CD1 3.88Å; L151-V153 HydrophobicContact CD1-CG2 4.25Å; L151-V153 HydrophobicContact CG-CG2 4.4Å; L151-M165 CarbonylContact O-C 3.59Å; L151-M165 VanDerWaalsContact O-CA 3.31Å; L151-M165 WeakPolarHBondContact O-CA 3.22Å; L151-T166 HydrophobicContact CB-CG2 4.08Å; L151-T166 HydrophobicContact CD2-CG2 4.17Å; L151-T166 HydrophobicContact CG-CG2 4.44Å; L151-T166 PolarHBondContact N-O 3.02Å; L151-T166 PolarHBondContact O-N 3.1Å
152	C	98.9	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.3	176.9	-60.7	0	0	0	0	110	Q136 E137 L164 M165	Q136-C152 CarbonylContact C-O 3.54Å; Q136-C152 VanDerWaalsContact CA-O 3.31Å; Q136-C152 WeakPolarHBondContact CA-O 3.44Å; E137-C152 HydrophobicContact CB-CB 4.26Å; E137-C152 PolarHBondContact N-O 2.78Å; E137-C152 PolarHBondContact O-N 2.88Å; C152-L164 CarbonylContact C-O 3.49Å; C152-L164 WeakPolarHBondContact CA-O 3.43Å; C152-M165 HydrophobicContact CB-CG 4.46Å
153	V	98.8	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.2	178.8	178.5	0	0	0	0	108.7	I113 I124 L126 L133 Q136 L151 V155 L164	I113-V153 HydrophobicContact CB-CG2 4.17Å; I113-V153 HydrophobicContact CG1-CG2 4.38Å; I113-V153 HydrophobicContact CG2-CG2 3.9Å; I124-V153 HydrophobicContact CB-CG2 4.23Å; I124-V153 HydrophobicContact CD1-CB 4.11Å; I124-V153 HydrophobicContact CD1-CG2 3.81Å; I124-V153 HydrophobicContact CG1-CG2 4.46Å; I124-V153 HydrophobicContact CG2-CG2 4.46Å; L126-V153 HydrophobicContact CD1-CG1 4.03Å; L133-V153 HydrophobicContact CD1-CG1 3.36Å; Q136-V153 HydrophobicContact CB-CG2 4.25Å; L151-V153 HydrophobicContact CD1-CG2 4.25Å; L151-V153 HydrophobicContact CG-CG2 4.4Å; V153-V155 HydrophobicContact CG1-CG1 3.73Å; V153-L164 HydrophobicContact CB-CB 4.48Å; V153-L164 PolarHBondContact N-O 2.8Å; V153-L164 WeakPolarHBondContact O-CB 3.28Å; V153-L164 PolarHBondContact O-N 3.39Å
154	H	98.6	Very high	96.3	Very high	44 Å²	44	29.3 Å²	29.3	20%	0.204	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.3	177.2	-64.8	-94.5	0	0	0	109.4	K134 S135 L162 C163	K134-H154 HydrophobicContact CB-CB 4.4Å; K134-H154 WeakPolarHBondContact CB-O 3.27Å; K134-H154 PolarHBondContact N-O 3.25Å; S135-H154 PolarHBondContact N-O 3.1Å; S135-H154 PolarHBondContact O-N 3.41Å; S135-H154 WeakPolarHBondContact OG-CB 3.47Å; S135-H154 PolarHBondContact OG-CD2 3.21Å; H154-L162 WeakPolarHBondContact CA-O 3.37Å; H154-C163 PolarHBondContact CE1-SG 3.15Å
155	V	98.2	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.3	-175	-52.9	0	0	0	0	111.8	L126 V131 K132 V153 V157 L162 L164	L126-V155 HydrophobicContact CD1-CG1 3.79Å; L126-V155 HydrophobicContact CD2-CG1 4.13Å; V131-V155 HydrophobicContact CG1-CB 3.67Å; V131-V155 HydrophobicContact CG1-CG1 3.79Å; V131-V155 HydrophobicContact CG1-CG2 3.77Å; K132-V155 CarbonylContact O-C 3.51Å; K132-V155 WeakPolarHBondContact O-CA 3.27Å; K132-V155 WeakPolarHBondContact O-CB 3.47Å; V153-V155 HydrophobicContact CG1-CG1 3.73Å; V155-V157 HydrophobicContact CG2-CG2 4.08Å; V155-L162 HydrophobicContact CG2-CB 3.74Å; V155-L162 PolarHBondContact N-O 3.07Å; V155-L162 PolarHBondContact O-N 3.18Å; V155-L164 HydrophobicContact CB-CD1 4.46Å; V155-L164 HydrophobicContact CG1-CD1 3.84Å; V155-L164 HydrophobicContact CG2-CD1 3.68Å; V155-L164 HydrophobicContact CG2-CG 4.02Å
156	N	95.1	Very high	96.4	Very high	27 Å²	27	20.5 Å²	20.5	14%	0.144	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.3	163.1	-175.7	-86.4	0	0	0	110.2	K132 G159 N160 E161	K132-N156 HydrophobicContact CB-CB 4.44Å; K132-N156 PolarHBondContact N-O 3.04Å; K132-N156 PolarHBondContact O-N 2.59Å; N156-G159 VanDerWaalsContact ND2-C 3.31Å; N156-G159 PolarHBondContact ND2-O 2.8Å; N156-G159 PolarHBondContact OD1-N 3.26Å; N156-G159 VanDerWaalsContact OD1-N 3.13Å; N156-N160 VanDerWaalsContact CA-O 3.32Å; N156-N160 WeakPolarHBondContact CA-O 3.23Å; N156-E161 PolarHBondContact ND2-OE1 3.09Å
157	V	92.7	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.8	174.8	-175.4	0	0	0	0	108.3	F56 V131 V155 G159 N160 L162 I302	F56-V157 HydrophobicContact CD2-CG1 3.96Å; F56-V157 HydrophobicContact CE2-CG1 4.28Å; F56-V157 HydrophobicContact CE2-CG2 4.01Å; V131-V157 HydrophobicContact CB-CG2 4.37Å; V131-V157 HydrophobicContact CG1-CG2 3.97Å; V131-V157 HydrophobicContact CG2-CG2 4.04Å; V155-V157 HydrophobicContact CG2-CG2 4.08Å; V157-G159 PolarHBondContact O-N 3.33Å; V157-G159 VanDerWaalsContact O-N 3.11Å; V157-N160 PolarHBondContact N-O 2.74Å; V157-N160 WeakPolarHBondContact O-CB 3.4Å; V157-N160 PolarHBondContact O-N 3.01Å; V157-L162 HydrophobicContact CB-CD1 4.33Å; V157-L162 HydrophobicContact CG2-CD1 4.38Å; V157-L162 HydrophobicContact CG2-CD2 4.32Å; V157-I302 HydrophobicContact CG1-CD1 3.86Å
158	S	87.8	Confident	96.6	Very high	60 Å²	60	15 Å²	15	42%	0.42	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	40.8	179.9	-56.6	0	0	0	0	113.6	N160	S158-N160 VanDerWaalsContact C-N 3.32Å; S158-N160 PolarHBondContact O-N 2.8Å; S158-N160 PolarHBondContact O-ND2 2.87Å
159	G	88.2	Confident	96.6	Very high	59 Å²	59	14.3 Å²	14.3	61%	0.608	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-12.4	-178.5	0	0	0	0	0	115.3	N156 V157	N156-G159 VanDerWaalsContact ND2-C 3.31Å; N156-G159 PolarHBondContact ND2-O 2.8Å; N156-G159 PolarHBondContact OD1-N 3.26Å; N156-G159 VanDerWaalsContact OD1-N 3.13Å; V157-G159 PolarHBondContact O-N 3.33Å; V157-G159 VanDerWaalsContact O-N 3.11Å
160	N	90.8	Very high	96.6	Very high	23 Å²	23	13.4 Å²	13.4	12%	0.123	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.5	178.1	-67.1	-96.8	0	0	0	111.4	N156 V157 S158 L162 I271 I302	N156-N160 VanDerWaalsContact CA-O 3.32Å; N156-N160 WeakPolarHBondContact CA-O 3.23Å; V157-N160 PolarHBondContact N-O 2.74Å; V157-N160 WeakPolarHBondContact O-CB 3.4Å; V157-N160 PolarHBondContact O-N 3.01Å; S158-N160 VanDerWaalsContact C-N 3.32Å; S158-N160 PolarHBondContact O-N 2.8Å; S158-N160 PolarHBondContact O-ND2 2.87Å; N160-L162 HydrophobicContact CB-CD1 3.75Å; N160-L162 VanDerWaalsContact O-CD1 3.32Å; N160-L162 WeakPolarHBondContact O-CD1 3.14Å; N160-I271 HydrophobicContact CB-CD1 4.41Å; N160-I302 WeakPolarHBondContact ND2-CG2 3.39Å
161	E	94.4	Very high	96.5	Very high	61 Å²	61	14.1 Å²	14.1	29%	0.285	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.8	175.3	-63.9	-60.7	130.1	0	0	110.8	K134 N156 A197 T198	K134-E161 WeakPolarHBondContact CE-OE1 3.48Å; K134-E161 WeakPolarHBondContact CE-OE2 3.2Å; K134-E161 IonicContact NZ-OE1 3.13Å; K134-E161 PolarHBondContact NZ-OE1 2.85Å; K134-E161 IonicContact NZ-OE2 3.4Å; K134-E161 PolarHBondContact NZ-OE2 3.37Å; N156-E161 PolarHBondContact ND2-OE1 3.09Å; E161-A197 HydrophobicContact CB-CB 4.14Å; E161-A197 WeakPolarHBondContact O-CA 3.44Å; E161-T198 PolarHBondContact O-N 2.81Å
162	L	96.5	Very high	96.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.6	179.2	-73.7	69.7	0	0	0	111.1	F56 H154 V155 V157 N160 L164 T198 I200 I271	F56-L162 HydrophobicContact CE1-CD2 4Å; F56-L162 HydrophobicContact CE2-CD2 4.32Å; F56-L162 HydrophobicContact CZ-CD2 3.79Å; H154-L162 WeakPolarHBondContact CA-O 3.37Å; V155-L162 HydrophobicContact CG2-CB 3.74Å; V155-L162 PolarHBondContact N-O 3.07Å; V155-L162 PolarHBondContact O-N 3.18Å; V157-L162 HydrophobicContact CB-CD1 4.33Å; V157-L162 HydrophobicContact CG2-CD1 4.38Å; V157-L162 HydrophobicContact CG2-CD2 4.32Å; N160-L162 HydrophobicContact CB-CD1 3.75Å; N160-L162 VanDerWaalsContact O-CD1 3.32Å; N160-L162 WeakPolarHBondContact O-CD1 3.14Å; L162-L164 HydrophobicContact CB-CD2 4.2Å; L162-L164 HydrophobicContact CB-CG 4.49Å; L162-L164 HydrophobicContact CD2-CD2 4.09Å; L162-T198 CarbonylContact C-O 3.53Å; L162-T198 VanDerWaalsContact CA-O 3.26Å; L162-T198 WeakPolarHBondContact CA-O 3.42Å; L162-I200 HydrophobicContact CD2-CD1 4.2Å; L162-I271 HydrophobicContact CD1-CD1 3.71Å; L162-I271 HydrophobicContact CD2-CD1 3.89Å; L162-I271 HydrophobicContact CG-CD1 4.01Å
163	C	98.3	Very high	95.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.3	163.3	-171.1	0	0	0	0	108.8	H154 M165 T198 V199 I200	H154-C163 PolarHBondContact CE1-SG 3.15Å; C163-M165 HydrophobicContact CB-CE 4.42Å; C163-M165 WeakPolarHBondContact SG-CE 3.09Å; C163-T198 PolarHBondContact N-O 3.39Å; C163-V199 HydrophobicContact CB-CG1 4.21Å; C163-V199 HydrophobicContact CB-CG2 4.2Å; C163-V199 WeakPolarHBondContact O-CA 3.14Å; C163-I200 PolarHBondContact O-N 3.04Å
164	L	98.9	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	-179.7	-54.4	174.4	0	0	0	108.5	V89 F91 I124 L126 C152 V153 V155 L162 I200	V89-L164 HydrophobicContact CB-CD1 4.46Å; V89-L164 HydrophobicContact CG1-CD1 3.87Å; V89-L164 HydrophobicContact CG2-CD1 3.7Å; V89-L164 HydrophobicContact CG2-CD2 4.48Å; F91-L164 HydrophobicContact CE1-CB 3.93Å; F91-L164 HydrophobicContact CZ-CB 4.14Å; F91-L164 HydrophobicContact CZ-CD2 4.13Å; I124-L164 HydrophobicContact CD1-CB 4.3Å; L126-L164 HydrophobicContact CD2-CD1 3.72Å; C152-L164 CarbonylContact C-O 3.49Å; C152-L164 WeakPolarHBondContact CA-O 3.43Å; V153-L164 HydrophobicContact CB-CB 4.48Å; V153-L164 PolarHBondContact N-O 2.8Å; V153-L164 WeakPolarHBondContact O-CB 3.28Å; V153-L164 PolarHBondContact O-N 3.39Å; V155-L164 HydrophobicContact CB-CD1 4.46Å; V155-L164 HydrophobicContact CG1-CD1 3.84Å; V155-L164 HydrophobicContact CG2-CD1 3.68Å; V155-L164 HydrophobicContact CG2-CG 4.02Å; L162-L164 HydrophobicContact CB-CD2 4.2Å; L162-L164 HydrophobicContact CB-CG 4.49Å; L162-L164 HydrophobicContact CD2-CD2 4.09Å; L164-I200 CarbonylContact C-O 3.51Å; L164-I200 WeakPolarHBondContact CA-O 3.21Å; L164-I200 HydrophobicContact CD2-CB 4.32Å; L164-I200 HydrophobicContact CD2-CD1 4.38Å
165	M	98.9	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.2	-176.3	-57.8	-175.6	-177.2	0	0	110.8	L150 L151 C152 C163 K189 M190 V199 I200 F201 A202	L150-M165 HydrophobicContact CD1-CB 4.05Å; L151-M165 CarbonylContact O-C 3.59Å; L151-M165 VanDerWaalsContact O-CA 3.31Å; L151-M165 WeakPolarHBondContact O-CA 3.22Å; C152-M165 HydrophobicContact CB-CG 4.46Å; C163-M165 HydrophobicContact CB-CE 4.42Å; C163-M165 WeakPolarHBondContact SG-CE 3.09Å; M165-K189 HydrophobicContact CE-CB 4.45Å; M165-K189 HydrophobicContact CE-CG 3.76Å; M165-K189 HydrophobicContact SD-CG 4.26Å; M165-M190 HydrophobicContact CE-CG 4.36Å; M165-M190 HydrophobicContact SD-CG 3.72Å; M165-V199 HydrophobicContact CE-CG1 3.64Å; M165-V199 HydrophobicContact CG-CG1 4.48Å; M165-V199 HydrophobicContact SD-CG1 4.04Å; M165-I200 PolarHBondContact N-O 3.29Å; M165-F201 HydrophobicContact CB-CB 4.15Å; M165-F201 HydrophobicContact CB-CD2 3.91Å; M165-F201 CarbonylContact O-C 3.55Å; M165-F201 VanDerWaalsContact O-CA 3.3Å; M165-F201 WeakPolarHBondContact O-CA 3.42Å; M165-A202 PolarHBondContact O-N 3.16Å
166	T	98.9	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151	169	-165.1	0	0	0	0	112.5	F91 Q93 T122 I124 L151 A202	F91-T166 HydrophobicContact CD1-CG2 4.42Å; Q93-T166 PolarHBondContact NE2-OG1 3.06Å; T122-T166 HydrophobicContact CG2-CG2 4.45Å; I124-T166 HydrophobicContact CD1-CG2 3.95Å; I124-T166 HydrophobicContact CG1-CG2 3.61Å; L151-T166 HydrophobicContact CB-CG2 4.08Å; L151-T166 HydrophobicContact CD2-CG2 4.17Å; L151-T166 HydrophobicContact CG-CG2 4.44Å; L151-T166 PolarHBondContact N-O 3.02Å; L151-T166 PolarHBondContact O-N 3.1Å; T166-A202 WeakPolarHBondContact CA-O 3.16Å; T166-A202 VanDerWaalsContact CB-O 3.22Å; T166-A202 WeakPolarHBondContact CB-O 3.37Å; T166-A202 PolarHBondContact OG1-O 3.4Å
167	S	98.9	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.7	173	-169	0	0	0	0	110.1	F141 N149	F141-S167 VanDerWaalsContact CE2-OG 3.25Å; F141-S167 WeakPolarHBondContact CE2-OG 3.19Å; N149-S167 WeakPolarHBondContact O-CB 3.2Å; N149-S167 PolarHBondContact O-OG 3.47Å
168	H	98.9	Very high	96.2	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.023	19%	0.194	C	C	.	.			trans	-111.9	95.7	163.9	-178.6	-176	0	0	0	106.7	Q93 E94 Y120 T122 R148 S171 D204 N206	Q93-H168 HydrophobicContact CB-CB 4.04Å; Q93-H168 HydrophobicContact CG-CB 3.89Å; E94-H168 IonicContact OE1-CE1 3.62Å; E94-H168 PolarHBondContact OE1-CE1 2.9Å; E94-H168 IonicContact OE1-ND1 2.8Å; Y120-H168 AromaticContact CE2-ND1 3.99Å; T122-H168 HydrophobicContact CG2-CB 4.18Å; R148-H168 WeakPolarHBondContact CD-O 3.36Å; R148-H168 WeakPolarHBondContact CG-O 3.38Å; R148-H168 PolarHBondContact NH1-CD2 3.33Å; R148-H168 PolarHBondContact NH1-NE2 3.35Å; R148-H168 PolarHBondContact NH1-O 3.41Å; R148-H168 PolarHBondContact NH2-CE1 2.97Å; R148-H168 PolarHBondContact NH2-NE2 3.42Å; H168-S171 PolarHBondContact NE2-OG 2.66Å; H168-D204 CarbonylContact C-O 3.47Å; H168-D204 WeakPolarHBondContact CA-O 3.24Å; H168-D204 IonicContact CD2-OD2 2.65Å; H168-D204 PolarHBondContact CD2-OD2 2.89Å; H168-D204 IonicContact NE2-OD2 3.19Å; H168-D204 PolarHBondContact NE2-OD2 3.43Å; H168-N206 PolarHBondContact CD2-ND2 2.92Å; H168-N206 PolarHBondContact NE2-ND2 2.81Å; H168-N206 VanDerWaalsContact NE2-ND2 3.15Å
169	L	98.9	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-71.5	154.7	-174.9	-50.4	-176.8	0	0	0	111.6	F141 R148 S171 R179 Q182 L183 V186 D204 T205 N206	F141-L169 HydrophobicContact CE2-CD2 3.98Å; F141-L169 HydrophobicContact CZ-CD2 4.14Å; R148-L169 PolarHBondContact NH1-O 3.09Å; L169-S171 PolarHBondContact O-N 3.38Å; L169-R179 HydrophobicContact CB-CG 4.01Å; L169-R179 HydrophobicContact CD1-CG 4.38Å; L169-Q182 HydrophobicContact CD2-CB 3.87Å; L169-L183 HydrophobicContact CD1-CB 4.31Å; L169-V186 HydrophobicContact CD2-CG2 4.17Å; L169-D204 PolarHBondContact N-O 2.85Å; L169-T205 WeakPolarHBondContact CB-O 3.42Å; L169-T205 HydrophobicContact CD1-CG2 4.46Å; L169-N206 PolarHBondContact O-ND2 2.67Å
170	E	98.8	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-46	120.4	-170.1	-150.7	76.2	-171.8	0	0	112.1	T144 K145 M146 H175 E178 R179 Q182	T144-E170 WeakPolarHBondContact CB-OE2 3.36Å; T144-E170 PolarHBondContact OG1-OE2 3.2Å; K145-E170 PolarHBondContact N-OE1 2.87Å; M146-E170 HydrophobicContact CE-CG 4.29Å; M146-E170 VanDerWaalsContact CG-OE1 3.3Å; M146-E170 WeakPolarHBondContact CG-OE1 3.12Å; M146-E170 PolarHBondContact N-OE1 3.4Å; M146-E170 HydrophobicContact SD-CG 4.21Å; E170-H175 HydrophobicContact CB-CB 4.18Å; E170-H175 HydrophobicContact CG-CB 3.51Å; E170-E178 HydrophobicContact CB-CB 4.29Å; E170-E178 HydrophobicContact CB-CG 3.93Å; E170-E178 HydrophobicContact CG-CB 4.12Å; E170-E178 HydrophobicContact CG-CG 3.77Å; E170-R179 HydrophobicContact CB-CB 4.12Å; E170-R179 PolarHBondContact O-NH1 3.45Å; E170-Q182 PolarHBondContact OE2-NE2 2.85Å
171	S	97.1	Very high	97.6	Very high	16 Å²	16	29 Å²	29	11%	0.112	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-77.9	169.7	-170.2	-50.9	0	0	0	0	112.1	R148 H168 L169 H175 N206	R148-S171 PolarHBondContact NH1-OG 2.85Å; R148-S171 PolarHBondContact NH2-OG 2.87Å; H168-S171 PolarHBondContact NE2-OG 2.66Å; L169-S171 PolarHBondContact O-N 3.38Å; S171-H175 WeakPolarHBondContact O-CB 3.48Å; S171-H175 PolarHBondContact O-ND1 3.05Å; S171-N206 PolarHBondContact OG-ND2 3.37Å
172	T	93	Very high	97.8	Very high	35 Å²	35	26.1 Å²	26.1	22%	0.215	15%	0.153	C	C	.	.	S	Bend	trans	69	161.7	177.3	79.9	0	0	0	0	116.1	C12 G174 H175 R179	C12-T172 HydrophobicContact CB-CG2 3.39Å; C12-T172 WeakPolarHBondContact SG-CG2 3.36Å; T172-G174 VanDerWaalsContact C-N 3.33Å; T172-G174 PolarHBondContact O-N 3.38Å; T172-G174 PolarHBondContact OG1-N 3.35Å; T172-H175 PolarHBondContact OG1-ND1 3.08Å; T172-R179 PolarHBondContact O-NH1 3.07Å; T172-R179 PolarHBondContact O-NH2 2.83Å
173	R	92.7	Very high	97.9	Very high	157 Å²	157	26.1 Å²	26.1	59%	0.592	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-67	-32.4	176.7	-175.8	176.9	173	175.2	-1.9	113	H175 A176	R173-H175 VanDerWaalsContact C-N 3.25Å; R173-H175 PolarHBondContact O-N 2.88Å; R173-A176 PolarHBondContact O-N 2.69Å
174	G	96.2	Very high	97.9	Very high	61 Å²	61	31.2 Å²	31.2	63%	0.629	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-66.8	-25.3	-175.4	0	0	0	0	0	113.8	T172	T172-G174 VanDerWaalsContact C-N 3.33Å; T172-G174 PolarHBondContact O-N 3.38Å; T172-G174 PolarHBondContact OG1-N 3.35Å
175	H	97.5	Very high	97.9	Very high	52 Å²	52	34.4 Å²	34.4	24%	0.241	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-102.2	25.2	-176.7	-58.8	94.2	0	0	0	113.6	M146 E170 S171 T172 R173 A177 E178 R179	M146-H175 WeakPolarHBondContact CE-ND1 3.45Å; E170-H175 HydrophobicContact CB-CB 4.18Å; E170-H175 HydrophobicContact CG-CB 3.51Å; S171-H175 WeakPolarHBondContact O-CB 3.48Å; S171-H175 PolarHBondContact O-ND1 3.05Å; T172-H175 PolarHBondContact OG1-ND1 3.08Å; R173-H175 VanDerWaalsContact C-N 3.25Å; R173-H175 PolarHBondContact O-N 2.88Å; H175-A177 VanDerWaalsContact C-N 3.25Å; H175-A177 PolarHBondContact O-N 2.92Å; H175-E178 PolarHBondContact O-N 2.99Å; H175-R179 PolarHBondContact O-N 3.31Å
176	A	98	Very high	97.9	Very high	19 Å²	19	34.4 Å²	34.4	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-36	-178.7	0	0	0	0	0	113.8	R173 M180 E211	R173-A176 PolarHBondContact O-N 2.69Å; A176-M180 WeakPolarHBondContact O-CB 3.43Å; A176-M180 WeakPolarHBondContact O-CE 3.45Å; A176-M180 VanDerWaalsContact O-CG 3.27Å; A176-M180 WeakPolarHBondContact O-CG 3.48Å; A176-M180 PolarHBondContact O-N 3.44Å; A176-E211 WeakPolarHBondContact CB-OE1 3.47Å
177	A	98.3	Very high	97.9	Very high	66 Å²	66	34.9 Å²	34.9	55%	0.545	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-47.3	177.9	0	0	0	0	0	111.7	H175 M180 N181	H175-A177 VanDerWaalsContact C-N 3.25Å; H175-A177 PolarHBondContact O-N 2.92Å; A177-M180 PolarHBondContact O-N 2.82Å; A177-N181 PolarHBondContact O-N 2.89Å; A177-N181 VanDerWaalsContact O-N 3.09Å; A177-N181 PolarHBondContact O-ND2 3.37Å
178	E	98.6	Very high	97.9	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-45.3	179.1	175.4	55.8	-165.7	0	0	111.5	S143 T144 E170 H175 M180 N181 Q182	S143-E178 WeakPolarHBondContact CB-OE2 3.44Å; T144-E178 PolarHBondContact N-OE1 3.11Å; E170-E178 HydrophobicContact CB-CB 4.29Å; E170-E178 HydrophobicContact CB-CG 3.93Å; E170-E178 HydrophobicContact CG-CB 4.12Å; E170-E178 HydrophobicContact CG-CG 3.77Å; H175-E178 PolarHBondContact O-N 2.99Å; E178-M180 VanDerWaalsContact C-N 3.26Å; E178-M180 PolarHBondContact O-N 2.83Å; E178-N181 WeakPolarHBondContact O-CA 3.24Å; E178-N181 WeakPolarHBondContact O-CB 3.24Å; E178-N181 PolarHBondContact O-N 3.43Å; E178-Q182 HydrophobicContact CG-CG 4.34Å; E178-Q182 VanDerWaalsContact CG-NE2 3.35Å; E178-Q182 WeakPolarHBondContact O-CG 3.43Å; E178-Q182 PolarHBondContact O-N 2.78Å; E178-Q182 VanDerWaalsContact OE1-CG 3.31Å; E178-Q182 WeakPolarHBondContact OE1-CG 3.43Å; E178-Q182 PolarHBondContact OE1-NE2 2.82Å
179	R	98.7	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.5	-40.5	174.6	176.5	172.7	55.7	-98.3	6.4	112.9	L169 E170 T172 H175 Q182 L183 T205 N206 L207 E211	L169-R179 HydrophobicContact CB-CG 4.01Å; L169-R179 HydrophobicContact CD1-CG 4.38Å; E170-R179 HydrophobicContact CB-CB 4.12Å; E170-R179 PolarHBondContact O-NH1 3.45Å; T172-R179 PolarHBondContact O-NH1 3.07Å; T172-R179 PolarHBondContact O-NH2 2.83Å; H175-R179 PolarHBondContact O-N 3.31Å; R179-Q182 PolarHBondContact O-N 3.19Å; R179-L183 WeakPolarHBondContact O-CB 3.32Å; R179-L183 PolarHBondContact O-N 2.92Å; R179-T205 WeakPolarHBondContact CD-O 3.31Å; R179-N206 VanDerWaalsContact CD-C 3.43Å; R179-N206 WeakPolarHBondContact CD-O 3.5Å; R179-N206 PolarHBondContact NE-O 3.47Å; R179-N206 VanDerWaalsContact NE-O 3.14Å; R179-L207 HydrophobicContact CG-CD2 4Å; R179-E211 IonicContact CZ-OE1 3.7Å; R179-E211 IonicContact CZ-OE2 3.09Å; R179-E211 IonicContact NE-OE1 3.37Å; R179-E211 IonicContact NE-OE2 3.92Å; R179-E211 PolarHBondContact NE-OE2 3.08Å; R179-E211 IonicContact NH2-OE1 2.7Å; R179-E211 PolarHBondContact NH2-OE1 3.16Å; R179-E211 IonicContact NH2-OE2 3.82Å; R179-E211 PolarHBondContact NH2-OE2 3.35Å
180	M	98.8	Very high	97.9	Very high	32 Å²	32	42.1 Å²	42.1	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-35.8	175.5	-76.2	-174.3	-56.5	0	0	112.4	A176 A177 E178 K184 E211 R214	A176-M180 WeakPolarHBondContact O-CB 3.43Å; A176-M180 WeakPolarHBondContact O-CE 3.45Å; A176-M180 VanDerWaalsContact O-CG 3.27Å; A176-M180 WeakPolarHBondContact O-CG 3.48Å; A176-M180 PolarHBondContact O-N 3.44Å; A177-M180 PolarHBondContact O-N 2.82Å; E178-M180 VanDerWaalsContact C-N 3.26Å; E178-M180 PolarHBondContact O-N 2.83Å; M180-K184 WeakPolarHBondContact O-CG 3.35Å; M180-K184 PolarHBondContact O-N 2.92Å; M180-K184 VanDerWaalsContact O-N 3.13Å; M180-E211 HydrophobicContact CG-CB 3.91Å; M180-E211 HydrophobicContact CG-CG 4.41Å; M180-E211 HydrophobicContact SD-CB 4.03Å; M180-E211 HydrophobicContact SD-CG 4.27Å; M180-R214 HydrophobicContact SD-CB 3.94Å
181	N	98.7	Very high	97.8	Very high	80 Å²	80	46.6 Å²	46.6	43%	0.428	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-45.8	173.5	-68.7	-22.2	0	0	0	111.2	A177 E178 L183 K184 M185	A177-N181 PolarHBondContact O-N 2.89Å; A177-N181 VanDerWaalsContact O-N 3.09Å; A177-N181 PolarHBondContact O-ND2 3.37Å; E178-N181 WeakPolarHBondContact O-CA 3.24Å; E178-N181 WeakPolarHBondContact O-CB 3.24Å; E178-N181 PolarHBondContact O-N 3.43Å; N181-L183 PolarHBondContact O-N 3.47Å; N181-K184 WeakPolarHBondContact O-CB 3.3Å; N181-K184 PolarHBondContact O-N 2.87Å; N181-K184 VanDerWaalsContact O-N 3.14Å; N181-M185 WeakPolarHBondContact O-CG 3.38Å; N181-M185 PolarHBondContact O-N 2.88Å
182	Q	98.9	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-41.2	177.2	-62.9	171.2	-7.3	0	0	111.5	F141 L169 E170 E178 R179 K184 M185 V186	F141-Q182 HydrophobicContact CB-CG 4.07Å; F141-Q182 HydrophobicContact CD1-CB 4.42Å; F141-Q182 HydrophobicContact CD1-CG 4.1Å; F141-Q182 HydrophobicContact CD2-CB 4.11Å; F141-Q182 VanDerWaalsContact CD2-CD 3.45Å; F141-Q182 HydrophobicContact CD2-CG 3.56Å; F141-Q182 HydrophobicContact CE1-CB 4.25Å; F141-Q182 HydrophobicContact CE1-CG 4.41Å; F141-Q182 HydrophobicContact CE2-CB 3.91Å; F141-Q182 HydrophobicContact CE2-CG 3.9Å; F141-Q182 HydrophobicContact CG-CB 4.36Å; F141-Q182 HydrophobicContact CG-CG 3.67Å; F141-Q182 HydrophobicContact CZ-CB 3.99Å; F141-Q182 HydrophobicContact CZ-CG 4.32Å; L169-Q182 HydrophobicContact CD2-CB 3.87Å; E170-Q182 PolarHBondContact OE2-NE2 2.85Å; E178-Q182 HydrophobicContact CG-CG 4.34Å; E178-Q182 VanDerWaalsContact CG-NE2 3.35Å; E178-Q182 WeakPolarHBondContact O-CG 3.43Å; E178-Q182 PolarHBondContact O-N 2.78Å; E178-Q182 VanDerWaalsContact OE1-CG 3.31Å; E178-Q182 WeakPolarHBondContact OE1-CG 3.43Å; E178-Q182 PolarHBondContact OE1-NE2 2.82Å; R179-Q182 PolarHBondContact O-N 3.19Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 3.44Å; Q182-M185 WeakPolarHBondContact O-CB 3.5Å; Q182-M185 PolarHBondContact O-N 3.35Å; Q182-M185 VanDerWaalsContact O-N 3.09Å; Q182-V186 WeakPolarHBondContact O-CG2 3.45Å; Q182-V186 PolarHBondContact O-N 3.45Å
183	L	98.9	Very high	98	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-56	-44.7	172.2	176	61.8	0	0	0	111.4	L169 R179 N181 M185 V186 L187 L207 V212 C215 F261	L169-L183 HydrophobicContact CD1-CB 4.31Å; R179-L183 WeakPolarHBondContact O-CB 3.32Å; R179-L183 PolarHBondContact O-N 2.92Å; N181-L183 PolarHBondContact O-N 3.47Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 3.16Å; L183-V186 PolarHBondContact O-N 2.77Å; L183-L187 HydrophobicContact CD1-CD1 3.97Å; L183-L187 HydrophobicContact CD1-CD2 4.46Å; L183-L187 HydrophobicContact CD1-CG 4Å; L183-L187 HydrophobicContact CG-CD1 3.9Å; L183-L187 HydrophobicContact CG-CG 4.35Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.31Å; L183-L187 PolarHBondContact O-N 3.06Å; L183-L207 HydrophobicContact CD1-CD1 4.1Å; L183-L207 HydrophobicContact CD2-CD1 3.94Å; L183-L207 HydrophobicContact CD2-CD2 3.89Å; L183-V212 HydrophobicContact CD2-CG2 4.35Å; L183-C215 HydrophobicContact CD2-CB 4.34Å; L183-F261 HydrophobicContact CD1-CE2 3.77Å; L183-F261 HydrophobicContact CD1-CZ 4.37Å
184	K	98.8	Very high	98.1	Very high	108 Å²	108	46.1 Å²	46.1	47%	0.47	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-39.1	176.5	-68.8	169	-176.7	177	0	112	M180 N181 Q182 K188	M180-K184 WeakPolarHBondContact O-CG 3.35Å; M180-K184 PolarHBondContact O-N 2.92Å; M180-K184 VanDerWaalsContact O-N 3.13Å; N181-K184 WeakPolarHBondContact O-CB 3.3Å; N181-K184 PolarHBondContact O-N 2.87Å; N181-K184 VanDerWaalsContact O-N 3.14Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 3.44Å; K184-K188 VanDerWaalsContact O-CB 3.22Å; K184-K188 WeakPolarHBondContact O-CB 3.32Å; K184-K188 PolarHBondContact O-N 3.34Å
185	M	98.8	Very high	97.9	Very high	67 Å²	67	50.4 Å²	50.4	33%	0.33	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-43.3	175.4	-66.9	178.5	66.2	0	0	111.8	I139 P140 F141 N181 Q182 L183 K188 K189	I139-M185 HydrophobicContact CG2-CE 4.21Å; P140-M185 WeakPolarHBondContact O-CE 3.22Å; F141-M185 HydrophobicContact CD1-CE 3.8Å; F141-M185 HydrophobicContact CD1-SD 3.81Å; F141-M185 HydrophobicContact CE1-CB 4.18Å; F141-M185 HydrophobicContact CE1-CE 4.27Å; F141-M185 HydrophobicContact CE1-SD 4.3Å; N181-M185 WeakPolarHBondContact O-CG 3.38Å; N181-M185 PolarHBondContact O-N 2.88Å; Q182-M185 WeakPolarHBondContact O-CB 3.5Å; Q182-M185 PolarHBondContact O-N 3.35Å; Q182-M185 VanDerWaalsContact O-N 3.09Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 3.16Å; M185-K188 PolarHBondContact O-N 3.33Å; M185-K189 WeakPolarHBondContact O-CB 3.36Å; M185-K189 PolarHBondContact O-N 3.03Å
186	V	98.9	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-53.5	174.5	171.2	0	0	0	0	110.7	F141 L150 L169 Q182 L183 K188 K189 M190 F201	F141-V186 HydrophobicContact CZ-CG2 4.22Å; L150-V186 HydrophobicContact CD1-CG2 4.03Å; L150-V186 HydrophobicContact CD2-CG2 4.14Å; L169-V186 HydrophobicContact CD2-CG2 4.17Å; Q182-V186 WeakPolarHBondContact O-CG2 3.45Å; Q182-V186 PolarHBondContact O-N 3.45Å; L183-V186 PolarHBondContact O-N 2.77Å; V186-K188 VanDerWaalsContact C-N 3.31Å; V186-K188 PolarHBondContact O-N 3.27Å; V186-K189 PolarHBondContact O-N 2.72Å; V186-K189 VanDerWaalsContact O-N 3.14Å; V186-M190 HydrophobicContact CG1-CG 4.47Å; V186-M190 HydrophobicContact CG1-SD 4.23Å; V186-M190 WeakPolarHBondContact O-CG 3.48Å; V186-M190 PolarHBondContact O-N 3Å; V186-F201 HydrophobicContact CG1-CB 4.39Å; V186-F201 HydrophobicContact CG1-CD1 4.43Å; V186-F201 HydrophobicContact CG1-CD2 3.43Å; V186-F201 VanDerWaalsContact CG1-CD2 3.43Å; V186-F201 HydrophobicContact CG1-CE2 3.74Å; V186-F201 HydrophobicContact CG1-CG 3.82Å; V186-F201 HydrophobicContact CG1-CZ 4.38Å; V186-F201 HydrophobicContact CG2-CD2 4.46Å; V186-F201 HydrophobicContact CG2-CE2 4.02Å
187	L	98.8	Very high	97.5	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-40.4	-178.4	-65.1	172.1	0	0	0	111.8	L183 M190 Q191 L218 P219 I222 F261	L183-L187 HydrophobicContact CD1-CD1 3.97Å; L183-L187 HydrophobicContact CD1-CD2 4.46Å; L183-L187 HydrophobicContact CD1-CG 4Å; L183-L187 HydrophobicContact CG-CD1 3.9Å; L183-L187 HydrophobicContact CG-CG 4.35Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.31Å; L183-L187 PolarHBondContact O-N 3.06Å; L187-M190 HydrophobicContact CD2-SD 4.4Å; L187-M190 PolarHBondContact O-N 2.89Å; L187-Q191 WeakPolarHBondContact O-CG 3.34Å; L187-Q191 PolarHBondContact O-N 3.01Å; L187-L218 HydrophobicContact CD1-CD2 4.21Å; L187-L218 HydrophobicContact CD2-CD2 3.73Å; L187-P219 HydrophobicContact CB-CG 4.45Å; L187-I222 HydrophobicContact CD2-CD1 4.09Å; L187-I222 HydrophobicContact CD2-CG2 4.3Å; L187-F261 HydrophobicContact CD2-CD2 4.43Å
188	K	98.6	Very high	97.4	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-59.9	-47.7	173.8	-176.5	174.9	-171.3	-83.1	0	111.3	K184 M185 V186 M190 Q191 E192	K184-K188 VanDerWaalsContact O-CB 3.22Å; K184-K188 WeakPolarHBondContact O-CB 3.32Å; K184-K188 PolarHBondContact O-N 3.34Å; M185-K188 PolarHBondContact O-N 3.33Å; V186-K188 VanDerWaalsContact C-N 3.31Å; V186-K188 PolarHBondContact O-N 3.27Å; K188-M190 VanDerWaalsContact C-N 3.31Å; K188-M190 PolarHBondContact O-N 3.2Å; K188-Q191 PolarHBondContact O-N 2.85Å; K188-Q191 VanDerWaalsContact O-N 3.1Å; K188-E192 WeakPolarHBondContact CE-OE1 3.31Å; K188-E192 IonicContact NZ-OE1 3.04Å; K188-E192 PolarHBondContact NZ-OE1 2.61Å; K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.07Å
189	K	98.7	Very high	97.4	Very high	37 Å²	37	47.1 Å²	47.1	16%	0.161	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-37.1	178.8	-173	63.5	-179.6	-161.8	0	112	E137 I139 L150 M165 M185 V186 Q191 E192 A193	E137-K189 IonicContact OE1-NZ 3.91Å; E137-K189 PolarHBondContact OE1-NZ 2.61Å; E137-K189 WeakPolarHBondContact OE2-CE 3.43Å; E137-K189 IonicContact OE2-NZ 2.85Å; E137-K189 PolarHBondContact OE2-NZ 2.8Å; I139-K189 HydrophobicContact CD1-CB 4.39Å; I139-K189 HydrophobicContact CD1-CD 3.46Å; I139-K189 VanDerWaalsContact CD1-CD 3.46Å; I139-K189 HydrophobicContact CD1-CG 3.62Å; L150-K189 HydrophobicContact CD2-CB 3.97Å; L150-K189 HydrophobicContact CD2-CG 4.08Å; M165-K189 HydrophobicContact CE-CB 4.45Å; M165-K189 HydrophobicContact CE-CG 3.76Å; M165-K189 HydrophobicContact SD-CG 4.26Å; M185-K189 WeakPolarHBondContact O-CB 3.36Å; M185-K189 PolarHBondContact O-N 3.03Å; V186-K189 PolarHBondContact O-N 2.72Å; V186-K189 VanDerWaalsContact O-N 3.14Å; K189-Q191 VanDerWaalsContact C-N 3.31Å; K189-Q191 PolarHBondContact O-N 3.27Å; K189-E192 PolarHBondContact O-N 3.28Å; K189-A193 PolarHBondContact O-N 3.38Å
190	M	98.7	Very high	97.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-38.7	173	-68.6	-179.1	74	0	0	112	M165 V186 L187 K188 V199 F201 I222 F261 R263	M165-M190 HydrophobicContact CE-CG 4.36Å; M165-M190 HydrophobicContact SD-CG 3.72Å; V186-M190 HydrophobicContact CG1-CG 4.47Å; V186-M190 HydrophobicContact CG1-SD 4.23Å; V186-M190 WeakPolarHBondContact O-CG 3.48Å; V186-M190 PolarHBondContact O-N 3Å; L187-M190 HydrophobicContact CD2-SD 4.4Å; L187-M190 PolarHBondContact O-N 2.89Å; K188-M190 VanDerWaalsContact C-N 3.31Å; K188-M190 PolarHBondContact O-N 3.2Å; M190-V199 HydrophobicContact CB-CG1 4.11Å; M190-V199 HydrophobicContact CE-CB 4.46Å; M190-V199 HydrophobicContact CE-CG1 4.1Å; M190-V199 HydrophobicContact CG-CG1 3.86Å; M190-F201 HydrophobicContact CE-CB 4.18Å; M190-F201 HydrophobicContact SD-CB 3.76Å; M190-I222 HydrophobicContact CB-CD1 3.66Å; M190-I222 HydrophobicContact CE-CD1 4.25Å; M190-I222 HydrophobicContact CE-CG1 4.45Å; M190-I222 HydrophobicContact CE-CG2 3.84Å; M190-I222 HydrophobicContact SD-CD1 4.13Å; M190-I222 HydrophobicContact SD-CG2 4.3Å; M190-F261 HydrophobicContact CE-CB 3.84Å; M190-F261 HydrophobicContact SD-CB 4Å; M190-R263 HydrophobicContact CE-CB 4.41Å; M190-R263 WeakPolarHBondContact O-CD 3.21Å; M190-R263 VanDerWaalsContact O-CZ 3.31Å; M190-R263 PolarHBondContact O-NE 3.09Å; M190-R263 PolarHBondContact O-NH1 3.41Å
191	Q	97.8	Very high	97.4	Very high	94 Å²	94	45.7 Å²	45.7	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-71.7	-33.9	177.2	-69.1	179.3	-65.1	0	0	112.9	L187 K188 K189 A193 P219 I222 R263	L187-Q191 WeakPolarHBondContact O-CG 3.34Å; L187-Q191 PolarHBondContact O-N 3.01Å; K188-Q191 PolarHBondContact O-N 2.85Å; K188-Q191 VanDerWaalsContact O-N 3.1Å; K189-Q191 VanDerWaalsContact C-N 3.31Å; K189-Q191 PolarHBondContact O-N 3.27Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 3.32Å; Q191-P219 HydrophobicContact CG-CB 4.47Å; Q191-P219 HydrophobicContact CG-CG 4.36Å; Q191-I222 HydrophobicContact CG-CD1 4.04Å; Q191-R263 PolarHBondContact O-NH1 3.18Å; Q191-R263 VanDerWaalsContact O-NH1 3.11Å
192	E	97.7	Very high	97.4	Very high	110 Å²	110	41.9 Å²	41.9	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-72.8	-16.5	-179.7	-73.3	170.8	172.8	0	0	114.2	K188 K189	K188-E192 WeakPolarHBondContact CE-OE1 3.31Å; K188-E192 IonicContact NZ-OE1 3.04Å; K188-E192 PolarHBondContact NZ-OE1 2.61Å; K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.07Å; K189-E192 PolarHBondContact O-N 3.28Å
193	A	96.4	Very high	97.4	Very high	11 Å²	11	41.9 Å²	41.9	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-61.9	146.2	176.9	0	0	0	0	0	111.2	K189 Q191 V199 R263	K189-A193 PolarHBondContact O-N 3.38Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 3.32Å; A193-V199 HydrophobicContact CB-CG2 3.5Å; A193-V199 VanDerWaalsContact CB-CG2 3.5Å; A193-R263 PolarHBondContact O-NH1 2.81Å; A193-R263 PolarHBondContact O-NH2 3.34Å; A193-R263 VanDerWaalsContact O-NH2 3.08Å
194	P	94.6	Very high	97.4	Very high	77 Å²	77	41.9 Å²	41.9	50%	0.5	21%	0.212	S	C	.	.			trans	-51.3	141.7	-180	-26.8	34.5	0	0	0	112.6	S196 A197 R263	P194-S196 PolarHBondContact O-N 3.06Å; P194-A197 PolarHBondContact O-N 3.23Å; P194-R263 PolarHBondContact O-NH2 3.11Å
195	E	92.9	Very high	97.4	Very high	150 Å²	150	36.8 Å²	36.8	70%	0.701	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.7	-177.8	-68.9	-173.3	169.9	0	0	113.1	A197 A265 A266	E195-A197 PolarHBondContact O-N 2.96Å; E195-A265 CarbonylContact O-C 3.55Å; E195-A265 VanDerWaalsContact O-CA 3.23Å; E195-A265 WeakPolarHBondContact O-CA 3.45Å; E195-A265 WeakPolarHBondContact O-CB 3.42Å; E195-A266 HydrophobicContact CB-CB 3.93Å; E195-A266 PolarHBondContact O-N 3.07Å
196	S	92.1	Very high	97.4	Very high	82 Å²	82	34 Å²	34	57%	0.573	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.4	175.5	56.6	0	0	0	0	114.5	P194	P194-S196 PolarHBondContact O-N 3.06Å
197	A	94.4	Very high	97.4	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	18%	0.177	C	C	.	.	S	Bend	trans	-105.6	133.9	-178.3	0	0	0	0	0	112	E161 P194 E195 R263	E161-A197 HydrophobicContact CB-CB 4.14Å; E161-A197 WeakPolarHBondContact O-CA 3.44Å; P194-A197 PolarHBondContact O-N 3.23Å; E195-A197 PolarHBondContact O-N 2.96Å; A197-R263 PolarHBondContact O-NH2 3.12Å
198	T	95.9	Very high	97.3	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.4	166.5	-66.3	0	0	0	0	109	E161 L162 C163 I200 F262 I271	E161-T198 PolarHBondContact O-N 2.81Å; L162-T198 CarbonylContact C-O 3.53Å; L162-T198 VanDerWaalsContact CA-O 3.26Å; L162-T198 WeakPolarHBondContact CA-O 3.42Å; C163-T198 PolarHBondContact N-O 3.39Å; T198-I200 HydrophobicContact CG2-CG1 4.23Å; T198-F262 HydrophobicContact CG2-CD2 4.35Å; T198-F262 HydrophobicContact CG2-CE2 3.4Å; T198-F262 HydrophobicContact CG2-CZ 3.59Å; T198-I271 HydrophobicContact CG2-CB 4.38Å; T198-I271 HydrophobicContact CG2-CD1 4.41Å
199	V	97.9	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.8	179.5	-169.8	0	0	0	0	110.1	C163 M165 M190 A193 F262 R263	C163-V199 HydrophobicContact CB-CG1 4.21Å; C163-V199 HydrophobicContact CB-CG2 4.2Å; C163-V199 WeakPolarHBondContact O-CA 3.14Å; M165-V199 HydrophobicContact CE-CG1 3.64Å; M165-V199 HydrophobicContact CG-CG1 4.48Å; M165-V199 HydrophobicContact SD-CG1 4.04Å; M190-V199 HydrophobicContact CB-CG1 4.11Å; M190-V199 HydrophobicContact CE-CB 4.46Å; M190-V199 HydrophobicContact CE-CG1 4.1Å; M190-V199 HydrophobicContact CG-CG1 3.86Å; A193-V199 HydrophobicContact CB-CG2 3.5Å; A193-V199 VanDerWaalsContact CB-CG2 3.5Å; V199-F262 WeakPolarHBondContact O-CA 3.28Å; V199-R263 HydrophobicContact CB-CB 3.95Å; V199-R263 HydrophobicContact CG2-CB 4.34Å; V199-R263 PolarHBondContact N-O 3.3Å; V199-R263 PolarHBondContact O-N 3.47Å
200	I	98.7	Very high	97.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.4	178.1	-51.4	-176.9	0	0	0	108	F56 L58 F91 L162 C163 L164 M165 T198 I260 F262 L300	F56-I200 HydrophobicContact CE1-CD1 3.81Å; L58-I200 HydrophobicContact CD2-CD1 4.12Å; L58-I200 HydrophobicContact CD2-CG2 3.83Å; F91-I200 HydrophobicContact CZ-CG2 4.4Å; L162-I200 HydrophobicContact CD2-CD1 4.2Å; C163-I200 PolarHBondContact O-N 3.04Å; L164-I200 CarbonylContact C-O 3.51Å; L164-I200 WeakPolarHBondContact CA-O 3.21Å; L164-I200 HydrophobicContact CD2-CB 4.32Å; L164-I200 HydrophobicContact CD2-CD1 4.38Å; M165-I200 PolarHBondContact N-O 3.29Å; T198-I200 HydrophobicContact CG2-CG1 4.23Å; I200-I260 HydrophobicContact CG2-CG2 4.08Å; I200-F262 HydrophobicContact CD1-CD2 4.42Å; I200-F262 HydrophobicContact CD1-CE2 4.33Å; I200-F262 HydrophobicContact CG1-CD2 3.92Å; I200-F262 HydrophobicContact CG1-CE2 4.11Å; I200-L300 HydrophobicContact CD1-CD2 4.36Å
201	F	98.9	Very high	97	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.9	163.8	171.5	-85.3	0	0	0	108.9	L150 M165 V186 M190 T205 I260 F261	L150-F201 HydrophobicContact CD1-CD2 4.14Å; L150-F201 HydrophobicContact CD1-CE2 4.07Å; M165-F201 HydrophobicContact CB-CB 4.15Å; M165-F201 HydrophobicContact CB-CD2 3.91Å; M165-F201 CarbonylContact O-C 3.55Å; M165-F201 VanDerWaalsContact O-CA 3.3Å; M165-F201 WeakPolarHBondContact O-CA 3.42Å; V186-F201 HydrophobicContact CG1-CB 4.39Å; V186-F201 HydrophobicContact CG1-CD1 4.43Å; V186-F201 HydrophobicContact CG1-CD2 3.43Å; V186-F201 VanDerWaalsContact CG1-CD2 3.43Å; V186-F201 HydrophobicContact CG1-CE2 3.74Å; V186-F201 HydrophobicContact CG1-CG 3.82Å; V186-F201 HydrophobicContact CG1-CZ 4.38Å; V186-F201 HydrophobicContact CG2-CD2 4.46Å; V186-F201 HydrophobicContact CG2-CE2 4.02Å; M190-F201 HydrophobicContact CE-CB 4.18Å; M190-F201 HydrophobicContact SD-CB 3.76Å; F201-T205 HydrophobicContact CE1-CG2 3.76Å; F201-T205 HydrophobicContact CZ-CG2 4.31Å; F201-I260 CarbonylContact O-C 3.57Å; F201-I260 VanDerWaalsContact O-CA 3.25Å; F201-I260 WeakPolarHBondContact O-CA 3.36Å; F201-F261 HydrophobicContact CB-CB 4.26Å; F201-F261 HydrophobicContact CD1-CB 4.43Å; F201-F261 AromaticContact CD1-CD2 3.58Å; F201-F261 HydrophobicContact CD1-CD2 3.58Å; F201-F261 HydrophobicContact CD1-CE2 4.14Å; F201-F261 HydrophobicContact CD1-CG 4.21Å; F201-F261 HydrophobicContact CE1-CD2 4.15Å; F201-F261 HydrophobicContact CE1-CE2 4.25Å; F201-F261 HydrophobicContact CG-CD2 4.3Å; F201-F261 PolarHBondContact N-O 2.98Å; F201-F261 PolarHBondContact O-N 2.88Å
202	A	98.9	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.4	173.2	0	0	0	0	0	110.5	L58 T60 F91 M165 T166 R259 I260	L58-A202 HydrophobicContact CD1-CB 4.44Å; T60-A202 HydrophobicContact CG2-CB 4.03Å; F91-A202 HydrophobicContact CB-CB 4.36Å; F91-A202 HydrophobicContact CD1-CB 4.41Å; F91-A202 HydrophobicContact CD2-CB 3.56Å; F91-A202 HydrophobicContact CE2-CB 3.76Å; F91-A202 HydrophobicContact CG-CB 3.89Å; F91-A202 HydrophobicContact CZ-CB 4.23Å; M165-A202 PolarHBondContact O-N 3.16Å; T166-A202 WeakPolarHBondContact CA-O 3.16Å; T166-A202 VanDerWaalsContact CB-O 3.22Å; T166-A202 WeakPolarHBondContact CB-O 3.37Å; T166-A202 PolarHBondContact OG1-O 3.4Å; A202-R259 WeakPolarHBondContact CA-O 3.23Å; A202-I260 HydrophobicContact CB-CG1 3.97Å; A202-I260 HydrophobicContact CB-CG2 4.35Å
203	G	98.9	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	179.5	175.8	0	0	0	0	0	114.6	T60 T205 D258 R259	T60-G203 WeakPolarHBondContact OG1-CA 3.31Å; T60-G203 PolarHBondContact OG1-N 3.09Å; G203-T205 PolarHBondContact O-N 2.82Å; G203-T205 VanDerWaalsContact O-N 3.15Å; G203-D258 WeakPolarHBondContact O-CA 3.19Å; G203-R259 PolarHBondContact N-O 3.03Å; G203-R259 PolarHBondContact O-N 3.09Å; G203-R259 VanDerWaalsContact O-N 3.07Å
204	D	98.9	Very high	97	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	102.7	172.6	-178.6	1.1	0	0	0	110.9	N62 Q93 H168 L169 N206 F257 H293	N62-D204 HydrophobicContact CB-CB 4.23Å; N62-D204 PolarHBondContact ND2-OD2 3.28Å; N62-D204 VanDerWaalsContact ND2-OD2 3.16Å; Q93-D204 HydrophobicContact CG-CB 4.18Å; H168-D204 CarbonylContact C-O 3.47Å; H168-D204 WeakPolarHBondContact CA-O 3.24Å; H168-D204 IonicContact CD2-OD2 2.65Å; H168-D204 PolarHBondContact CD2-OD2 2.89Å; H168-D204 IonicContact NE2-OD2 3.19Å; H168-D204 PolarHBondContact NE2-OD2 3.43Å; L169-D204 PolarHBondContact N-O 2.85Å; D204-N206 VanDerWaalsContact CG-ND2 3.31Å; D204-N206 PolarHBondContact OD1-N 2.93Å; D204-N206 PolarHBondContact OD1-ND2 2.92Å; D204-N206 VanDerWaalsContact OD1-ND2 3.09Å; D204-N206 PolarHBondContact OD2-ND2 3.14Å; D204-F257 WeakPolarHBondContact OD1-CB 3.22Å; D204-H293 IonicContact OD2-CE1 3.59Å; D204-H293 PolarHBondContact OD2-CE1 3.45Å; D204-H293 IonicContact OD2-NE2 2.74Å
205	T	98.9	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-83.6	-14.6	178.6	71.6	0	0	0	0	113.4	L169 R179 F201 G203 L207 F257 R259 F261	L169-T205 WeakPolarHBondContact CB-O 3.42Å; L169-T205 HydrophobicContact CD1-CG2 4.46Å; R179-T205 WeakPolarHBondContact CD-O 3.31Å; F201-T205 HydrophobicContact CE1-CG2 3.76Å; F201-T205 HydrophobicContact CZ-CG2 4.31Å; G203-T205 PolarHBondContact O-N 2.82Å; G203-T205 VanDerWaalsContact O-N 3.15Å; T205-L207 HydrophobicContact CG2-CD1 4.13Å; T205-L207 PolarHBondContact O-N 3.14Å; T205-L207 WeakPolarHBondContact OG1-CB 3.32Å; T205-L207 WeakPolarHBondContact OG1-CD1 3.48Å; T205-L207 WeakPolarHBondContact OG1-CG 3.4Å; T205-L207 PolarHBondContact OG1-N 2.94Å; T205-F257 WeakPolarHBondContact CA-O 3.43Å; T205-F257 WeakPolarHBondContact CB-O 3.37Å; T205-F257 PolarHBondContact N-O 2.75Å; T205-F257 PolarHBondContact OG1-O 3.37Å; T205-R259 HydrophobicContact CG2-CB 3.83Å; T205-R259 HydrophobicContact CG2-CG 4.01Å; T205-F261 HydrophobicContact CG2-CE2 4.32Å; T205-F261 HydrophobicContact CG2-CZ 4.33Å
206	N	98.8	Very high	97.2	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.053	20%	0.198	C	C	.	.			trans	52.3	12.1	-170.7	-89.2	-86.1	0	0	0	115.1	H168 L169 S171 R179 D204 R208 F257	H168-N206 PolarHBondContact CD2-ND2 2.92Å; H168-N206 PolarHBondContact NE2-ND2 2.81Å; H168-N206 VanDerWaalsContact NE2-ND2 3.15Å; L169-N206 PolarHBondContact O-ND2 2.67Å; S171-N206 PolarHBondContact OG-ND2 3.37Å; R179-N206 VanDerWaalsContact CD-C 3.43Å; R179-N206 WeakPolarHBondContact CD-O 3.5Å; R179-N206 PolarHBondContact NE-O 3.47Å; R179-N206 VanDerWaalsContact NE-O 3.14Å; D204-N206 VanDerWaalsContact CG-ND2 3.31Å; D204-N206 PolarHBondContact OD1-N 2.93Å; D204-N206 PolarHBondContact OD1-ND2 2.92Å; D204-N206 VanDerWaalsContact OD1-ND2 3.09Å; D204-N206 PolarHBondContact OD2-ND2 3.14Å; N206-R208 PolarHBondContact O-NH1 3.06Å; N206-F257 VanDerWaalsContact C-CD1 3.41Å; N206-F257 VanDerWaalsContact CA-CD1 3.48Å; N206-F257 WeakPolarHBondContact O-CE1 3.35Å
207	L	98.4	Very high	97.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.184	C	C	.	.			trans	-74.7	149.2	-168.8	-74.9	167.3	0	0	0	112.3	R179 L183 T205 E211 V212 F261	R179-L207 HydrophobicContact CG-CD2 4Å; L183-L207 HydrophobicContact CD1-CD1 4.1Å; L183-L207 HydrophobicContact CD2-CD1 3.94Å; L183-L207 HydrophobicContact CD2-CD2 3.89Å; T205-L207 HydrophobicContact CG2-CD1 4.13Å; T205-L207 PolarHBondContact O-N 3.14Å; T205-L207 WeakPolarHBondContact OG1-CB 3.32Å; T205-L207 WeakPolarHBondContact OG1-CD1 3.48Å; T205-L207 WeakPolarHBondContact OG1-CG 3.4Å; T205-L207 PolarHBondContact OG1-N 2.94Å; L207-E211 HydrophobicContact CD2-CB 4.09Å; L207-V212 HydrophobicContact CD1-CG2 3.86Å; L207-V212 HydrophobicContact CD2-CG2 4.42Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; L207-F261 HydrophobicContact CD1-CZ 4.18Å
208	R	97.9	Very high	97.6	Very high	48 Å²	48	35.1 Å²	35.1	18%	0.181	19%	0.192	C	C	.	.			trans	-105.9	147.6	159.3	-73.5	69.1	177	-176.9	4.5	107.9	N206 R210 E211 L255	N206-R208 PolarHBondContact O-NH1 3.06Å; R208-R210 HydrophobicContact CB-CG 4.18Å; R208-R210 PolarHBondContact O-N 2.62Å; R208-R210 VanDerWaalsContact O-N 3.11Å; R208-E211 HydrophobicContact CB-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 2.82Å; R208-E211 WeakPolarHBondContact O-CA 3.37Å; R208-E211 VanDerWaalsContact O-CB 3.28Å; R208-E211 WeakPolarHBondContact O-CB 3.18Å; R208-E211 PolarHBondContact O-N 3.47Å; R208-L255 HydrophobicContact CG-CD2 4.39Å
209	D	94.9	Very high	97.7	Very high	91 Å²	91	36.3 Å²	36.3	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-55.9	-38.2	-175.6	-64	-13.6	0	0	0	112.8	E211 V212 T213 R259	D209-E211 PolarHBondContact O-N 2.65Å; D209-E211 VanDerWaalsContact O-N 3.16Å; D209-V212 WeakPolarHBondContact O-CB 3.46Å; D209-V212 PolarHBondContact O-N 3Å; D209-V212 VanDerWaalsContact O-N 3.14Å; D209-T213 PolarHBondContact O-N 3.19Å; D209-T213 VanDerWaalsContact O-N 3.14Å; D209-T213 PolarHBondContact O-OG1 2.87Å; D209-R259 IonicContact OD1-CZ 2.65Å; D209-R259 IonicContact OD1-NH1 2.69Å; D209-R259 IonicContact OD1-NH2 3.92Å; D209-R259 PolarHBondContact OD1-NH2 2.86Å
210	R	96.8	Very high	97.5	Very high	117 Å²	117	44.6 Å²	44.6	44%	0.442	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-26	174.7	71.3	-178.4	-177.5	-173.3	-4.1	114.5	R208 R214	R208-R210 HydrophobicContact CB-CG 4.18Å; R208-R210 PolarHBondContact O-N 2.62Å; R208-R210 VanDerWaalsContact O-N 3.11Å; R210-R214 WeakPolarHBondContact O-CB 3.43Å; R210-R214 WeakPolarHBondContact O-CG 3.35Å; R210-R214 PolarHBondContact O-N 2.94Å
211	E	98.2	Very high	97.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-76.9	-38	179.7	-64.9	167.8	172	0	0	110.1	A176 R179 M180 L207 R208 D209 R214 C215	A176-E211 WeakPolarHBondContact CB-OE1 3.47Å; R179-E211 IonicContact CZ-OE1 3.7Å; R179-E211 IonicContact CZ-OE2 3.09Å; R179-E211 IonicContact NE-OE1 3.37Å; R179-E211 IonicContact NE-OE2 3.92Å; R179-E211 PolarHBondContact NE-OE2 3.08Å; R179-E211 IonicContact NH2-OE1 2.7Å; R179-E211 PolarHBondContact NH2-OE1 3.16Å; R179-E211 IonicContact NH2-OE2 3.82Å; R179-E211 PolarHBondContact NH2-OE2 3.35Å; M180-E211 HydrophobicContact CG-CB 3.91Å; M180-E211 HydrophobicContact CG-CG 4.41Å; M180-E211 HydrophobicContact SD-CB 4.03Å; M180-E211 HydrophobicContact SD-CG 4.27Å; L207-E211 HydrophobicContact CD2-CB 4.09Å; R208-E211 HydrophobicContact CB-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 2.82Å; R208-E211 WeakPolarHBondContact O-CA 3.37Å; R208-E211 VanDerWaalsContact O-CB 3.28Å; R208-E211 WeakPolarHBondContact O-CB 3.18Å; R208-E211 PolarHBondContact O-N 3.47Å; D209-E211 PolarHBondContact O-N 2.65Å; D209-E211 VanDerWaalsContact O-N 3.16Å; E211-R214 PolarHBondContact O-N 2.92Å; E211-C215 PolarHBondContact O-N 2.69Å; E211-C215 PolarHBondContact O-SG 3.3Å
212	V	96.8	Very high	97.2	Very high	18 Å²	18	48.8 Å²	48.8	11%	0.109	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-46.8	170.9	-176.5	0	0	0	0	110.4	L183 L207 D209 R214 C215 G216 G217 L218	L183-V212 HydrophobicContact CD2-CG2 4.35Å; L207-V212 HydrophobicContact CD1-CG2 3.86Å; L207-V212 HydrophobicContact CD2-CG2 4.42Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; D209-V212 WeakPolarHBondContact O-CB 3.46Å; D209-V212 PolarHBondContact O-N 3Å; D209-V212 VanDerWaalsContact O-N 3.14Å; V212-R214 VanDerWaalsContact C-N 3.33Å; V212-R214 PolarHBondContact O-N 3.2Å; V212-C215 PolarHBondContact O-N 3.29Å; V212-C215 VanDerWaalsContact O-N 3.11Å; V212-G216 PolarHBondContact O-N 3.25Å; V212-G217 PolarHBondContact O-N 2.87Å; V212-L218 HydrophobicContact CG1-CD2 4.47Å
213	T	96.3	Very high	97.2	Very high	108 Å²	108	51.3 Å²	51.3	66%	0.663	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-41.8	175.9	-48.3	0	0	0	0	112.2	D209 C215 G216	D209-T213 PolarHBondContact O-N 3.19Å; D209-T213 VanDerWaalsContact O-N 3.14Å; D209-T213 PolarHBondContact O-OG1 2.87Å; T213-C215 VanDerWaalsContact C-N 3.25Å; T213-C215 PolarHBondContact O-N 3.07Å; T213-G216 PolarHBondContact O-N 3.38Å
214	R	96.9	Very high	97.2	Very high	172 Å²	172	51.5 Å²	51.5	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-67	-24.6	177.3	-77	171.3	-179.2	-165.7	-3.2	113.6	M180 R210 E211 V212 G216	M180-R214 HydrophobicContact SD-CB 3.94Å; R210-R214 WeakPolarHBondContact O-CB 3.43Å; R210-R214 WeakPolarHBondContact O-CG 3.35Å; R210-R214 PolarHBondContact O-N 2.94Å; E211-R214 PolarHBondContact O-N 2.92Å; V212-R214 VanDerWaalsContact C-N 3.33Å; V212-R214 PolarHBondContact O-N 3.2Å; R214-G216 PolarHBondContact O-N 3.39Å
215	C	96.1	Very high	97.2	Very high	27 Å²	27	51.5 Å²	51.5	18%	0.182	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.3	171.4	-72.8	0	0	0	0	113.6	L183 E211 V212 T213	L183-C215 HydrophobicContact CD2-CB 4.34Å; E211-C215 PolarHBondContact O-N 2.69Å; E211-C215 PolarHBondContact O-SG 3.3Å; V212-C215 PolarHBondContact O-N 3.29Å; V212-C215 VanDerWaalsContact O-N 3.11Å; T213-C215 VanDerWaalsContact C-N 3.25Å; T213-C215 PolarHBondContact O-N 3.07Å
216	G	96.4	Very high	97.1	Very high	70 Å²	70	52.2 Å²	52.2	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	8.5	-176.7	0	0	0	0	0	114.2	V212 T213 R214	V212-G216 PolarHBondContact O-N 3.25Å; T213-G216 PolarHBondContact O-N 3.38Å; R214-G216 PolarHBondContact O-N 3.39Å
217	G	97.1	Very high	97.1	Very high	27 Å²	27	55.8 Å²	55.8	28%	0.278	30%	0.302	S	S	.	.			trans	85.3	-174	-173.8	0	0	0	0	0	113.1	V212	V212-G217 PolarHBondContact O-N 2.87Å
218	L	98.1	Very high	97.1	Very high	40 Å²	40	61 Å²	61	21%	0.209	32%	0.324	C	S	.	.	S	Bend	trans	-81.2	144.6	169.3	-60.5	-179.6	0	0	0	109.5	L187 V212 D224 F261	L187-L218 HydrophobicContact CD1-CD2 4.21Å; L187-L218 HydrophobicContact CD2-CD2 3.73Å; V212-L218 HydrophobicContact CG1-CD2 4.47Å; L218-D224 HydrophobicContact CD1-CB 3.91Å; L218-F261 HydrophobicContact CD1-CD1 4.16Å; L218-F261 HydrophobicContact CD1-CE1 4.33Å; L218-F261 HydrophobicContact CD2-CD1 4.41Å; L218-F261 HydrophobicContact CD2-CE1 4.27Å; L218-F261 HydrophobicContact CD2-CZ 4.36Å
219	P	97.6	Very high	97.1	Very high	28 Å²	28	60.9 Å²	60.9	18%	0.182	33%	0.327	C	S	.	.			trans	-56	151.3	170.4	-25.3	35	0	0	0	112.2	L187 Q191 N221 I222	L187-P219 HydrophobicContact CB-CG 4.45Å; Q191-P219 HydrophobicContact CG-CB 4.47Å; Q191-P219 HydrophobicContact CG-CG 4.36Å; P219-N221 PolarHBondContact O-N 2.85Å; P219-I222 HydrophobicContact CB-CD1 4.35Å; P219-I222 HydrophobicContact CB-CG1 4.41Å; P219-I222 HydrophobicContact CG-CD1 4.04Å; P219-I222 PolarHBondContact O-N 3.3Å; P219-I222 VanDerWaalsContact O-O 3.04Å
220	N	94.3	Very high	97.3	Very high	175 Å²	175	59.5 Å²	59.5	94%	0.936	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.7	-172.5	-67.2	-8	0	0	0	115.2
221	N	94.3	Very high	97.4	Very high	83 Å²	83	58.9 Å²	58.9	44%	0.444	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.7	179.5	63.9	-25.4	0	0	0	113.7	P219 R263	P219-N221 PolarHBondContact O-N 2.85Å; N221-R263 HydrophobicContact CB-CG 4.42Å; N221-R263 VanDerWaalsContact O-CG 3.27Å; N221-R263 WeakPolarHBondContact O-CG 3.23Å
222	I	97.6	Very high	97.4	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	34%	0.343	C	S	.	.			trans	-116.1	127.2	178.3	-58.3	179.8	0	0	0	108.8	L187 M190 Q191 P219 F261 F262 R263	L187-I222 HydrophobicContact CD2-CD1 4.09Å; L187-I222 HydrophobicContact CD2-CG2 4.3Å; M190-I222 HydrophobicContact CB-CD1 3.66Å; M190-I222 HydrophobicContact CE-CD1 4.25Å; M190-I222 HydrophobicContact CE-CG1 4.45Å; M190-I222 HydrophobicContact CE-CG2 3.84Å; M190-I222 HydrophobicContact SD-CD1 4.13Å; M190-I222 HydrophobicContact SD-CG2 4.3Å; Q191-I222 HydrophobicContact CG-CD1 4.04Å; P219-I222 HydrophobicContact CB-CD1 4.35Å; P219-I222 HydrophobicContact CB-CG1 4.41Å; P219-I222 HydrophobicContact CG-CD1 4.04Å; P219-I222 PolarHBondContact O-N 3.3Å; P219-I222 VanDerWaalsContact O-O 3.04Å; I222-F261 HydrophobicContact CG2-CB 3.97Å; I222-F262 WeakPolarHBondContact CA-O 3.48Å; I222-R263 HydrophobicContact CG1-CB 4.15Å; I222-R263 HydrophobicContact CG1-CG 4.15Å
223	V	97.6	Very high	97.5	Very high	54 Å²	54	66.6 Å²	66.6	33%	0.327	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.3	177.6	-59.1	0	0	0	0	111.2	F228 F261 F262	V223-F228 HydrophobicContact CG2-CB 4.32Å; V223-F228 HydrophobicContact CG2-CD2 4.41Å; V223-F261 CarbonylContact O-C 3.48Å; V223-F261 VanDerWaalsContact O-CA 3.3Å; V223-F261 WeakPolarHBondContact O-CA 3.47Å; V223-F262 HydrophobicContact CG2-CB 4.01Å; V223-F262 HydrophobicContact CG2-CD1 4.23Å; V223-F262 PolarHBondContact N-O 3.26Å; V223-F262 PolarHBondContact O-N 2.77Å
224	D	98.7	Very high	97.6	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.2	163.6	-178.5	-47.3	0	0	0	108.1	L218 W226 E227 F228 R256 F261	L218-D224 HydrophobicContact CD1-CB 3.91Å; D224-W226 VanDerWaalsContact C-N 3.29Å; D224-W226 PolarHBondContact O-N 2.9Å; D224-W226 WeakPolarHBondContact OD1-CB 3.48Å; D224-W226 PolarHBondContact OD1-N 2.65Å; D224-E227 HydrophobicContact CB-CB 4.06Å; D224-E227 HydrophobicContact CB-CG 3.84Å; D224-E227 PolarHBondContact O-N 2.91Å; D224-E227 PolarHBondContact OD1-N 3.35Å; D224-F228 WeakPolarHBondContact O-CB 3.33Å; D224-F228 PolarHBondContact O-N 2.91Å; D224-R256 IonicContact OD1-NH1 3.81Å; D224-R256 PolarHBondContact OD1-NH1 3.35Å; D224-R256 IonicContact OD2-CZ 3.63Å; D224-R256 VanDerWaalsContact OD2-CZ 3.23Å; D224-R256 IonicContact OD2-NH1 3.8Å; D224-R256 PolarHBondContact OD2-NH1 3.19Å; D224-R256 IonicContact OD2-NH2 2.64Å; D224-R256 PolarHBondContact OD2-NH2 3.2Å; D224-F261 HydrophobicContact CB-CD1 4.15Å; D224-F261 HydrophobicContact CB-CE1 4.26Å
225	V	98.6	Very high	97.6	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-37.3	-174.7	172.3	0	0	0	0	112	E227 F228 L229 I260 F262 P273	V225-E227 VanDerWaalsContact C-N 3.31Å; V225-E227 PolarHBondContact O-N 3.43Å; V225-F228 PolarHBondContact O-N 2.82Å; V225-L229 HydrophobicContact CG1-CD1 3.79Å; V225-L229 HydrophobicContact CG1-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 VanDerWaalsContact O-CG 3.28Å; V225-L229 WeakPolarHBondContact O-CG 3.39Å; V225-L229 PolarHBondContact O-N 2.83Å; V225-I260 HydrophobicContact CB-CB 4.05Å; V225-I260 HydrophobicContact CB-CG2 4.21Å; V225-I260 HydrophobicContact CG2-CB 3.95Å; V225-I260 HydrophobicContact CG2-CG2 3.57Å; V225-I260 PolarHBondContact N-O 3.48Å; V225-F262 HydrophobicContact CG2-CB 3.89Å; V225-P273 HydrophobicContact CG1-CB 3.73Å; V225-P273 HydrophobicContact CG1-CG 4.27Å; V225-P273 HydrophobicContact CG2-CB 4.39Å; V225-P273 HydrophobicContact CG2-CG 4.02Å
226	W	98.8	Very high	97.8	Very high	15 Å²	15	58.8 Å²	58.8	6%	0.057	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-37.5	176.5	173.5	82.9	0	0	0	111.1	D224 K231 P232 Q236 L276	D224-W226 VanDerWaalsContact C-N 3.29Å; D224-W226 PolarHBondContact O-N 2.9Å; D224-W226 WeakPolarHBondContact OD1-CB 3.48Å; D224-W226 PolarHBondContact OD1-N 2.65Å; W226-K231 HydrophobicContact CD2-CB 4.4Å; W226-K231 HydrophobicContact CD2-CG 4.45Å; W226-K231 HydrophobicContact CE3-CB 4.37Å; W226-K231 HydrophobicContact CE3-CG 4.01Å; W226-K231 HydrophobicContact CH2-CB 3.53Å; W226-K231 HydrophobicContact CH2-CD 3.93Å; W226-K231 HydrophobicContact CH2-CG 3.67Å; W226-K231 HydrophobicContact CZ2-CB 3.52Å; W226-K231 HydrophobicContact CZ2-CG 4.12Å; W226-K231 HydrophobicContact CZ3-CB 3.97Å; W226-K231 HydrophobicContact CZ3-CD 3.9Å; W226-K231 HydrophobicContact CZ3-CG 3.6Å; W226-K231 VanDerWaalsContact O-CA 3.29Å; W226-K231 WeakPolarHBondContact O-CA 3.29Å; W226-K231 PolarHBondContact O-N 3.3Å; W226-P232 PolarHBondContact NE1-O 3.11Å; W226-P232 WeakPolarHBondContact O-CD 3.27Å; W226-Q236 HydrophobicContact CH2-CG 4.17Å; W226-Q236 HydrophobicContact CZ2-CB 3.87Å; W226-Q236 HydrophobicContact CZ2-CG 3.54Å; W226-L276 HydrophobicContact CB-CD2 3.74Å; W226-L276 HydrophobicContact CG-CD2 4.39Å
227	E	98.6	Very high	97.9	Very high	85 Å²	85	59.9 Å²	59.9	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-70.2	-42.1	175	-59.8	-164.7	146.2	0	0	112.3	D224 V225 L229 G230 K231	D224-E227 HydrophobicContact CB-CB 4.06Å; D224-E227 HydrophobicContact CB-CG 3.84Å; D224-E227 PolarHBondContact O-N 2.91Å; D224-E227 PolarHBondContact OD1-N 3.35Å; V225-E227 VanDerWaalsContact C-N 3.31Å; V225-E227 PolarHBondContact O-N 3.43Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.94Å; E227-G230 PolarHBondContact O-N 3.18Å; E227-G230 VanDerWaalsContact O-N 3.09Å; E227-K231 HydrophobicContact CB-CG 4.49Å; E227-K231 HydrophobicContact CG-CG 4.47Å; E227-K231 IonicContact OE1-NZ 2.79Å
228	F	97.9	Very high	98	Very high	111 Å²	111	58.6 Å²	58.6	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-40.7	176.5	177.4	-96.4	0	0	0	112	V223 D224 V225 G230 I272 P273	V223-F228 HydrophobicContact CG2-CB 4.32Å; V223-F228 HydrophobicContact CG2-CD2 4.41Å; D224-F228 WeakPolarHBondContact O-CB 3.33Å; D224-F228 PolarHBondContact O-N 2.91Å; V225-F228 PolarHBondContact O-N 2.82Å; F228-G230 PolarHBondContact O-N 3.28Å; F228-G230 VanDerWaalsContact O-N 3.14Å; F228-I272 HydrophobicContact CE1-CG2 4.37Å; F228-I272 HydrophobicContact CZ-CG2 4.39Å; F228-P273 HydrophobicContact CD1-CB 4.24Å; F228-P273 HydrophobicContact CD1-CG 4.45Å; F228-P273 HydrophobicContact CE1-CB 4.4Å
229	L	98.3	Very high	98	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.236	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	13.2	177.8	-66.1	173.5	0	0	0	114.1	V225 E227 P232 L276	V225-L229 HydrophobicContact CG1-CD1 3.79Å; V225-L229 HydrophobicContact CG1-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 VanDerWaalsContact O-CG 3.28Å; V225-L229 WeakPolarHBondContact O-CG 3.39Å; V225-L229 PolarHBondContact O-N 2.83Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.94Å; L229-P232 HydrophobicContact CB-CG 4.48Å; L229-L276 HydrophobicContact CD1-CB 3.57Å
230	G	98.4	Very high	98	Very high	62 Å²	62	57 Å²	57	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	24.5	175.7	0	0	0	0	0	114.4	E227 F228	E227-G230 PolarHBondContact O-N 3.18Å; E227-G230 VanDerWaalsContact O-N 3.09Å; F228-G230 PolarHBondContact O-N 3.28Å; F228-G230 VanDerWaalsContact O-N 3.14Å
231	K	98.6	Very high	98.1	Very high	104 Å²	104	49.3 Å²	49.3	45%	0.452	25%	0.248	S	C	.	.			trans	58.1	49.4	174.7	-58.2	-176.9	-179.8	-173.6	0	113.6	W226 E227 K233	W226-K231 HydrophobicContact CD2-CB 4.4Å; W226-K231 HydrophobicContact CD2-CG 4.45Å; W226-K231 HydrophobicContact CE3-CB 4.37Å; W226-K231 HydrophobicContact CE3-CG 4.01Å; W226-K231 HydrophobicContact CH2-CB 3.53Å; W226-K231 HydrophobicContact CH2-CD 3.93Å; W226-K231 HydrophobicContact CH2-CG 3.67Å; W226-K231 HydrophobicContact CZ2-CB 3.52Å; W226-K231 HydrophobicContact CZ2-CG 4.12Å; W226-K231 HydrophobicContact CZ3-CB 3.97Å; W226-K231 HydrophobicContact CZ3-CD 3.9Å; W226-K231 HydrophobicContact CZ3-CG 3.6Å; W226-K231 VanDerWaalsContact O-CA 3.29Å; W226-K231 WeakPolarHBondContact O-CA 3.29Å; W226-K231 PolarHBondContact O-N 3.3Å; E227-K231 HydrophobicContact CB-CG 4.49Å; E227-K231 HydrophobicContact CG-CG 4.47Å; E227-K231 IonicContact OE1-NZ 2.79Å; K231-K233 PolarHBondContact O-N 2.89Å
232	P	98.5	Very high	98.2	Very high	29 Å²	29	51 Å²	51	19%	0.188	25%	0.253	C	S	.	.			trans	-58	132	-176.2	24.4	-33.7	0	0	0	111.6	W226 L229 C235	W226-P232 PolarHBondContact NE1-O 3.11Å; W226-P232 WeakPolarHBondContact O-CD 3.27Å; L229-P232 HydrophobicContact CB-CG 4.48Å; P232-C235 VanDerWaalsContact CG-SG 3.59Å
233	K	98.5	Very high	98.1	Very high	153 Å²	153	55.8 Å²	55.8	67%	0.665	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-74.2	-30.9	-171.1	-66.9	-60.3	-176.4	-176.5	0	113.8	K231 C235 Q236	K231-K233 PolarHBondContact O-N 2.89Å; K233-C235 PolarHBondContact O-N 2.82Å; K233-Q236 VanDerWaalsContact CD-OE1 3.23Å; K233-Q236 PolarHBondContact O-N 3.14Å
234	H	98.4	Very high	98.2	Very high	114 Å²	114	53.6 Å²	53.6	53%	0.528	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.5	-175.9	71.8	-72.3	0	0	0	113	L276 D277 L278	H234-L276 PolarHBondContact NE2-O 3.12Å; H234-D277 IonicContact CD2-OD1 2.7Å; H234-D277 IonicContact CE1-OD1 3.85Å; H234-D277 IonicContact NE2-OD1 3.29Å; H234-D277 PolarHBondContact NE2-OD1 3.36Å; H234-L278 VanDerWaalsContact O-CD1 3.3Å; H234-L278 WeakPolarHBondContact O-CD1 3.49Å
235	C	98.4	Very high	98.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-119.7	21.6	177.6	64.5	0	0	0	0	114.1	P232 K233 L276 L278 L296	P232-C235 VanDerWaalsContact CG-SG 3.59Å; K233-C235 PolarHBondContact O-N 2.82Å; C235-L276 PolarHBondContact SG-O 3.41Å; C235-L278 HydrophobicContact CB-CD2 4.05Å; C235-L278 HydrophobicContact CB-CG 3.8Å; C235-L296 HydrophobicContact CB-CD2 4.49Å
236	Q	98.6	Very high	98.1	Very high	28 Å²	28	56.9 Å²	56.9	13%	0.131	29%	0.286	C	S	.	.	S	Bend	trans	-68.7	-39.2	-178.3	177.7	173.6	-3.7	0	0	113.3	W226 K233 R256	W226-Q236 HydrophobicContact CH2-CG 4.17Å; W226-Q236 HydrophobicContact CZ2-CB 3.87Å; W226-Q236 HydrophobicContact CZ2-CG 3.54Å; K233-Q236 VanDerWaalsContact CD-OE1 3.23Å; K233-Q236 PolarHBondContact O-N 3.14Å; Q236-R256 WeakPolarHBondContact O-CB 3.38Å; Q236-R256 WeakPolarHBondContact O-CD 3.38Å; Q236-R256 WeakPolarHBondContact O-CG 3.48Å
237	Y	98.7	Very high	97.9	Very high	93 Å²	93	57.5 Å²	57.5	37%	0.365	29%	0.29	S	S	.	.			trans	-111	121.6	-174.2	-59.3	-69	0	0	0	109.8	K254	Y237-K254 HydrophobicContact CD1-CB 3.5Å; Y237-K254 VanDerWaalsContact CD1-CB 3.5Å; Y237-K254 HydrophobicContact CD2-CB 4.16Å; Y237-K254 HydrophobicContact CD2-CD 4.07Å; Y237-K254 HydrophobicContact CE1-CB 3.82Å; Y237-K254 HydrophobicContact CE2-CB 4.44Å; Y237-K254 HydrophobicContact CE2-CD 4.28Å; Y237-K254 HydrophobicContact CG-CB 3.68Å; Y237-K254 HydrophobicContact CG-CD 4.37Å
238	T	98.8	Very high	97.7	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	30%	0.301	C	S	.	.	S	Bend	trans	-103.7	-12	-176.9	65	0	0	0	0	111.8	L255 F257 D258 L278 H293 W294 L296	T238-L255 PolarHBondContact N-O 3.14Å; T238-L255 VanDerWaalsContact N-O 3.09Å; T238-F257 PolarHBondContact OG1-N 3.47Å; T238-D258 WeakPolarHBondContact CB-OD2 3.49Å; T238-D258 HydrophobicContact CG2-CB 4Å; T238-D258 PolarHBondContact OG1-N 3.03Å; T238-D258 PolarHBondContact OG1-OD2 3.28Å; T238-L278 HydrophobicContact CG2-CD2 4.16Å; T238-H293 CarbonylContact O-C 3.52Å; T238-H293 WeakPolarHBondContact O-CA 3.45Å; T238-W294 PolarHBondContact O-N 2.65Å; T238-L296 HydrophobicContact CG2-CD1 3.98Å; T238-L296 HydrophobicContact CG2-CD2 4.05Å; T238-L296 HydrophobicContact CG2-CG 4.02Å
239	W	98.7	Very high	97.4	Very high	22 Å²	22	52.7 Å²	52.7	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	114	170.5	-171.7	90.5	0	0	0	108.5	T241 L247 I249 C253 K254 L255 F257 D292 H293	W239-T241 HydrophobicContact CD2-CG2 4.49Å; W239-T241 HydrophobicContact CE3-CG2 4.14Å; W239-T241 HydrophobicContact CH2-CG2 3.14Å; W239-T241 HydrophobicContact CZ2-CG2 3.54Å; W239-T241 HydrophobicContact CZ3-CG2 3.49Å; W239-T241 VanDerWaalsContact CZ3-CG2 3.49Å; W239-L247 HydrophobicContact CZ2-CD1 3.58Å; W239-I249 HydrophobicContact CH2-CD1 4.08Å; W239-I249 HydrophobicContact CZ2-CD1 4.02Å; W239-C253 HydrophobicContact CZ3-CB 3.82Å; W239-K254 CarbonylContact O-C 3.47Å; W239-K254 WeakPolarHBondContact O-CA 3.37Å; W239-L255 HydrophobicContact CE3-CB 4.46Å; W239-L255 HydrophobicContact CE3-CD1 4.32Å; W239-L255 HydrophobicContact CZ3-CD1 4.35Å; W239-L255 PolarHBondContact N-O 3.16Å; W239-L255 VanDerWaalsContact N-O 3.1Å; W239-L255 PolarHBondContact O-N 3.15Å; W239-F257 HydrophobicContact CB-CD2 3.66Å; W239-F257 HydrophobicContact CB-CE2 4.22Å; W239-F257 HydrophobicContact CB-CG 4.5Å; W239-F257 HydrophobicContact CD2-CD2 4.34Å; W239-F257 HydrophobicContact CD2-CE2 4.03Å; W239-F257 HydrophobicContact CE3-CE2 4.19Å; W239-F257 AromaticContact CG-CD2 3.89Å; W239-F257 HydrophobicContact CG-CD2 3.89Å; W239-F257 HydrophobicContact CG-CE2 4.06Å; W239-D292 PolarHBondContact NE1-OD2 2.88Å; W239-H293 AromaticContact CD1-CD2 3.57Å; W239-H293 AromaticContact CD1-CE1 3.97Å; W239-H293 AromaticContact CD1-CG 3.99Å; W239-H293 AromaticContact CD1-NE2 3.52Å
240	D	98.1	Very high	96.9	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	100.7	-172.7	-177.7	-10.9	0	0	0	110.6	Q242 M243 N244 C253 K254	D240-Q242 PolarHBondContact O-N 3.01Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.37Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.27Å; D240-Q242 PolarHBondContact OD1-N 3.46Å; D240-M243 PolarHBondContact O-N 3.49Å; D240-M243 PolarHBondContact OD1-N 3.36Å; D240-M243 WeakPolarHBondContact OD2-CG 3.22Å; D240-N244 WeakPolarHBondContact O-CA 3.41Å; D240-N244 VanDerWaalsContact O-CB 3.23Å; D240-N244 WeakPolarHBondContact O-CB 3.36Å; D240-N244 PolarHBondContact O-N 3.11Å; D240-C253 WeakPolarHBondContact CA-O 3.36Å; D240-K254 HydrophobicContact CB-CG 4.29Å; D240-K254 VanDerWaalsContact OD1-CE 3.28Å; D240-K254 WeakPolarHBondContact OD1-CE 3.34Å; D240-K254 WeakPolarHBondContact OD1-CG 3.49Å; D240-K254 IonicContact OD1-NZ 2.62Å; D240-K254 VanDerWaalsContact OD2-CD 3.22Å; D240-K254 WeakPolarHBondContact OD2-CD 3.46Å; D240-K254 WeakPolarHBondContact OD2-CE 3.29Å; D240-K254 IonicContact OD2-NZ 2.65Å; D240-K254 PolarHBondContact OD2-NZ 3.31Å
241	T	96.8	Very high	96.6	Very high	15 Å²	15	56 Å²	56	9%	0.092	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.8	-179	57.7	0	0	0	0	114.1	W239 I249 A251 C253	W239-T241 HydrophobicContact CD2-CG2 4.49Å; W239-T241 HydrophobicContact CE3-CG2 4.14Å; W239-T241 HydrophobicContact CH2-CG2 3.14Å; W239-T241 HydrophobicContact CZ2-CG2 3.54Å; W239-T241 HydrophobicContact CZ3-CG2 3.49Å; W239-T241 VanDerWaalsContact CZ3-CG2 3.49Å; T241-I249 HydrophobicContact CG2-CB 3.92Å; T241-I249 HydrophobicContact CG2-CD1 4.02Å; T241-I249 HydrophobicContact CG2-CG2 4.02Å; T241-A251 PolarHBondContact OG1-O 2.87Å; T241-C253 PolarHBondContact N-O 3.06Å; T241-C253 PolarHBondContact OG1-N 3.14Å; T241-C253 PolarHBondContact OG1-O 3.13Å
242	Q	95.4	Very high	96.3	Very high	117 Å²	117	54.8 Å²	54.8	55%	0.547	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-37.1	174.9	-166.1	-172.9	-3.6	0	0	111	D240 A252	D240-Q242 PolarHBondContact O-N 3.01Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.37Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.27Å; D240-Q242 PolarHBondContact OD1-N 3.46Å; Q242-A252 HydrophobicContact CB-CB 4.42Å
243	M	96.5	Very high	96.1	Very high	108 Å²	108	54.9 Å²	54.9	53%	0.532	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-33.7	-178.5	-61.1	-69.8	95	0	0	112	D240 F289 W294	D240-M243 PolarHBondContact O-N 3.49Å; D240-M243 PolarHBondContact OD1-N 3.36Å; D240-M243 WeakPolarHBondContact OD2-CG 3.22Å; M243-F289 WeakPolarHBondContact O-CE2 3.3Å; M243-F289 WeakPolarHBondContact O-CZ 3.4Å; M243-W294 HydrophobicContact CB-CZ2 4.2Å
244	N	98.2	Very high	96	Very high	8 Å²	8	51 Å²	51	4%	0.043	29%	0.293	C	S	.	.			trans	-98.9	115	179.1	-163.9	-48.4	0	0	0	110.9	D240 N246 F289 S291 D292 W294	D240-N244 WeakPolarHBondContact O-CA 3.41Å; D240-N244 VanDerWaalsContact O-CB 3.23Å; D240-N244 WeakPolarHBondContact O-CB 3.36Å; D240-N244 PolarHBondContact O-N 3.11Å; N244-N246 VanDerWaalsContact OD1-CB 3.27Å; N244-N246 WeakPolarHBondContact OD1-CB 3.39Å; N244-N246 PolarHBondContact OD1-N 2.98Å; N244-F289 HydrophobicContact CB-CD2 4.34Å; N244-F289 WeakPolarHBondContact OD1-CD2 3.49Å; N244-S291 PolarHBondContact ND2-O 3.38Å; N244-D292 WeakPolarHBondContact ND2-CA 3.26Å; N244-D292 PolarHBondContact ND2-O 3.33Å; N244-W294 HydrophobicContact CB-CH2 3.78Å; N244-W294 HydrophobicContact CB-CZ2 3.64Å; N244-W294 WeakPolarHBondContact ND2-CH2 3.39Å; N244-W294 WeakPolarHBondContact ND2-CZ3 3.28Å
245	S	97.1	Very high	96	Very high	63 Å²	63	47.2 Å²	47.2	44%	0.441	28%	0.276	S	S	.	.			trans	-94.1	2	-176.6	59.1	0	0	0	0	114.1	L247 G248	S245-L247 VanDerWaalsContact C-N 3.29Å; S245-L247 PolarHBondContact O-N 2.67Å; S245-G248 PolarHBondContact O-N 2.9Å
246	N	98	Very high	96	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.053	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.2	-170.3	-83.5	18.5	0	0	0	113	N244 G248 R288 F289 S291 D292	N244-N246 VanDerWaalsContact OD1-CB 3.27Å; N244-N246 WeakPolarHBondContact OD1-CB 3.39Å; N244-N246 PolarHBondContact OD1-N 2.98Å; N246-G248 VanDerWaalsContact C-N 3.35Å; N246-R288 PolarHBondContact O-NH2 3.47Å; N246-F289 PolarHBondContact ND2-O 2.77Å; N246-F289 PolarHBondContact OD1-N 2.99Å; N246-S291 PolarHBondContact ND2-O 2.98Å; N246-D292 HydrophobicContact CB-CB 4.05Å
247	L	95.1	Very high	96	Very high	28 Å²	28	47 Å²	47	15%	0.147	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.7	-178.3	-55.6	-178.7	0	0	0	114.2	Y11 W239 S245 I249 D292	Y11-L247 HydrophobicContact CE1-CD2 3.83Å; Y11-L247 HydrophobicContact CE2-CB 4.49Å; Y11-L247 HydrophobicContact CE2-CD2 4.01Å; Y11-L247 VanDerWaalsContact CZ-CD2 3.48Å; Y11-L247 WeakPolarHBondContact OH-CD2 3.25Å; W239-L247 HydrophobicContact CZ2-CD1 3.58Å; S245-L247 VanDerWaalsContact C-N 3.29Å; S245-L247 PolarHBondContact O-N 2.67Å; L247-I249 HydrophobicContact CB-CD1 3.86Å; L247-I249 HydrophobicContact CB-CG1 3.83Å; L247-I249 HydrophobicContact CD1-CD1 3.69Å; L247-I249 HydrophobicContact CG-CD1 4.48Å; L247-I249 PolarHBondContact O-N 2.79Å; L247-I249 VanDerWaalsContact O-N 3.13Å; L247-D292 HydrophobicContact CD1-CB 4.03Å; L247-D292 WeakPolarHBondContact CD1-OD2 3.4Å; L247-D292 HydrophobicContact CD2-CB 3.82Å; L247-D292 HydrophobicContact CG-CB 3.63Å
248	G	93.9	Very high	96	Very high	60 Å²	60	42.6 Å²	42.6	62%	0.619	26%	0.258	S	S	*	.			trans	62	18.1	-175.6	0	0	0	0	0	114.8	S245 N246 T250	S245-G248 PolarHBondContact O-N 2.9Å; N246-G248 VanDerWaalsContact C-N 3.35Å; G248-T250 PolarHBondContact O-N 3.04Å
249	I	91.6	Very high	96	Very high	34 Å²	34	43 Å²	43	17%	0.174	26%	0.259	C	S	.	.			trans	-74.6	116.3	179.7	-63.9	172.7	0	0	0	109.2	W239 T241 L247 A251	W239-I249 HydrophobicContact CH2-CD1 4.08Å; W239-I249 HydrophobicContact CZ2-CD1 4.02Å; T241-I249 HydrophobicContact CG2-CB 3.92Å; T241-I249 HydrophobicContact CG2-CD1 4.02Å; T241-I249 HydrophobicContact CG2-CG2 4.02Å; L247-I249 HydrophobicContact CB-CD1 3.86Å; L247-I249 HydrophobicContact CB-CG1 3.83Å; L247-I249 HydrophobicContact CD1-CD1 3.69Å; L247-I249 HydrophobicContact CG-CD1 4.48Å; L247-I249 PolarHBondContact O-N 2.79Å; L247-I249 VanDerWaalsContact O-N 3.13Å; I249-A251 HydrophobicContact CG2-CB 4.26Å
250	T	88.4	Confident	96	Very high	142 Å²	142	42.1 Å²	42.1	87%	0.871	26%	0.256	S	S	*	.			trans	-79.7	-19	-178.9	55.8	0	0	0	0	113.9	G248	G248-T250 PolarHBondContact O-N 3.04Å
251	A	91.6	Very high	96.1	Very high	36 Å²	36	41.7 Å²	41.7	30%	0.298	25%	0.253	S	S	.	.	S	Bend	trans	-79.7	128.6	176.9	0	0	0	0	0	110.4	P7 T241 I249 C253	P7-A251 HydrophobicContact CG-CB 4.27Å; T241-A251 PolarHBondContact OG1-O 2.87Å; I249-A251 HydrophobicContact CG2-CB 4.26Å; A251-C253 PolarHBondContact O-N 3.13Å
252	A	92.6	Very high	96.1	Very high	77 Å²	77	41.5 Å²	41.5	64%	0.636	25%	0.252	S	S	*	.			trans	-69.1	118.9	175.2	0	0	0	0	0	110.8	Q242	Q242-A252 HydrophobicContact CB-CB 4.42Å
253	C	94.4	Very high	96.2	Very high	32 Å²	32	36.4 Å²	36.4	22%	0.216	23%	0.227	C	C	.	.			trans	-145.5	129.2	177.3	-170.1	0	0	0	0	109.3	W239 D240 T241 A251	W239-C253 HydrophobicContact CZ3-CB 3.82Å; D240-C253 WeakPolarHBondContact CA-O 3.36Å; T241-C253 PolarHBondContact N-O 3.06Å; T241-C253 PolarHBondContact OG1-N 3.14Å; T241-C253 PolarHBondContact OG1-O 3.13Å; A251-C253 PolarHBondContact O-N 3.13Å
254	K	96.5	Very high	96	Very high	71 Å²	71	33.8 Å²	33.8	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.8	-178.9	-46.9	-166.5	179.2	-146.5	0	109.7	Y237 W239 D240	Y237-K254 HydrophobicContact CD1-CB 3.5Å; Y237-K254 VanDerWaalsContact CD1-CB 3.5Å; Y237-K254 HydrophobicContact CD2-CB 4.16Å; Y237-K254 HydrophobicContact CD2-CD 4.07Å; Y237-K254 HydrophobicContact CE1-CB 3.82Å; Y237-K254 HydrophobicContact CE2-CB 4.44Å; Y237-K254 HydrophobicContact CE2-CD 4.28Å; Y237-K254 HydrophobicContact CG-CB 3.68Å; Y237-K254 HydrophobicContact CG-CD 4.37Å; W239-K254 CarbonylContact O-C 3.47Å; W239-K254 WeakPolarHBondContact O-CA 3.37Å; D240-K254 HydrophobicContact CB-CG 4.29Å; D240-K254 VanDerWaalsContact OD1-CE 3.28Å; D240-K254 WeakPolarHBondContact OD1-CE 3.34Å; D240-K254 WeakPolarHBondContact OD1-CG 3.49Å; D240-K254 IonicContact OD1-NZ 2.62Å; D240-K254 VanDerWaalsContact OD2-CD 3.22Å; D240-K254 WeakPolarHBondContact OD2-CD 3.46Å; D240-K254 WeakPolarHBondContact OD2-CE 3.29Å; D240-K254 IonicContact OD2-NZ 2.65Å; D240-K254 PolarHBondContact OD2-NZ 3.31Å
255	L	98	Very high	95.7	Very high	34 Å²	34	34 Å²	34	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.4	-175.8	-66.4	169	0	0	0	110.1	R208 T238 W239 F257	R208-L255 HydrophobicContact CG-CD2 4.39Å; T238-L255 PolarHBondContact N-O 3.14Å; T238-L255 VanDerWaalsContact N-O 3.09Å; W239-L255 HydrophobicContact CE3-CB 4.46Å; W239-L255 HydrophobicContact CE3-CD1 4.32Å; W239-L255 HydrophobicContact CZ3-CD1 4.35Å; W239-L255 PolarHBondContact N-O 3.16Å; W239-L255 VanDerWaalsContact N-O 3.1Å; W239-L255 PolarHBondContact O-N 3.15Å; L255-F257 HydrophobicContact CB-CD1 3.79Å; L255-F257 HydrophobicContact CB-CD2 4.11Å; L255-F257 HydrophobicContact CB-CE1 3.69Å; L255-F257 HydrophobicContact CB-CE2 4Å; L255-F257 HydrophobicContact CB-CG 4.04Å; L255-F257 HydrophobicContact CB-CZ 3.83Å; L255-F257 HydrophobicContact CD1-CD1 4.43Å; L255-F257 HydrophobicContact CD1-CE1 3.47Å; L255-F257 VanDerWaalsContact CD1-CE1 3.47Å; L255-F257 HydrophobicContact CD1-CE2 3.76Å; L255-F257 HydrophobicContact CD1-CZ 3.08Å; L255-F257 HydrophobicContact CD2-CE1 4.49Å; L255-F257 HydrophobicContact CG-CE1 4.05Å; L255-F257 HydrophobicContact CG-CE2 4.49Å; L255-F257 HydrophobicContact CG-CZ 4.01Å
256	R	98.7	Very high	95	Very high	15 Å²	15	34.5 Å²	34.5	6%	0.057	23%	0.233	C	C	.	.			trans	-99.7	74.6	172.7	-167.9	174.8	70	87.4	-7.1	108.5	D224 Q236 R259	D224-R256 IonicContact OD1-NH1 3.81Å; D224-R256 PolarHBondContact OD1-NH1 3.35Å; D224-R256 IonicContact OD2-CZ 3.63Å; D224-R256 VanDerWaalsContact OD2-CZ 3.23Å; D224-R256 IonicContact OD2-NH1 3.8Å; D224-R256 PolarHBondContact OD2-NH1 3.19Å; D224-R256 IonicContact OD2-NH2 2.64Å; D224-R256 PolarHBondContact OD2-NH2 3.2Å; Q236-R256 WeakPolarHBondContact O-CB 3.38Å; Q236-R256 WeakPolarHBondContact O-CD 3.38Å; Q236-R256 WeakPolarHBondContact O-CG 3.48Å; R256-R259 VanDerWaalsContact NH2-NH1 3.18Å; R256-R259 PolarHBondContact O-NE 3.36Å; R256-R259 PolarHBondContact O-NH2 3.14Å
257	F	98.8	Very high	93.7	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.044	27%	0.267	C	S	.	.			trans	-80.4	-44.7	-176.7	-76.2	-27	0	0	0	111.5	D204 T205 N206 T238 W239 L255 H293	D204-F257 WeakPolarHBondContact OD1-CB 3.22Å; T205-F257 WeakPolarHBondContact CA-O 3.43Å; T205-F257 WeakPolarHBondContact CB-O 3.37Å; T205-F257 PolarHBondContact N-O 2.75Å; T205-F257 PolarHBondContact OG1-O 3.37Å; N206-F257 VanDerWaalsContact C-CD1 3.41Å; N206-F257 VanDerWaalsContact CA-CD1 3.48Å; N206-F257 WeakPolarHBondContact O-CE1 3.35Å; T238-F257 PolarHBondContact OG1-N 3.47Å; W239-F257 HydrophobicContact CB-CD2 3.66Å; W239-F257 HydrophobicContact CB-CE2 4.22Å; W239-F257 HydrophobicContact CB-CG 4.5Å; W239-F257 HydrophobicContact CD2-CD2 4.34Å; W239-F257 HydrophobicContact CD2-CE2 4.03Å; W239-F257 HydrophobicContact CE3-CE2 4.19Å; W239-F257 AromaticContact CG-CD2 3.89Å; W239-F257 HydrophobicContact CG-CD2 3.89Å; W239-F257 HydrophobicContact CG-CE2 4.06Å; L255-F257 HydrophobicContact CB-CD1 3.79Å; L255-F257 HydrophobicContact CB-CD2 4.11Å; L255-F257 HydrophobicContact CB-CE1 3.69Å; L255-F257 HydrophobicContact CB-CE2 4Å; L255-F257 HydrophobicContact CB-CG 4.04Å; L255-F257 HydrophobicContact CB-CZ 3.83Å; L255-F257 HydrophobicContact CD1-CD1 4.43Å; L255-F257 HydrophobicContact CD1-CE1 3.47Å; L255-F257 VanDerWaalsContact CD1-CE1 3.47Å; L255-F257 HydrophobicContact CD1-CE2 3.76Å; L255-F257 HydrophobicContact CD1-CZ 3.08Å; L255-F257 HydrophobicContact CD2-CE1 4.49Å; L255-F257 HydrophobicContact CG-CE1 4.05Å; L255-F257 HydrophobicContact CG-CE2 4.49Å; L255-F257 HydrophobicContact CG-CZ 4.01Å; F257-H293 AromaticContact CD2-CE1 3.99Å
258	D	98.9	Very high	92	Very high	1 Å²	1	49 Å²	49	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.5	-179.8	-46.9	-94.2	0	0	0	108.2	G203 T238 H293 L296	G203-D258 WeakPolarHBondContact O-CA 3.19Å; T238-D258 WeakPolarHBondContact CB-OD2 3.49Å; T238-D258 HydrophobicContact CG2-CB 4Å; T238-D258 PolarHBondContact OG1-N 3.03Å; T238-D258 PolarHBondContact OG1-OD2 3.28Å; D258-H293 IonicContact OD1-ND1 3.71Å; D258-H293 PolarHBondContact OD1-ND1 2.9Å; D258-H293 IonicContact OD2-CE1 2.67Å; D258-H293 IonicContact OD2-CG 3.37Å; D258-H293 IonicContact OD2-ND1 3.8Å; D258-H293 PolarHBondContact OD2-ND1 3.45Å; D258-L296 HydrophobicContact CB-CD1 4.04Å
259	R	98.9	Very high	90.2	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.9	-175.8	-52.4	-171.4	-177.1	-153.6	-3.8	110.4	A202 G203 T205 D209 R256 F261	A202-R259 WeakPolarHBondContact CA-O 3.23Å; G203-R259 PolarHBondContact N-O 3.03Å; G203-R259 PolarHBondContact O-N 3.09Å; G203-R259 VanDerWaalsContact O-N 3.07Å; T205-R259 HydrophobicContact CG2-CB 3.83Å; T205-R259 HydrophobicContact CG2-CG 4.01Å; D209-R259 IonicContact OD1-CZ 2.65Å; D209-R259 IonicContact OD1-NH1 2.69Å; D209-R259 IonicContact OD1-NH2 3.92Å; D209-R259 PolarHBondContact OD1-NH2 2.86Å; R256-R259 VanDerWaalsContact NH2-NH1 3.18Å; R256-R259 PolarHBondContact O-NE 3.36Å; R256-R259 PolarHBondContact O-NH2 3.14Å; R259-F261 HydrophobicContact CB-CE1 3.89Å; R259-F261 HydrophobicContact CB-CZ 4.09Å
260	I	98.9	Very high	89.3	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.1	172.8	-55.1	164.6	0	0	0	107.4	L58 T60 I200 F201 A202 V225 L276 L296 C298	L58-I260 HydrophobicContact CD1-CD1 3.9Å; T60-I260 HydrophobicContact CG2-CD1 4.39Å; T60-I260 HydrophobicContact CG2-CG1 4.06Å; I200-I260 HydrophobicContact CG2-CG2 4.08Å; F201-I260 CarbonylContact O-C 3.57Å; F201-I260 VanDerWaalsContact O-CA 3.25Å; F201-I260 WeakPolarHBondContact O-CA 3.36Å; A202-I260 HydrophobicContact CB-CG1 3.97Å; A202-I260 HydrophobicContact CB-CG2 4.35Å; V225-I260 HydrophobicContact CB-CB 4.05Å; V225-I260 HydrophobicContact CB-CG2 4.21Å; V225-I260 HydrophobicContact CG2-CB 3.95Å; V225-I260 HydrophobicContact CG2-CG2 3.57Å; V225-I260 PolarHBondContact N-O 3.48Å; I260-L276 HydrophobicContact CD1-CD1 3.62Å; I260-L296 HydrophobicContact CD1-CB 4.48Å; I260-C298 HydrophobicContact CD1-CB 3.66Å
261	F	98.9	Very high	89.2	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.6	172.1	-53.1	-38.9	0	0	0	109.7	L183 L187 M190 F201 T205 L207 L218 I222 V223 D224 R259	L183-F261 HydrophobicContact CD1-CE2 3.77Å; L183-F261 HydrophobicContact CD1-CZ 4.37Å; L187-F261 HydrophobicContact CD2-CD2 4.43Å; M190-F261 HydrophobicContact CE-CB 3.84Å; M190-F261 HydrophobicContact SD-CB 4Å; F201-F261 HydrophobicContact CB-CB 4.26Å; F201-F261 HydrophobicContact CD1-CB 4.43Å; F201-F261 AromaticContact CD1-CD2 3.58Å; F201-F261 HydrophobicContact CD1-CD2 3.58Å; F201-F261 HydrophobicContact CD1-CE2 4.14Å; F201-F261 HydrophobicContact CD1-CG 4.21Å; F201-F261 HydrophobicContact CE1-CD2 4.15Å; F201-F261 HydrophobicContact CE1-CE2 4.25Å; F201-F261 HydrophobicContact CG-CD2 4.3Å; F201-F261 PolarHBondContact N-O 2.98Å; F201-F261 PolarHBondContact O-N 2.88Å; T205-F261 HydrophobicContact CG2-CE2 4.32Å; T205-F261 HydrophobicContact CG2-CZ 4.33Å; L207-F261 HydrophobicContact CD1-CZ 4.18Å; L218-F261 HydrophobicContact CD1-CD1 4.16Å; L218-F261 HydrophobicContact CD1-CE1 4.33Å; L218-F261 HydrophobicContact CD2-CD1 4.41Å; L218-F261 HydrophobicContact CD2-CE1 4.27Å; L218-F261 HydrophobicContact CD2-CZ 4.36Å; I222-F261 HydrophobicContact CG2-CB 3.97Å; V223-F261 CarbonylContact O-C 3.48Å; V223-F261 VanDerWaalsContact O-CA 3.3Å; V223-F261 WeakPolarHBondContact O-CA 3.47Å; D224-F261 HydrophobicContact CB-CD1 4.15Å; D224-F261 HydrophobicContact CB-CE1 4.26Å; R259-F261 HydrophobicContact CB-CE1 3.89Å; R259-F261 HydrophobicContact CB-CZ 4.09Å
262	F	97.9	Very high	89.2	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.053	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	-171	-177.9	-92.7	0	0	0	110.6	T198 V199 I200 I222 V223 V225 A264 I271 P273 L300	T198-F262 HydrophobicContact CG2-CD2 4.35Å; T198-F262 HydrophobicContact CG2-CE2 3.4Å; T198-F262 HydrophobicContact CG2-CZ 3.59Å; V199-F262 WeakPolarHBondContact O-CA 3.28Å; I200-F262 HydrophobicContact CD1-CD2 4.42Å; I200-F262 HydrophobicContact CD1-CE2 4.33Å; I200-F262 HydrophobicContact CG1-CD2 3.92Å; I200-F262 HydrophobicContact CG1-CE2 4.11Å; I222-F262 WeakPolarHBondContact CA-O 3.48Å; V223-F262 HydrophobicContact CG2-CB 4.01Å; V223-F262 HydrophobicContact CG2-CD1 4.23Å; V223-F262 PolarHBondContact N-O 3.26Å; V223-F262 PolarHBondContact O-N 2.77Å; V225-F262 HydrophobicContact CG2-CB 3.89Å; F262-A264 HydrophobicContact CE1-CB 3.94Å; F262-I271 HydrophobicContact CE2-CB 4.49Å; F262-I271 HydrophobicContact CE2-CG2 4.12Å; F262-I271 HydrophobicContact CZ-CB 4.3Å; F262-I271 HydrophobicContact CZ-CG2 4.33Å; F262-I271 WeakPolarHBondContact CZ-O 3.34Å; F262-P273 HydrophobicContact CD2-CG 4.43Å; F262-P273 HydrophobicContact CG-CG 4.37Å; F262-L300 HydrophobicContact CD2-CD2 4.39Å; F262-L300 HydrophobicContact CE2-CD2 4.12Å
263	R	96.7	Very high	89.3	Confident	9 Å²	9	39.2 Å²	39.2	3%	0.034	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.9	170.1	-165.6	-163.5	72.8	161.2	4.2	108.1	M190 Q191 A193 P194 A197 V199 N221 I222	M190-R263 HydrophobicContact CE-CB 4.41Å; M190-R263 WeakPolarHBondContact O-CD 3.21Å; M190-R263 VanDerWaalsContact O-CZ 3.31Å; M190-R263 PolarHBondContact O-NE 3.09Å; M190-R263 PolarHBondContact O-NH1 3.41Å; Q191-R263 PolarHBondContact O-NH1 3.18Å; Q191-R263 VanDerWaalsContact O-NH1 3.11Å; A193-R263 PolarHBondContact O-NH1 2.81Å; A193-R263 PolarHBondContact O-NH2 3.34Å; A193-R263 VanDerWaalsContact O-NH2 3.08Å; P194-R263 PolarHBondContact O-NH2 3.11Å; A197-R263 PolarHBondContact O-NH2 3.12Å; V199-R263 HydrophobicContact CB-CB 3.95Å; V199-R263 HydrophobicContact CG2-CB 4.34Å; V199-R263 PolarHBondContact N-O 3.3Å; V199-R263 PolarHBondContact O-N 3.47Å; N221-R263 HydrophobicContact CB-CG 4.42Å; N221-R263 VanDerWaalsContact O-CG 3.27Å; N221-R263 WeakPolarHBondContact O-CG 3.23Å; I222-R263 HydrophobicContact CG1-CB 4.15Å; I222-R263 HydrophobicContact CG1-CG 4.15Å
264	A	93.6	Very high	89.4	Confident	53 Å²	53	44 Å²	44	44%	0.438	23%	0.231	S	C	.	.			trans	-66.3	153.8	173.6	0	0	0	0	0	111	F262	F262-A264 HydrophobicContact CE1-CB 3.94Å
265	A	91.9	Very high	89.4	Confident	13 Å²	13	42.2 Å²	42.2	11%	0.107	23%	0.228	C	C	.	.			trans	-67.2	149.9	163.5	0	0	0	0	0	110.5	E195	E195-A265 CarbonylContact O-C 3.55Å; E195-A265 VanDerWaalsContact O-CA 3.23Å; E195-A265 WeakPolarHBondContact O-CA 3.45Å; E195-A265 WeakPolarHBondContact O-CB 3.42Å
266	A	82.2	Confident	89.5	Confident	73 Å²	73	41 Å²	41	60%	0.603	22%	0.222	S	C	*	.	S	Bend	trans	-79.3	-35.1	-174.4	0	0	0	0	0	113.6	E195	E195-A266 HydrophobicContact CB-CB 3.93Å; E195-A266 PolarHBondContact O-N 3.07Å
267	E	70.1	Confident	89.5	Confident	164 Å²	164	43 Å²	43	77%	0.766	23%	0.233	S	C	*	.	S	Bend	trans	-117.1	138.8	173.2	-64.2	-174	173.1	0	0	108.1	G269	E267-G269 PolarHBondContact O-N 2.96Å
268	E	60	Low	89.5	Confident	178 Å²	178	43.9 Å²	43.9	83%	0.832	24%	0.238	S	C	*	.	S	Bend	trans	27.5	76	178.8	-68.9	-177	176.6	0	0	114.1
269	G	55.9	Low	89.4	Confident	29 Å²	29	44 Å²	44	30%	0.299	24%	0.239	S	C	.	.			trans	-127.6	109.6	176.9	0	0	0	0	0	109.7	E267	E267-G269 PolarHBondContact O-N 2.96Å
270	H	71.8	Confident	89.4	Confident	57 Å²	57	43.6 Å²	43.6	26%	0.264	24%	0.238	S	C	.	.			trans	-103.2	11.6	-160.8	-79.1	-54.6	0	0	0	114.3	D301 I303	H270-D301 VanDerWaalsContact O-O 3.04Å; H270-I303 HydrophobicContact CB-CB 3.54Å; H270-I303 HydrophobicContact CB-CG1 4.47Å; H270-I303 HydrophobicContact CB-CG2 4.49Å; H270-I303 WeakPolarHBondContact CB-O 3.16Å; H270-I303 PolarHBondContact CD2-O 2.98Å; H270-I303 VanDerWaalsContact CD2-O 3.27Å; H270-I303 WeakPolarHBondContact ND1-CB 3.37Å; H270-I303 WeakPolarHBondContact ND1-CG2 3.37Å; H270-I303 PolarHBondContact O-N 3.37Å
271	I	87	Confident	89.4	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.5	-174.4	-55	-174.6	0	0	0	110.4	N160 L162 T198 F262 L300 D301 I302	N160-I271 HydrophobicContact CB-CD1 4.41Å; L162-I271 HydrophobicContact CD1-CD1 3.71Å; L162-I271 HydrophobicContact CD2-CD1 3.89Å; L162-I271 HydrophobicContact CG-CD1 4.01Å; T198-I271 HydrophobicContact CG2-CB 4.38Å; T198-I271 HydrophobicContact CG2-CD1 4.41Å; F262-I271 HydrophobicContact CE2-CB 4.49Å; F262-I271 HydrophobicContact CE2-CG2 4.12Å; F262-I271 HydrophobicContact CZ-CB 4.3Å; F262-I271 HydrophobicContact CZ-CG2 4.33Å; F262-I271 WeakPolarHBondContact CZ-O 3.34Å; I271-L300 HydrophobicContact CG2-CB 3.73Å; I271-L300 HydrophobicContact CG2-CD2 3.54Å; I271-L300 HydrophobicContact CG2-CG 4.26Å; I271-D301 CarbonylContact C-O 3.56Å; I271-D301 WeakPolarHBondContact CA-O 3.3Å; I271-I302 HydrophobicContact CG1-CG1 4.28Å
272	I	90.7	Very high	89.3	Confident	48 Å²	48	53.9 Å²	53.9	25%	0.246	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.6	-177.9	-55.1	-177.1	0	0	0	110.1	F228 R274 L300 D301 I303	F228-I272 HydrophobicContact CE1-CG2 4.37Å; F228-I272 HydrophobicContact CZ-CG2 4.39Å; I272-R274 PolarHBondContact O-N 3.29Å; I272-L300 CarbonylContact O-C 3.53Å; I272-L300 WeakPolarHBondContact O-CA 3.36Å; I272-D301 PolarHBondContact N-O 3.44Å; I272-D301 PolarHBondContact O-N 2.79Å; I272-I303 HydrophobicContact CD1-CD1 3.57Å; I272-I303 HydrophobicContact CG1-CD1 4.24Å
273	P	94.7	Very high	89.3	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.032	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132	170.8	-21.4	31.9	0	0	0	112.2	V225 F228 F262 L300	V225-P273 HydrophobicContact CG1-CB 3.73Å; V225-P273 HydrophobicContact CG1-CG 4.27Å; V225-P273 HydrophobicContact CG2-CB 4.39Å; V225-P273 HydrophobicContact CG2-CG 4.02Å; F228-P273 HydrophobicContact CD1-CB 4.24Å; F228-P273 HydrophobicContact CD1-CG 4.45Å; F228-P273 HydrophobicContact CE1-CB 4.4Å; F262-P273 HydrophobicContact CD2-CG 4.43Å; F262-P273 HydrophobicContact CG-CG 4.37Å; P273-L300 HydrophobicContact CB-CD2 4.44Å; P273-L300 HydrophobicContact CG-CD2 3.98Å
274	R	96.2	Very high	89.4	Confident	131 Å²	131	59.7 Å²	59.7	49%	0.494	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-41.2	-176.8	-67.1	-51.6	-166.6	-173.3	-1.1	114.2	I272 N299 D301	I272-R274 PolarHBondContact O-N 3.29Å; R274-N299 PolarHBondContact N-O 2.84Å; R274-D301 HydrophobicContact CG-CB 4.37Å; R274-D301 IonicContact CZ-OD2 3.65Å; R274-D301 IonicContact NE-OD1 3.19Å; R274-D301 IonicContact NE-OD2 3.83Å; R274-D301 PolarHBondContact NE-OD2 3.03Å; R274-D301 IonicContact NH2-OD2 3.39Å; R274-D301 PolarHBondContact NH2-OD2 3.34Å
275	S	97.9	Very high	89.6	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.3	178.9	86.4	0	0	0	0	111.5	D277 C298 N299	S275-D277 PolarHBondContact OG-OD2 3.1Å; S275-C298 WeakPolarHBondContact O-CA 3.46Å; S275-N299 PolarHBondContact N-O 2.79Å; S275-N299 PolarHBondContact O-N 2.94Å; S275-N299 VanDerWaalsContact O-N 3.12Å; S275-N299 PolarHBondContact OG-ND2 3.18Å
276	L	98.7	Very high	89.9	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	122.8	176.1	-174.3	69.7	0	0	0	108.8	W226 L229 H234 C235 I260 L296 L297 C298	W226-L276 HydrophobicContact CB-CD2 3.74Å; W226-L276 HydrophobicContact CG-CD2 4.39Å; L229-L276 HydrophobicContact CD1-CB 3.57Å; H234-L276 PolarHBondContact NE2-O 3.12Å; C235-L276 PolarHBondContact SG-O 3.41Å; I260-L276 HydrophobicContact CD1-CD1 3.62Å; L276-L296 HydrophobicContact CD1-CB 4.1Å; L276-L296 HydrophobicContact CD1-CD2 3.96Å; L276-L296 HydrophobicContact CD1-CG 4.45Å; L276-L296 HydrophobicContact CD2-CD2 4.23Å; L276-L296 HydrophobicContact CG-CD2 3.98Å; L276-L297 CarbonylContact C-O 3.5Å; L276-L297 WeakPolarHBondContact CA-O 3.07Å; L276-C298 HydrophobicContact CD1-CB 3.82Å
277	D	98.8	Very high	90.7	Very high	56 Å²	56	64.4 Å²	64.4	30%	0.299	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150	-171.9	-63	-69.9	0	0	0	111.2	H234 S275 L296 L297	H234-D277 IonicContact CD2-OD1 2.7Å; H234-D277 IonicContact CE1-OD1 3.85Å; H234-D277 IonicContact NE2-OD1 3.29Å; H234-D277 PolarHBondContact NE2-OD1 3.36Å; S275-D277 PolarHBondContact OG-OD2 3.1Å; D277-L296 WeakPolarHBondContact O-CA 3.39Å; D277-L297 PolarHBondContact N-O 3.1Å; D277-L297 PolarHBondContact O-N 3.27Å
278	L	98.8	Very high	92	Very high	29 Å²	29	58.4 Å²	58.4	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146	176.4	-64.2	178.1	0	0	0	111.4	H234 C235 T238 L281 W294 G295 L296	H234-L278 VanDerWaalsContact O-CD1 3.3Å; H234-L278 WeakPolarHBondContact O-CD1 3.49Å; C235-L278 HydrophobicContact CB-CD2 4.05Å; C235-L278 HydrophobicContact CB-CG 3.8Å; T238-L278 HydrophobicContact CG2-CD2 4.16Å; L278-L281 HydrophobicContact CB-CD1 4.07Å; L278-L281 HydrophobicContact CB-CD2 4.25Å; L278-L281 HydrophobicContact CB-CG 4.27Å; L278-L281 HydrophobicContact CD1-CD2 4.25Å; L278-W294 HydrophobicContact CB-CB 4.4Å; L278-W294 HydrophobicContact CD1-CB 4.47Å; L278-W294 HydrophobicContact CD1-CG 4.43Å; L278-W294 HydrophobicContact CD2-CB 3.93Å; L278-W294 HydrophobicContact CG-CB 4.49Å; L278-G295 CarbonylContact C-O 3.59Å; L278-G295 VanDerWaalsContact CA-O 3.29Å; L278-G295 WeakPolarHBondContact CA-O 3.43Å; L278-L296 HydrophobicContact CD2-CD2 3.75Å
279	L	97.9	Very high	93.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.8	174	-60.2	-176.5	0	0	0	111.4	I59 Y81 Y85 G295 L297	I59-L279 HydrophobicContact CD1-CD1 3.42Å; I59-L279 VanDerWaalsContact CD1-CD1 3.42Å; I59-L279 HydrophobicContact CG1-CD1 3.78Å; I59-L279 HydrophobicContact CG2-CD1 4.16Å; Y81-L279 HydrophobicContact CD1-CB 4.09Å; Y81-L279 HydrophobicContact CD1-CD2 4.21Å; Y81-L279 HydrophobicContact CE1-CB 4.34Å; Y85-L279 HydrophobicContact CD2-CD1 4.35Å; Y85-L279 HydrophobicContact CD2-CD2 3.98Å; Y85-L279 HydrophobicContact CE1-CD2 4.38Å; Y85-L279 HydrophobicContact CE2-CD2 3.43Å; Y85-L279 VanDerWaalsContact CE2-CD2 3.43Å; L279-G295 PolarHBondContact N-O 2.7Å; L279-G295 PolarHBondContact O-N 3.17Å; L279-L297 HydrophobicContact CD1-CB 3.93Å; L279-L297 HydrophobicContact CD2-CB 4.06Å; L279-L297 HydrophobicContact CD2-CD2 4.4Å; L279-L297 HydrophobicContact CG-CB 3.94Å
280	G	98.3	Very high	95.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	25%	0.25	C	S	.	.			trans	78.8	17.9	173.2	0	0	0	0	0	114.8	Y81 E282 P290 W294	Y81-G280 VanDerWaalsContact CE1-N 3.33Å; G280-E282 PolarHBondContact O-N 3.42Å; G280-P290 WeakPolarHBondContact O-CD 3.41Å; G280-W294 WeakPolarHBondContact O-CZ3 3.43Å
281	L	98.3	Very high	97.2	Very high	87 Å²	87	46.4 Å²	46.4	46%	0.455	24%	0.238	S	C	.	.			trans	-73.3	-9.6	-177.6	-61.6	174.9	0	0	0	114	L278 F289 W294	L278-L281 HydrophobicContact CB-CD1 4.07Å; L278-L281 HydrophobicContact CB-CD2 4.25Å; L278-L281 HydrophobicContact CB-CG 4.27Å; L278-L281 HydrophobicContact CD1-CD2 4.25Å; L281-F289 VanDerWaalsContact O-CE1 3.26Å; L281-F289 WeakPolarHBondContact O-CE1 3.34Å; L281-W294 HydrophobicContact CD2-CB 4.48Å; L281-W294 HydrophobicContact CD2-CD2 3.47Å; L281-W294 VanDerWaalsContact CD2-CD2 3.47Å; L281-W294 HydrophobicContact CD2-CE3 3.86Å; L281-W294 HydrophobicContact CD2-CG 3.76Å; L281-W294 HydrophobicContact CD2-CH2 4.36Å; L281-W294 HydrophobicContact CD2-CZ2 4.02Å; L281-W294 HydrophobicContact CD2-CZ3 4.3Å
282	E	98.1	Very high	97.7	Very high	134 Å²	134	46.8 Å²	46.8	63%	0.626	24%	0.24	S	C	*	.	S	Bend	trans	-91.9	139.2	-179.2	-64.5	-66.2	162.7	0	0	111	G280	G280-E282 PolarHBondContact O-N 3.42Å
283	K	98.4	Very high	98.1	Very high	110 Å²	110	44.9 Å²	44.9	48%	0.478	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-72.9	143.3	169.8	-72.6	-174.1	168.6	-147.1	0	110.1	G287 F289	K283-G287 WeakPolarHBondContact CD-O 3.49Å; K283-G287 WeakPolarHBondContact CE-O 3.41Å; K283-G287 PolarHBondContact NZ-O 3.47Å; K283-F289 HydrophobicContact CD-CZ 4.25Å; K283-F289 HydrophobicContact CG-CD1 3.96Å; K283-F289 HydrophobicContact CG-CE1 3.51Å; K283-F289 HydrophobicContact CG-CE2 4.13Å; K283-F289 HydrophobicContact CG-CG 4.46Å; K283-F289 HydrophobicContact CG-CZ 3.62Å
284	L	98.5	Very high	98.3	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.178	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-82.3	173.8	169.7	-52.3	176.1	0	0	0	110	E73 R74 C286 G287 R288 P290	E73-L284 VanDerWaalsContact OE1-CB 3.26Å; E73-L284 WeakPolarHBondContact OE1-CB 3.07Å; R74-L284 HydrophobicContact CB-CD1 4.41Å; R74-L284 HydrophobicContact CG-CD1 4.08Å; L284-C286 PolarHBondContact O-N 2.8Å; L284-G287 WeakPolarHBondContact O-CA 3.21Å; L284-G287 PolarHBondContact O-N 3.47Å; L284-R288 WeakPolarHBondContact CB-O 3.31Å; L284-R288 PolarHBondContact N-O 3.34Å; L284-P290 HydrophobicContact CD1-CG 4.31Å; L284-P290 HydrophobicContact CD2-CG 4.24Å; L284-P290 HydrophobicContact CG-CG 4.36Å
285	D	98.2	Very high	98.4	Very high	167 Å²	167	38.9 Å²	38.9	89%	0.893	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.1	-177.9	-64.9	-28.2	0	0	0	112.5	E73 G287	E73-D285 PolarHBondContact OE1-N 3.4Å; D285-G287 PolarHBondContact O-N 3.24Å; D285-G287 VanDerWaalsContact O-N 3.09Å
286	C	97.6	Very high	98.5	Very high	37 Å²	37	37.4 Å²	37.4	25%	0.25	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-0.7	172.4	61.7	0	0	0	0	114.5	N70 E73 L284 R288	N70-C286 HydrophobicContact CB-CB 4.16Å; N70-C286 WeakPolarHBondContact ND2-CB 3.19Å; E73-C286 VanDerWaalsContact CD-SG 3.57Å; E73-C286 WeakPolarHBondContact OE1-CB 3.44Å; E73-C286 PolarHBondContact OE1-N 2.85Å; E73-C286 PolarHBondContact OE1-SG 2.81Å; E73-C286 VanDerWaalsContact OE2-CB 3.31Å; E73-C286 WeakPolarHBondContact OE2-CB 3.35Å; L284-C286 PolarHBondContact O-N 2.8Å; C286-R288 VanDerWaalsContact C-N 3.25Å; C286-R288 PolarHBondContact O-N 3Å
287	G	98.1	Very high	98.5	Very high	34 Å²	34	37.7 Å²	37.7	35%	0.351	20%	0.197	S	C	.	.	S	Bend	trans	76.4	8.9	179.6	0	0	0	0	0	114.6	K283 L284 D285	K283-G287 WeakPolarHBondContact CD-O 3.49Å; K283-G287 WeakPolarHBondContact CE-O 3.41Å; K283-G287 PolarHBondContact NZ-O 3.47Å; L284-G287 WeakPolarHBondContact O-CA 3.21Å; L284-G287 PolarHBondContact O-N 3.47Å; D285-G287 PolarHBondContact O-N 3.24Å; D285-G287 VanDerWaalsContact O-N 3.09Å
288	R	98.4	Very high	98.5	Very high	37 Å²	37	35 Å²	35	14%	0.14	18%	0.183	C	C	.	.	S	Bend	trans	-111.4	160.7	178.1	-54.1	-171.7	76.4	-151.7	2.6	110.9	D67 N69 N70 N246 L284 C286	D67-R288 IonicContact OD1-NH1 2.74Å; D67-R288 IonicContact OD2-CZ 3.23Å; D67-R288 IonicContact OD2-NH1 3.33Å; D67-R288 PolarHBondContact OD2-NH1 3.45Å; D67-R288 IonicContact OD2-NH2 2.8Å; D67-R288 PolarHBondContact OD2-NH2 3.23Å; N69-R288 PolarHBondContact O-NH1 3.09Å; N70-R288 WeakPolarHBondContact OD1-CD 3.42Å; N246-R288 PolarHBondContact O-NH2 3.47Å; L284-R288 WeakPolarHBondContact CB-O 3.31Å; L284-R288 PolarHBondContact N-O 3.34Å; C286-R288 VanDerWaalsContact C-N 3.25Å; C286-R288 PolarHBondContact O-N 3Å
289	F	98.7	Very high	98.4	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.057	19%	0.185	C	C	.	.			trans	-83	161.7	172.6	-60.4	-78.2	0	0	0	110.5	M243 N244 N246 L281 K283 S291 W294	M243-F289 WeakPolarHBondContact O-CE2 3.3Å; M243-F289 WeakPolarHBondContact O-CZ 3.4Å; N244-F289 HydrophobicContact CB-CD2 4.34Å; N244-F289 WeakPolarHBondContact OD1-CD2 3.49Å; N246-F289 PolarHBondContact ND2-O 2.77Å; N246-F289 PolarHBondContact OD1-N 2.99Å; L281-F289 VanDerWaalsContact O-CE1 3.26Å; L281-F289 WeakPolarHBondContact O-CE1 3.34Å; K283-F289 HydrophobicContact CD-CZ 4.25Å; K283-F289 HydrophobicContact CG-CD1 3.96Å; K283-F289 HydrophobicContact CG-CE1 3.51Å; K283-F289 HydrophobicContact CG-CE2 4.13Å; K283-F289 HydrophobicContact CG-CG 4.46Å; K283-F289 HydrophobicContact CG-CZ 3.62Å; F289-S291 WeakPolarHBondContact CB-O 3.48Å; F289-S291 PolarHBondContact O-N 3.45Å; F289-W294 HydrophobicContact CB-CH2 4.34Å; F289-W294 HydrophobicContact CB-CZ3 3.9Å; F289-W294 AromaticContact CD1-CH2 3.46Å; F289-W294 HydrophobicContact CD1-CH2 3.46Å; F289-W294 VanDerWaalsContact CD1-CH2 3.46Å; F289-W294 AromaticContact CD1-CZ3 3.5Å; F289-W294 HydrophobicContact CD1-CZ3 3.5Å; F289-W294 AromaticContact CD2-CH2 3.96Å; F289-W294 HydrophobicContact CD2-CH2 3.96Å; F289-W294 HydrophobicContact CD2-CZ3 4.38Å; F289-W294 AromaticContact CE1-CH2 3.6Å; F289-W294 HydrophobicContact CE1-CH2 3.6Å; F289-W294 HydrophobicContact CE1-CZ3 4.09Å; F289-W294 HydrophobicContact CE2-CH2 4.09Å; F289-W294 AromaticContact CG-CH2 3.64Å; F289-W294 HydrophobicContact CG-CH2 3.64Å; F289-W294 AromaticContact CG-CZ3 3.66Å; F289-W294 HydrophobicContact CG-CZ3 3.66Å; F289-W294 AromaticContact CZ-CH2 3.9Å; F289-W294 HydrophobicContact CZ-CH2 3.9Å
290	P	98.6	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-56.8	-31.9	175.6	-23.9	32.9	0	0	0	113.6	W61 R74 V78 Y81 G280 L284	W61-P290 HydrophobicContact CH2-CB 3.85Å; W61-P290 HydrophobicContact CH2-CG 4.05Å; W61-P290 HydrophobicContact CZ2-CB 3.78Å; W61-P290 HydrophobicContact CZ2-CG 4.19Å; R74-P290 PolarHBondContact NE-O 2.99Å; R74-P290 PolarHBondContact NH2-O 3.18Å; V78-P290 HydrophobicContact CG2-CB 3.8Å; Y81-P290 HydrophobicContact CE2-CG 4.36Å; G280-P290 WeakPolarHBondContact O-CD 3.41Å; L284-P290 HydrophobicContact CD1-CG 4.31Å; L284-P290 HydrophobicContact CD2-CG 4.24Å; L284-P290 HydrophobicContact CG-CG 4.36Å
291	S	98.8	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.			trans	-151	162.9	177.5	177.7	0	0	0	0	109.6	N62 N244 N246 F289 H293	N62-S291 WeakPolarHBondContact O-CB 3.38Å; N62-S291 PolarHBondContact O-OG 3.5Å; N244-S291 PolarHBondContact ND2-O 3.38Å; N246-S291 PolarHBondContact ND2-O 2.98Å; F289-S291 WeakPolarHBondContact CB-O 3.48Å; F289-S291 PolarHBondContact O-N 3.45Å; S291-H293 WeakPolarHBondContact CB-O 3.27Å; S291-H293 PolarHBondContact OG-N 2.79Å; S291-H293 VanDerWaalsContact OG-N 3.12Å
292	D	98.6	Very high	97.4	Very high	14 Å²	14	33.6 Å²	33.6	8%	0.075	18%	0.176	C	C	.	.	S	Bend	trans	-70.5	-15.7	165.8	70	-47.9	0	0	0	112.7	D64 W239 N244 N246 L247	D64-D292 VanDerWaalsContact CB-OD1 3.3Å; D64-D292 WeakPolarHBondContact CB-OD1 3.3Å; W239-D292 PolarHBondContact NE1-OD2 2.88Å; N244-D292 WeakPolarHBondContact ND2-CA 3.26Å; N244-D292 PolarHBondContact ND2-O 3.33Å; N246-D292 HydrophobicContact CB-CB 4.05Å; L247-D292 HydrophobicContact CD1-CB 4.03Å; L247-D292 WeakPolarHBondContact CD1-OD2 3.4Å; L247-D292 HydrophobicContact CD2-CB 3.82Å; L247-D292 HydrophobicContact CG-CB 3.63Å
293	H	98.8	Very high	96.4	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-95.1	147.3	168.3	-71.9	-117.2	0	0	0	112.3	W61 N62 D204 T238 W239 F257 D258 S291	W61-H293 PolarHBondContact NE1-O 2.87Å; N62-H293 HydrophobicContact CB-CB 4.14Å; D204-H293 IonicContact OD2-CE1 3.59Å; D204-H293 PolarHBondContact OD2-CE1 3.45Å; D204-H293 IonicContact OD2-NE2 2.74Å; T238-H293 CarbonylContact O-C 3.52Å; T238-H293 WeakPolarHBondContact O-CA 3.45Å; W239-H293 AromaticContact CD1-CD2 3.57Å; W239-H293 AromaticContact CD1-CE1 3.97Å; W239-H293 AromaticContact CD1-CG 3.99Å; W239-H293 AromaticContact CD1-NE2 3.52Å; F257-H293 AromaticContact CD2-CE1 3.99Å; D258-H293 IonicContact OD1-ND1 3.71Å; D258-H293 PolarHBondContact OD1-ND1 2.9Å; D258-H293 IonicContact OD2-CE1 2.67Å; D258-H293 IonicContact OD2-CG 3.37Å; D258-H293 IonicContact OD2-ND1 3.8Å; D258-H293 PolarHBondContact OD2-ND1 3.45Å; S291-H293 WeakPolarHBondContact CB-O 3.27Å; S291-H293 PolarHBondContact OG-N 2.79Å; S291-H293 VanDerWaalsContact OG-N 3.12Å
294	W	98.9	Very high	94.8	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.038	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-84.6	135.9	162.6	-52	137.7	0	0	0	110	T238 M243 N244 L278 G280 L281 F289	T238-W294 PolarHBondContact O-N 2.65Å; M243-W294 HydrophobicContact CB-CZ2 4.2Å; N244-W294 HydrophobicContact CB-CH2 3.78Å; N244-W294 HydrophobicContact CB-CZ2 3.64Å; N244-W294 WeakPolarHBondContact ND2-CH2 3.39Å; N244-W294 WeakPolarHBondContact ND2-CZ3 3.28Å; L278-W294 HydrophobicContact CB-CB 4.4Å; L278-W294 HydrophobicContact CD1-CB 4.47Å; L278-W294 HydrophobicContact CD1-CG 4.43Å; L278-W294 HydrophobicContact CD2-CB 3.93Å; L278-W294 HydrophobicContact CG-CB 4.49Å; G280-W294 WeakPolarHBondContact O-CZ3 3.43Å; L281-W294 HydrophobicContact CD2-CB 4.48Å; L281-W294 HydrophobicContact CD2-CD2 3.47Å; L281-W294 VanDerWaalsContact CD2-CD2 3.47Å; L281-W294 HydrophobicContact CD2-CE3 3.86Å; L281-W294 HydrophobicContact CD2-CG 3.76Å; L281-W294 HydrophobicContact CD2-CH2 4.36Å; L281-W294 HydrophobicContact CD2-CZ2 4.02Å; L281-W294 HydrophobicContact CD2-CZ3 4.3Å; F289-W294 HydrophobicContact CB-CH2 4.34Å; F289-W294 HydrophobicContact CB-CZ3 3.9Å; F289-W294 AromaticContact CD1-CH2 3.46Å; F289-W294 HydrophobicContact CD1-CH2 3.46Å; F289-W294 VanDerWaalsContact CD1-CH2 3.46Å; F289-W294 AromaticContact CD1-CZ3 3.5Å; F289-W294 HydrophobicContact CD1-CZ3 3.5Å; F289-W294 AromaticContact CD2-CH2 3.96Å; F289-W294 HydrophobicContact CD2-CH2 3.96Å; F289-W294 HydrophobicContact CD2-CZ3 4.38Å; F289-W294 AromaticContact CE1-CH2 3.6Å; F289-W294 HydrophobicContact CE1-CH2 3.6Å; F289-W294 HydrophobicContact CE1-CZ3 4.09Å; F289-W294 HydrophobicContact CE2-CH2 4.09Å; F289-W294 AromaticContact CG-CH2 3.64Å; F289-W294 HydrophobicContact CG-CH2 3.64Å; F289-W294 AromaticContact CG-CZ3 3.66Å; F289-W294 HydrophobicContact CG-CZ3 3.66Å; F289-W294 AromaticContact CZ-CH2 3.9Å; F289-W294 HydrophobicContact CZ-CH2 3.9Å
295	G	98.8	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	157.9	172.9	0	0	0	0	0	111	T60 L278 L279	T60-G295 WeakPolarHBondContact O-CA 3.49Å; L278-G295 CarbonylContact C-O 3.59Å; L278-G295 VanDerWaalsContact CA-O 3.29Å; L278-G295 WeakPolarHBondContact CA-O 3.43Å; L279-G295 PolarHBondContact N-O 2.7Å; L279-G295 PolarHBondContact O-N 3.17Å
296	L	98.9	Very high	94.5	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.2	171.1	-74.4	170.7	0	0	0	109.7	I59 T60 C235 T238 D258 I260 L276 D277 L278	I59-L296 CarbonylContact C-O 3.54Å; I59-L296 VanDerWaalsContact CA-O 3.24Å; I59-L296 WeakPolarHBondContact CA-O 3.21Å; T60-L296 HydrophobicContact CG2-CB 3.87Å; T60-L296 HydrophobicContact CG2-CD1 4.21Å; T60-L296 PolarHBondContact N-O 3.11Å; T60-L296 PolarHBondContact O-N 3.1Å; C235-L296 HydrophobicContact CB-CD2 4.49Å; T238-L296 HydrophobicContact CG2-CD1 3.98Å; T238-L296 HydrophobicContact CG2-CD2 4.05Å; T238-L296 HydrophobicContact CG2-CG 4.02Å; D258-L296 HydrophobicContact CB-CD1 4.04Å; I260-L296 HydrophobicContact CD1-CB 4.48Å; L276-L296 HydrophobicContact CD1-CB 4.1Å; L276-L296 HydrophobicContact CD1-CD2 3.96Å; L276-L296 HydrophobicContact CD1-CG 4.45Å; L276-L296 HydrophobicContact CD2-CD2 4.23Å; L276-L296 HydrophobicContact CG-CD2 3.98Å; D277-L296 WeakPolarHBondContact O-CA 3.39Å; L278-L296 HydrophobicContact CD2-CD2 3.75Å
297	L	98.8	Very high	94.3	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.068	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.9	166.4	177	63.2	0	0	0	108.9	I59 Y85 L276 D277 L279	I59-L297 HydrophobicContact CD1-CD1 4.32Å; I59-L297 HydrophobicContact CG1-CB 4.49Å; I59-L297 HydrophobicContact CG1-CD1 3.73Å; Y85-L297 HydrophobicContact CD1-CD2 3.43Å; Y85-L297 VanDerWaalsContact CD1-CD2 3.43Å; Y85-L297 HydrophobicContact CE1-CD2 3.61Å; Y85-L297 HydrophobicContact CG-CD2 4.07Å; L276-L297 CarbonylContact C-O 3.5Å; L276-L297 WeakPolarHBondContact CA-O 3.07Å; D277-L297 PolarHBondContact N-O 3.1Å; D277-L297 PolarHBondContact O-N 3.27Å; L279-L297 HydrophobicContact CD1-CB 3.93Å; L279-L297 HydrophobicContact CD2-CB 4.06Å; L279-L297 HydrophobicContact CD2-CD2 4.4Å; L279-L297 HydrophobicContact CG-CB 3.94Å
298	C	98.7	Very high	94.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.8	176.5	-176.8	0	0	0	0	109.8	S57 L58 I260 S275 L276 L300	S57-C298 WeakPolarHBondContact CA-O 3.34Å; L58-C298 HydrophobicContact CD1-CB 3.8Å; L58-C298 HydrophobicContact CG-CB 3.95Å; L58-C298 PolarHBondContact N-O 3.21Å; L58-C298 PolarHBondContact O-N 2.97Å; I260-C298 HydrophobicContact CD1-CB 3.66Å; S275-C298 WeakPolarHBondContact O-CA 3.46Å; L276-C298 HydrophobicContact CD1-CB 3.82Å; C298-L300 HydrophobicContact CB-CD1 4.43Å
299	N	97.8	Very high	93.8	Very high	34 Å²	34	24.1 Å²	24.1	18%	0.182	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.4	174.1	-64.2	-53	0	0	0	109.5	M55 R274 S275	M55-N299 HydrophobicContact CE-CB 3.89Å; M55-N299 VanDerWaalsContact CE-CG 3.44Å; M55-N299 WeakPolarHBondContact CE-OD1 3.38Å; R274-N299 PolarHBondContact N-O 2.84Å; S275-N299 PolarHBondContact N-O 2.79Å; S275-N299 PolarHBondContact O-N 2.94Å; S275-N299 VanDerWaalsContact O-N 3.12Å; S275-N299 PolarHBondContact OG-ND2 3.18Å
300	L	95.3	Very high	93.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.3	-178.3	-53.1	92.1	0	0	0	108.8	F56 L58 I200 F262 I271 I272 P273 C298	F56-L300 HydrophobicContact CB-CB 4.4Å; F56-L300 HydrophobicContact CD1-CB 4.25Å; F56-L300 HydrophobicContact CD1-CD1 3.8Å; F56-L300 HydrophobicContact CD1-CG 4.41Å; F56-L300 HydrophobicContact CE1-CD1 4.3Å; F56-L300 PolarHBondContact N-O 3.47Å; F56-L300 WeakPolarHBondContact O-CA 3.47Å; F56-L300 PolarHBondContact O-N 3.23Å; L58-L300 HydrophobicContact CD2-CD1 3.78Å; L58-L300 HydrophobicContact CG-CD1 4.17Å; I200-L300 HydrophobicContact CD1-CD2 4.36Å; F262-L300 HydrophobicContact CD2-CD2 4.39Å; F262-L300 HydrophobicContact CE2-CD2 4.12Å; I271-L300 HydrophobicContact CG2-CB 3.73Å; I271-L300 HydrophobicContact CG2-CD2 3.54Å; I271-L300 HydrophobicContact CG2-CG 4.26Å; I272-L300 CarbonylContact O-C 3.53Å; I272-L300 WeakPolarHBondContact O-CA 3.36Å; P273-L300 HydrophobicContact CB-CD2 4.44Å; P273-L300 HydrophobicContact CG-CD2 3.98Å; C298-L300 HydrophobicContact CB-CD1 4.43Å
301	D	91.9	Very high	93.1	Very high	53 Å²	53	26.6 Å²	26.6	28%	0.283	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.9	168.6	-72.1	-8.4	0	0	0	108.9	S54 H270 I271 I272 R274	S54-D301 CarbonylContact O-C 3.57Å; S54-D301 WeakPolarHBondContact O-CA 3.03Å; H270-D301 VanDerWaalsContact O-O 3.04Å; I271-D301 CarbonylContact C-O 3.56Å; I271-D301 WeakPolarHBondContact CA-O 3.3Å; I272-D301 PolarHBondContact N-O 3.44Å; I272-D301 PolarHBondContact O-N 2.79Å; R274-D301 HydrophobicContact CG-CB 4.37Å; R274-D301 IonicContact CZ-OD2 3.65Å; R274-D301 IonicContact NE-OD1 3.19Å; R274-D301 IonicContact NE-OD2 3.83Å; R274-D301 PolarHBondContact NE-OD2 3.03Å; R274-D301 IonicContact NH2-OD2 3.39Å; R274-D301 PolarHBondContact NH2-OD2 3.34Å
302	I	86.4	Confident	92.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	107	157.3	-55.3	175.3	0	0	0	105.9	S54 F56 V157 N160 I271 L304	S54-I302 WeakPolarHBondContact CA-O 3.48Å; S54-I302 PolarHBondContact O-N 3.28Å; F56-I302 HydrophobicContact CB-CD1 3.85Å; F56-I302 HydrophobicContact CB-CG1 3.76Å; V157-I302 HydrophobicContact CG1-CD1 3.86Å; N160-I302 WeakPolarHBondContact ND2-CG2 3.39Å; I271-I302 HydrophobicContact CG1-CG1 4.28Å; I302-L304 HydrophobicContact CG2-CD2 3.8Å; I302-L304 HydrophobicContact CG2-CG 4.36Å; I302-L304 PolarHBondContact O-N 3.43Å
303	I	76.6	Confident	92.2	Very high	74 Å²	74	29.9 Å²	29.9	38%	0.379	16%	0.155	S	C	.	.			trans	-68	125.3	166	-54.5	163.3	0	0	0	107.2	H270 I272	H270-I303 HydrophobicContact CB-CB 3.54Å; H270-I303 HydrophobicContact CB-CG1 4.47Å; H270-I303 HydrophobicContact CB-CG2 4.49Å; H270-I303 WeakPolarHBondContact CB-O 3.16Å; H270-I303 PolarHBondContact CD2-O 2.98Å; H270-I303 VanDerWaalsContact CD2-O 3.27Å; H270-I303 WeakPolarHBondContact ND1-CB 3.37Å; H270-I303 WeakPolarHBondContact ND1-CG2 3.37Å; H270-I303 PolarHBondContact O-N 3.37Å; I272-I303 HydrophobicContact CD1-CD1 3.57Å; I272-I303 HydrophobicContact CG1-CD1 4.24Å
304	L	65	Low	91.5	Very high	159 Å²	159	31.9 Å²	31.9	83%	0.832	17%	0.166	S	C	*	.			trans	-103.9	0	-177.9	-66.3	171.9	0	0	0	110.7	I302	I302-L304 HydrophobicContact CG2-CD2 3.8Å; I302-L304 HydrophobicContact CG2-CG 4.36Å; I302-L304 PolarHBondContact O-N 3.43Å

Retrieved 304 of 304 residues in 76.1 ms (Link to these results)

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