A0A060XFK6_ONCMY Loading...

Protein disulfide-isomerase A5

AlphaFold DB , UniProt , Accession A0A060XFK6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	37.5	Very low	241 Å²	241	166.5 Å²	166.5	100%	1.187	84%	0.836	S	S	*	*				0	95	0	-68.4	168.5	179.2	0	0	106.2
2	R	30.9	Very low	37.1	Very low	242 Å²	242	164.1 Å²	164.1	91%	0.913	83%	0.826	S	S	*	*				43.7	117	98.4	-80.9	-166.7	-171.2	-172.6	4.2	110.4
3	T	35.5	Very low	36.7	Very low	140 Å²	140	169.3 Å²	169.3	86%	0.859	83%	0.83	S	S	*	*			cis	-171.2	163.2	41.4	43.4	0	0	0	0	108
4	G	32.5	Very low	36.1	Very low	75 Å²	75	164.5 Å²	164.5	77%	0.773	82%	0.821	S	S	*	*			cis	-177	164.1	13.2	0	0	0	0	0	111.8
5	Y	33.2	Very low	35.8	Very low	233 Å²	233	164.1 Å²	164.1	91%	0.914	82%	0.822	S	S	*	*			trans	-92.7	-160.6	-179.1	-93.7	-85.7	0	0	0	111.1
6	P	56.1	Low	35.6	Very low	108 Å²	108	160.4 Å²	160.4	70%	0.701	83%	0.825	S	S	*	*				-126.4	-129.1	-106.5	39.5	-13	0	0	0	111.4
7	P	57.8	Low	35.2	Very low	101 Å²	101	154.9 Å²	154.9	66%	0.656	82%	0.817	S	S	*	*				-118.9	-165.7	-73.4	35.2	-14.5	0	0	0	114.7
8	K	34.2	Very low	34.9	Very low	185 Å²	185	157.6 Å²	157.6	80%	0.804	82%	0.821	S	S	*	*			trans	87.1	126.6	148.3	-80.4	177.1	175.9	-175.9	0	120.9
9	L	31.3	Very low	34.7	Very low	146 Å²	146	153.8 Å²	153.8	76%	0.764	81%	0.81	S	S	*	*				146	143.2	95.5	-137.5	84.4	0	0	0	116.1
10	H	32	Very low	34.5	Very low	161 Å²	161	157.1 Å²	157.1	75%	0.745	81%	0.811	S	S	*	*			trans	-24.1	153.9	164.4	-80	-97.1	0	0	0	123.5
11	F	31.2	Very low	34.3	Very low	200 Å²	200	156.9 Å²	156.9	88%	0.877	81%	0.81	S	S	*	*			trans	-161.1	167.2	133.8	-114.5	-90.6	0	0	0	109.3
12	L	32.2	Very low	33.7	Very low	137 Å²	137	149.7 Å²	149.7	72%	0.717	78%	0.783	S	S	*	*				-162.8	160.9	-76.6	-125.8	171.4	0	0	0	107.1
13	R	31.5	Very low	33.7	Very low	232 Å²	232	146.5 Å²	146.5	88%	0.875	78%	0.778	S	S	*	*			trans	85.5	113.4	168.2	-64.6	-179.7	168.1	-172	-4	117.2
14	S	29.3	Very low	33.4	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	78%	0.779	S	S	*	*			cis	81.3	112	43.2	-162.6	0	0	0	0	114.9
15	L	31.6	Very low	34.3	Very low	159 Å²	159	150.6 Å²	150.6	83%	0.832	77%	0.773	S	S	*	*				171.9	136.5	104.4	-89.6	170.3	0	0	0	113.7
16	A	32	Very low	34.1	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	77%	0.765	S	S	*	*			trans	57.2	142.1	147.4	0	0	0	0	0	120
17	G	28.9	Very low	32.7	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	77%	0.769	S	S	*	*			cis	160.6	125.7	5.5	0	0	0	0	0	109.5
18	F	30	Very low	31.4	Very low	202 Å²	202	146.7 Å²	146.7	89%	0.886	78%	0.779	S	S	*	*			trans	48.8	117.8	147.8	-90.3	-106.1	0	0	0	123.3
19	S	30.5	Very low	31.2	Very low	87 Å²	87	143.8 Å²	143.8	61%	0.608	78%	0.781	S	S	*	*				90.9	127.8	117.7	-80	0	0	0	0	124.4
20	R	30.3	Very low	31.2	Very low	218 Å²	218	143.9 Å²	143.9	82%	0.823	79%	0.787	S	S	*	*			trans	75.4	114.2	137.1	-73.3	-174.2	-166.4	-159.5	2.6	122.3
21	I	30.2	Very low	31.1	Very low	154 Å²	154	141 Å²	141	79%	0.79	79%	0.785	S	S	*	*				39.3	117.9	115.5	-51.2	166.5	0	0	0	117.3
22	S	27.3	Very low	31.1	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	79%	0.787	S	S	*	*				160	135.3	111.8	-156.8	0	0	0	0	113.8
23	E	29.6	Very low	31.1	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	80%	0.799	S	S	*	*			trans	45	115	141.2	-67.8	174.7	150.3	0	0	124.8
24	K	30	Very low	31	Very low	200 Å²	200	139.9 Å²	139.9	87%	0.87	80%	0.795	S	S	*	*			trans	43	-171.4	136.1	-60.3	-171.2	173.8	176.6	0	120
25	P	51.8	Low	31.1	Very low	101 Å²	101	143.5 Å²	143.5	66%	0.656	81%	0.806	S	S	*	*				-115.9	-179.9	-96.1	37.2	-18.5	0	0	0	112.5
26	D	27.9	Very low	31	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	80%	0.8	S	S	*	*				160.2	144.1	124.6	-94.1	-36.3	0	0	0	116.1
27	C	27.8	Very low	31	Very low	115 Å²	115	142.2 Å²	142.2	78%	0.777	80%	0.8	S	S	*	*			trans	31.5	134.6	138.2	-62.3	0	0	0	0	122
28	A	30.7	Very low	31.1	Very low	104 Å²	104	147.9 Å²	147.9	86%	0.86	81%	0.811	S	S	*	*			trans	-143	119.3	143.2	0	0	0	0	0	111.6
29	C	28.1	Very low	31.2	Very low	125 Å²	125	143 Å²	143	85%	0.845	81%	0.808	S	S	*	*			trans	-70.4	152.4	165.1	-72	0	0	0	0	111.6
30	V	32	Very low	31.3	Very low	148 Å²	148	143.7 Å²	143.7	90%	0.897	81%	0.812	S	S	*	*			trans	-134.7	128.1	151.5	177.8	0	0	0	0	109.7
31	S	29.1	Very low	31.3	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	82%	0.815	S	S	*	*			trans	-82.8	157.8	179.8	80.5	0	0	0	0	113.2
32	K	32.2	Very low	31.5	Very low	211 Å²	211	144 Å²	144	92%	0.917	81%	0.814	S	S	*	*				-165.5	144.8	121.8	-107.9	174.3	-176.2	-178.7	0	112.5
33	R	31.4	Very low	31.9	Very low	256 Å²	256	149.6 Å²	149.6	97%	0.966	82%	0.822	S	S	*	*			trans	-77.4	157.4	-177.1	-66.3	175.3	-175.9	177.5	0.1	113
34	G	30	Very low	32.2	Very low	78 Å²	78	152.3 Å²	152.3	80%	0.804	83%	0.826	S	S	*	*			trans	-171.5	112	156.8	0	0	0	0	0	111.2
35	N	31.7	Very low	32.8	Very low	178 Å²	178	146 Å²	146	95%	0.952	82%	0.818	S	S	*	*			trans	-72.5	153.6	-179.9	-91.5	-15.7	0	0	0	113.1
36	G	29.3	Very low	32.3	Very low	67 Å²	67	147.6 Å²	147.6	69%	0.691	83%	0.832	S	S	*	*				130	123.6	126.2	0	0	0	0	0	119.1
37	I	31.1	Very low	32.9	Very low	169 Å²	169	143.5 Å²	143.5	87%	0.867	82%	0.823	S	S	*	*			trans	100	105.6	145.4	-50	172.3	0	0	0	117.1
38	M	32.6	Very low	33.6	Very low	188 Å²	188	144.9 Å²	144.9	93%	0.926	82%	0.819	S	S	*	*			trans	-72	141.2	154	-68.3	-173.8	-160.2	0	0	110.2
39	A	31.2	Very low	34.3	Very low	99 Å²	99	150.6 Å²	150.6	82%	0.818	82%	0.819	S	S	*	*			trans	-160	132.6	135.6	0	0	0	0	0	110.6
40	S	33.3	Very low	35.4	Very low	101 Å²	101	150 Å²	150	71%	0.706	80%	0.804	S	S	*	*			trans	-50.8	152.5	171.3	167.9	0	0	0	0	113.3
41	W	28.8	Very low	36.3	Very low	232 Å²	232	148.5 Å²	148.5	88%	0.879	79%	0.79	S	S	*	*				-178.8	154.1	115.6	-99	47.2	0	0	0	112.2
42	N	34.8	Very low	37.3	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	79%	0.786	S	S	*	*			trans	-84.6	164.6	-164.7	-148.2	-4.4	0	0	0	112.5
43	R	36.6	Very low	38.4	Very low	208 Å²	208	145.3 Å²	145.3	79%	0.785	77%	0.766	S	S	*	*			trans	89.9	109.7	170.3	-58.5	-179.6	-118.2	-139.3	-3.4	117.3
44	Y	35.8	Very low	39.5	Very low	231 Å²	231	140.2 Å²	140.2	91%	0.906	75%	0.748	S	S	*	*				-172.5	102	108	-118.6	-97.3	0	0	0	109.5
45	G	42.6	Very low	40.9	Very low	68 Å²	68	141 Å²	141	70%	0.701	73%	0.733	S	S	*	*			trans	-76.3	159.2	162.6	0	0	0	0	0	110.1
46	S	42.2	Very low	42.3	Very low	135 Å²	135	139.4 Å²	139.4	94%	0.944	72%	0.718	S	S	*	*	S	Bend	trans	91.9	45.7	174.9	-157.8	0	0	0	0	117.8
47	G	40.5	Very low	43.7	Very low	54 Å²	54	139.9 Å²	139.9	56%	0.557	71%	0.707	S	S	*	*	S	Bend	trans	-136.6	-7.7	159.2	0	0	0	0	0	114.9
48	M	42.1	Very low	44.9	Very low	144 Å²	144	136.8 Å²	136.8	71%	0.709	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-3.8	-162.9	-138.7	166.7	58	0	0	114.7	K52	M48-K52 WeakPolarHBondContact O-CG 3.38Å
49	R	45.9	Very low	45.9	Very low	225 Å²	225	133 Å²	133	85%	0.849	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-41	174.7	-81.9	-175.5	172.3	-169.8	-2.1	112.2	K52 M53	R49-K52 PolarHBondContact O-N 3.21Å; R49-M53 WeakPolarHBondContact O-CB 3.39Å; R49-M53 PolarHBondContact O-N 3.49Å
50	E	49.6	Very low	47	Very low	112 Å²	112	132 Å²	132	52%	0.523	66%	0.659	S	S	.	*	H	α-helix	trans	-65.8	-44.7	177	-73.8	-66	144	0	0	111.8	K52 M53 Y54	E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 3.15Å; E50-M53 PolarHBondContact O-N 3.38Å; E50-M53 VanDerWaalsContact O-N 3.15Å; E50-Y54 WeakPolarHBondContact O-CD2 3.43Å; E50-Y54 PolarHBondContact O-N 2.82Å
51	L	51.2	Low	47.6	Very low	116 Å²	116	130.5 Å²	130.5	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-66.7	-33.8	179.6	-164.2	69.8	0	0	0	112.9	I55	L51-I55 HydrophobicContact CG-CD1 4.13Å; L51-I55 WeakPolarHBondContact O-CB 3.21Å; L51-I55 WeakPolarHBondContact O-CD1 3.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 3.34Å
52	K	50.3	Low	48.2	Very low	143 Å²	143	124 Å²	124	62%	0.622	63%	0.629	S	S	*	*	H	α-helix	trans	-71.1	-34.7	173.6	-78.2	-174.4	175.8	-175.2	0	111.9	M48 R49 E50 F56	M48-K52 WeakPolarHBondContact O-CG 3.38Å; R49-K52 PolarHBondContact O-N 3.21Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 3.15Å; K52-F56 VanDerWaalsContact O-CB 3.23Å; K52-F56 WeakPolarHBondContact O-CB 3.22Å; K52-F56 PolarHBondContact O-N 2.82Å
53	M	54.6	Low	48.5	Very low	102 Å²	102	120.3 Å²	120.3	50%	0.502	62%	0.619	S	S	.	*	H	α-helix	trans	-70.2	-41.9	176.5	-164.2	170.3	69.8	0	0	111.3	R49 E50 F56 V57	R49-M53 WeakPolarHBondContact O-CB 3.39Å; R49-M53 PolarHBondContact O-N 3.49Å; E50-M53 PolarHBondContact O-N 3.38Å; E50-M53 VanDerWaalsContact O-N 3.15Å; M53-F56 PolarHBondContact O-N 2.78Å; M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 VanDerWaalsContact O-CG2 3.22Å; M53-V57 WeakPolarHBondContact O-CG2 3.23Å; M53-V57 PolarHBondContact O-N 2.9Å
54	Y	54.6	Low	48.6	Very low	149 Å²	149	114.6 Å²	114.6	58%	0.584	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-37.5	174.8	-88.4	-82.9	0	0	0	113.2	E50 L58	E50-Y54 WeakPolarHBondContact O-CD2 3.43Å; E50-Y54 PolarHBondContact O-N 2.82Å; Y54-L58 VanDerWaalsContact O-CB 3.31Å; Y54-L58 WeakPolarHBondContact O-CB 3.31Å; Y54-L58 PolarHBondContact O-N 3.04Å
55	I	60.4	Low	48.8	Very low	94 Å²	94	109.1 Å²	109.1	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-68.3	-37	173.6	-70.5	168.6	0	0	0	111	L51 L58 L59	L51-I55 HydrophobicContact CG-CD1 4.13Å; L51-I55 WeakPolarHBondContact O-CB 3.21Å; L51-I55 WeakPolarHBondContact O-CD1 3.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 3.34Å; I55-L58 PolarHBondContact O-N 3.48Å; I55-L59 HydrophobicContact CG2-CD1 3.76Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 VanDerWaalsContact O-CB 3.23Å; I55-L59 WeakPolarHBondContact O-CB 3.46Å; I55-L59 WeakPolarHBondContact O-CD1 3.23Å; I55-L59 VanDerWaalsContact O-CG 3.29Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 2.95Å
56	F	60.2	Low	48.6	Very low	145 Å²	145	112.6 Å²	112.6	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-70.5	-39.5	176.1	-156.9	-95.8	0	0	0	111.6	K52 M53 L59 V60	K52-F56 VanDerWaalsContact O-CB 3.23Å; K52-F56 WeakPolarHBondContact O-CB 3.22Å; K52-F56 PolarHBondContact O-N 2.82Å; M53-F56 PolarHBondContact O-N 2.78Å; F56-L59 PolarHBondContact O-N 3.01Å; F56-V60 HydrophobicContact CD1-CG2 3.99Å; F56-V60 HydrophobicContact CE1-CG2 3.99Å; F56-V60 VanDerWaalsContact O-CB 3.31Å; F56-V60 WeakPolarHBondContact O-CB 3.1Å; F56-V60 WeakPolarHBondContact O-CG2 3.2Å; F56-V60 PolarHBondContact O-N 3.14Å
57	V	59.5	Low	48.4	Very low	76 Å²	76	114.7 Å²	114.7	46%	0.461	60%	0.598	S	S	.	*	H	α-helix	trans	-68.2	-39.4	172.9	173.3	0	0	0	0	110.8	M53 V60 C61	M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 VanDerWaalsContact O-CG2 3.22Å; M53-V57 WeakPolarHBondContact O-CG2 3.23Å; M53-V57 PolarHBondContact O-N 2.9Å; V57-V60 PolarHBondContact O-N 2.69Å; V57-C61 WeakPolarHBondContact O-CB 3.44Å; V57-C61 PolarHBondContact O-N 3.39Å; V57-C61 PolarHBondContact O-SG 3.29Å
58	L	55.5	Low	48.3	Very low	105 Å²	105	116.9 Å²	116.9	55%	0.55	61%	0.61	S	S	.	*	H	α-helix	trans	-65.1	-38.4	172.4	-117	104.6	0	0	0	112	Y54 I55 C61 L62	Y54-L58 VanDerWaalsContact O-CB 3.31Å; Y54-L58 WeakPolarHBondContact O-CB 3.31Å; Y54-L58 PolarHBondContact O-N 3.04Å; I55-L58 PolarHBondContact O-N 3.48Å; L58-C61 PolarHBondContact O-N 2.82Å; L58-L62 HydrophobicContact CD2-CD1 4.18Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CD1 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 2.74Å
59	L	54.9	Low	48.6	Very low	108 Å²	108	113.9 Å²	113.9	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-70.5	-34.1	175.7	-82.3	162.6	0	0	0	112	I55 F56 A63	I55-L59 HydrophobicContact CG2-CD1 3.76Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 VanDerWaalsContact O-CB 3.23Å; I55-L59 WeakPolarHBondContact O-CB 3.46Å; I55-L59 WeakPolarHBondContact O-CD1 3.23Å; I55-L59 VanDerWaalsContact O-CG 3.29Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 2.95Å; F56-L59 PolarHBondContact O-N 3.01Å; L59-A63 WeakPolarHBondContact O-CB 3.31Å; L59-A63 PolarHBondContact O-N 2.75Å
60	V	54.7	Low	49.1	Very low	79 Å²	79	105.2 Å²	105.2	48%	0.479	58%	0.581	S	S	.	*	H	α-helix	trans	-74.5	-34.4	173.6	171.4	0	0	0	0	111	F56 V57 S64	F56-V60 HydrophobicContact CD1-CG2 3.99Å; F56-V60 HydrophobicContact CE1-CG2 3.99Å; F56-V60 VanDerWaalsContact O-CB 3.31Å; F56-V60 WeakPolarHBondContact O-CB 3.1Å; F56-V60 WeakPolarHBondContact O-CG2 3.2Å; F56-V60 PolarHBondContact O-N 3.14Å; V57-V60 PolarHBondContact O-N 2.69Å; V60-S64 PolarHBondContact O-N 3.17Å; V60-S64 PolarHBondContact O-OG 3.07Å
61	C	45	Very low	49.6	Very low	69 Å²	69	109.7 Å²	109.7	47%	0.466	60%	0.598	S	S	.	*	H	α-helix	trans	-73.7	-33.1	172.6	-72.8	0	0	0	0	112.6	V57 L58 S64 V65	V57-C61 WeakPolarHBondContact O-CB 3.44Å; V57-C61 PolarHBondContact O-N 3.39Å; V57-C61 PolarHBondContact O-SG 3.29Å; L58-C61 PolarHBondContact O-N 2.82Å; C61-S64 VanDerWaalsContact CA-OG 3.27Å; C61-S64 WeakPolarHBondContact CA-OG 3.45Å; C61-S64 PolarHBondContact O-N 3.43Å; C61-S64 PolarHBondContact O-OG 3.34Å; C61-V65 VanDerWaalsContact O-CG2 3.29Å; C61-V65 WeakPolarHBondContact O-CG2 3.14Å; C61-V65 PolarHBondContact O-N 2.81Å
62	L	41.5	Very low	50.6	Low	94 Å²	94	105.8 Å²	105.8	49%	0.492	58%	0.58	S	S	.	*	H	α-helix	trans	-76.4	-32.9	171.1	-86.1	152.9	0	0	0	111.8	L58 S64 V65 L66	L58-L62 HydrophobicContact CD2-CD1 4.18Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CD1 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 2.74Å; L62-S64 PolarHBondContact O-N 3.5Å; L62-V65 PolarHBondContact O-N 3.37Å; L62-V65 VanDerWaalsContact O-N 3.17Å; L62-L66 PolarHBondContact O-N 3.46Å
63	A	40.3	Very low	52.2	Low	69 Å²	69	100.3 Å²	100.3	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-23.3	171.6	0	0	0	0	0	112.7	L59	L59-A63 WeakPolarHBondContact O-CB 3.31Å; L59-A63 PolarHBondContact O-N 2.75Å
64	S	38.4	Very low	53.8	Low	88 Å²	88	101.6 Å²	101.6	62%	0.615	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-2.6	171.9	36.3	0	0	0	0	114	V60 C61 L62	V60-S64 PolarHBondContact O-N 3.17Å; V60-S64 PolarHBondContact O-OG 3.07Å; C61-S64 VanDerWaalsContact CA-OG 3.27Å; C61-S64 WeakPolarHBondContact CA-OG 3.45Å; C61-S64 PolarHBondContact O-N 3.43Å; C61-S64 PolarHBondContact O-OG 3.34Å; L62-S64 PolarHBondContact O-N 3.5Å
65	V	41.1	Very low	55.5	Low	116 Å²	116	97.2 Å²	97.2	70%	0.703	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-1.6	175.1	177.4	0	0	0	0	112.6	C61 L62	C61-V65 VanDerWaalsContact O-CG2 3.29Å; C61-V65 WeakPolarHBondContact O-CG2 3.14Å; C61-V65 PolarHBondContact O-N 2.81Å; L62-V65 PolarHBondContact O-N 3.37Å; L62-V65 VanDerWaalsContact O-N 3.17Å
66	L	38.1	Very low	57.1	Low	142 Å²	142	93.1 Å²	93.1	74%	0.743	54%	0.54	S	S	*	.			trans	-113.4	52.6	172.6	-91.1	149.5	0	0	0	112.1	L62	L62-L66 PolarHBondContact O-N 3.46Å
67	Q	38.9	Very low	58.7	Low	178 Å²	178	89.8 Å²	89.8	83%	0.832	53%	0.527	S	S	*	.			trans	-117.7	83.4	150.8	-80.6	179.2	-13.4	0	0	107.5	A69	Q67-A69 PolarHBondContact O-N 2.8Å
68	A	37.6	Very low	60.3	Low	100 Å²	100	92.4 Å²	92.4	83%	0.826	53%	0.532	S	S	*	.			trans	-63.1	88.6	156.2	0	0	0	0	0	106.6	V70	A68-V70 PolarHBondContact O-N 2.93Å; A68-V70 VanDerWaalsContact O-N 3.1Å
69	A	49.4	Very low	62.1	Low	82 Å²	82	87.7 Å²	87.7	68%	0.678	51%	0.508	S	S	*	.			trans	-58.1	117.6	172.3	0	0	0	0	0	107	Q67 K71	Q67-A69 PolarHBondContact O-N 2.8Å; A69-K71 PolarHBondContact O-N 2.94Å
70	V	55.3	Low	63.7	Low	43 Å²	43	84.9 Å²	84.9	26%	0.261	50%	0.497	S	S	.	.			trans	-54.3	110.4	173	175.7	0	0	0	0	107.1	A68 V72 A103 T104 D107 F110	A68-V70 PolarHBondContact O-N 2.93Å; A68-V70 VanDerWaalsContact O-N 3.1Å; V70-V72 VanDerWaalsContact C-N 3.31Å; V70-V72 HydrophobicContact CG1-CG2 4.02Å; V70-V72 PolarHBondContact O-N 3.1Å; V70-A103 HydrophobicContact CG2-CB 3.95Å; V70-T104 HydrophobicContact CG2-CG2 4.29Å; V70-D107 VanDerWaalsContact CG1-OD1 3.28Å; V70-D107 WeakPolarHBondContact CG1-OD1 3.3Å; V70-F110 HydrophobicContact CG1-CD2 4.08Å; V70-F110 HydrophobicContact CG1-CE2 3.9Å
71	K	61	Low	65.4	Low	205 Å²	205	83.8 Å²	83.8	89%	0.891	49%	0.489	S	S	*	.			trans	-74.4	86.8	-179.8	-75.4	-175.4	179.2	179.2	0	108.6	A69	A69-K71 PolarHBondContact O-N 2.94Å
72	V	71.6	Confident	67.6	Low	35 Å²	35	82.5 Å²	82.5	21%	0.212	48%	0.475	C	S	.	.			trans	-74.7	131.5	170.5	-179.1	0	0	0	0	108.5	V70 I76 F110 W128	V70-V72 VanDerWaalsContact C-N 3.31Å; V70-V72 HydrophobicContact CG1-CG2 4.02Å; V70-V72 PolarHBondContact O-N 3.1Å; V72-I76 HydrophobicContact CG1-CB 3.8Å; V72-I76 HydrophobicContact CG1-CD1 4.2Å; V72-I76 HydrophobicContact CG1-CG2 3.99Å; V72-F110 HydrophobicContact CG1-CD1 4.25Å; V72-F110 HydrophobicContact CG1-CE1 4.36Å; V72-F110 HydrophobicContact CG2-CD1 4.28Å; V72-F110 HydrophobicContact CG2-CD2 4.39Å; V72-F110 HydrophobicContact CG2-CE1 4.05Å; V72-F110 HydrophobicContact CG2-CE2 4.21Å; V72-F110 HydrophobicContact CG2-CG 4.47Å; V72-F110 HydrophobicContact CG2-CZ 4.04Å; V72-W128 HydrophobicContact CB-CE3 4.4Å; V72-W128 HydrophobicContact CB-CZ3 4.45Å; V72-W128 HydrophobicContact CG1-CE3 4.25Å; V72-W128 HydrophobicContact CG2-CD2 4.47Å; V72-W128 HydrophobicContact CG2-CE3 3.75Å; V72-W128 HydrophobicContact CG2-CH2 4.22Å; V72-W128 HydrophobicContact CG2-CZ3 3.59Å
73	S	83.4	Confident	70	Confident	27 Å²	27	86.2 Å²	86.2	19%	0.189	49%	0.488	C	S	.	.			trans	-55.6	141.6	178.1	175.1	0	0	0	0	111.2	L75 I76 S114	S73-L75 PolarHBondContact O-N 3.34Å; S73-L75 PolarHBondContact OG-N 3.06Å; S73-I76 PolarHBondContact O-N 3.07Å; S73-S114 WeakPolarHBondContact CB-OG 3.42Å; S73-S114 PolarHBondContact OG-OG 3.33Å
74	P	87.6	Confident	72.6	Confident	129 Å²	129	86.4 Å²	86.4	84%	0.838	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.5	176	28.4	-36.3	0	0	0	113.2
75	L	90.9	Very high	75.3	Confident	58 Å²	58	82.4 Å²	82.4	30%	0.304	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.6	174.1	-60.3	174.1	0	0	0	113.2	S73 A117 Q118	S73-L75 PolarHBondContact O-N 3.34Å; S73-L75 PolarHBondContact OG-N 3.06Å; L75-A117 HydrophobicContact CB-CB 3.9Å; L75-Q118 HydrophobicContact CD1-CB 3.9Å; L75-Q118 VanDerWaalsContact CD1-OE1 3.23Å
76	I	93.3	Very high	77.8	Confident	7 Å²	7	82.9 Å²	82.9	4%	0.036	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.4	177.3	-58.7	175.1	0	0	0	107.9	V72 S73 K78 F110 L113 I126 W128	V72-I76 HydrophobicContact CG1-CB 3.8Å; V72-I76 HydrophobicContact CG1-CD1 4.2Å; V72-I76 HydrophobicContact CG1-CG2 3.99Å; S73-I76 PolarHBondContact O-N 3.07Å; I76-K78 PolarHBondContact O-N 2.68Å; I76-F110 HydrophobicContact CD1-CD1 4Å; I76-L113 HydrophobicContact CD1-CB 3.9Å; I76-I126 WeakPolarHBondContact CA-O 3.17Å; I76-I126 HydrophobicContact CG1-CG2 4.46Å; I76-I126 HydrophobicContact CG2-CG2 4.39Å; I76-W128 HydrophobicContact CG2-CB 3.7Å
77	E	93.8	Very high	80.5	Confident	75 Å²	75	82.5 Å²	82.5	35%	0.35	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.2	-179.8	-67.9	-156.4	-158	0	0	110.6	L88 R92 T125 I126 A127 W128	E77-L88 WeakPolarHBondContact OE2-CD1 3.03Å; E77-R92 IonicContact OE1-NH2 3.58Å; E77-T125 HydrophobicContact CG-CG2 4.24Å; E77-I126 PolarHBondContact N-O 2.85Å; E77-A127 HydrophobicContact CB-CB 4.25Å; E77-A127 CarbonylContact O-C 3.49Å; E77-A127 WeakPolarHBondContact O-CA 3.42Å; E77-A127 WeakPolarHBondContact O-CB 3.31Å; E77-W128 PolarHBondContact O-N 3Å
78	K	93.6	Very high	83.2	Confident	131 Å²	131	74.4 Å²	74.4	57%	0.57	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.5	174.8	-175.9	-178.4	178.6	-175.3	0	109.9	I76 W128	I76-K78 PolarHBondContact O-N 2.68Å; K78-W128 HydrophobicContact CB-CE3 4.38Å; K78-W128 HydrophobicContact CD-CE3 4.34Å; K78-W128 HydrophobicContact CD-CZ3 3.94Å; K78-W128 HydrophobicContact CG-CE3 3.92Å; K78-W128 HydrophobicContact CG-CZ3 4.02Å
79	V	94.1	Very high	86	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.042	36%	0.363	C	S	.	.			trans	-118.1	118.1	179.6	179	0	0	0	0	109.3	D81 D84 L85 L88 A127 W128 V129 L139	V79-D81 WeakPolarHBondContact CG1-O 3.32Å; V79-D84 HydrophobicContact CG1-CB 4.08Å; V79-L85 HydrophobicContact CG1-CB 3.74Å; V79-L85 HydrophobicContact CG1-CD1 4.35Å; V79-L88 HydrophobicContact CG2-CD2 3.94Å; V79-A127 HydrophobicContact CG2-CB 4.22Å; V79-W128 PolarHBondContact N-O 2.79Å; V79-V129 HydrophobicContact CB-CG2 3.9Å; V79-V129 HydrophobicContact CG1-CG2 4.23Å; V79-L139 HydrophobicContact CG1-CD2 4.17Å
80	S	88.4	Confident	88.1	Confident	49 Å²	49	76.6 Å²	76.6	34%	0.343	37%	0.369	S	S	.	.			trans	-102.5	-21.8	-174.2	-50.8	0	0	0	0	113	E135	S80-E135 CarbonylContact O-C 3.01Å; S80-E135 WeakPolarHBondContact O-CB 3.48Å
81	D	90.7	Very high	89.9	Confident	56 Å²	56	78.6 Å²	78.6	30%	0.299	38%	0.381	S	S	.	.	S	Bend	trans	-142.6	173.7	-178.5	78.1	50.2	0	0	0	114.1	V79 K83 D84 L85	V79-D81 WeakPolarHBondContact CG1-O 3.32Å; D81-K83 WeakPolarHBondContact OD1-CA 3.48Å; D81-K83 WeakPolarHBondContact OD1-CB 3.44Å; D81-K83 PolarHBondContact OD1-N 3.04Å; D81-D84 PolarHBondContact OD1-N 3.17Å; D81-L85 PolarHBondContact O-N 2.87Å; D81-L85 VanDerWaalsContact O-N 3.14Å
82	H	91.1	Very high	91.6	Very high	41 Å²	41	74.4 Å²	74.4	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-75.8	-24.3	-174.2	-171.3	70	0	0	0	114.9	K86 L139 K142	H82-K86 WeakPolarHBondContact NE2-CE 3.47Å; H82-K86 PolarHBondContact NE2-NZ 3.47Å; H82-K86 VanDerWaalsContact NE2-NZ 3.17Å; H82-K86 WeakPolarHBondContact O-CB 3.28Å; H82-K86 WeakPolarHBondContact O-CG 3.4Å; H82-K86 PolarHBondContact O-N 3.42Å; H82-K86 VanDerWaalsContact O-N 3.13Å; H82-L139 VanDerWaalsContact CA-CD1 3.5Å; H82-L139 HydrophobicContact CB-CD1 3.73Å; H82-K142 HydrophobicContact CB-CD 4.15Å
83	K	91.8	Very high	92.6	Very high	172 Å²	172	76 Å²	76	75%	0.748	37%	0.373	S	S	*	.	H	α-helix	trans	-72.5	-42.8	175	-66.7	-179.2	179.2	177.3	0	109.5	D81 K86 K87	D81-K83 WeakPolarHBondContact OD1-CA 3.48Å; D81-K83 WeakPolarHBondContact OD1-CB 3.44Å; D81-K83 PolarHBondContact OD1-N 3.04Å; K83-K86 PolarHBondContact O-N 3.2Å; K83-K87 WeakPolarHBondContact O-CB 3.22Å; K83-K87 PolarHBondContact O-N 3.16Å
84	D	94.1	Very high	93.2	Very high	73 Å²	73	75.6 Å²	75.6	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.9	-73.5	-14.6	0	0	0	111.6	V79 D81 K86 K87 L88	V79-D84 HydrophobicContact CG1-CB 4.08Å; D81-D84 PolarHBondContact OD1-N 3.17Å; D84-K86 PolarHBondContact O-N 3.38Å; D84-K87 PolarHBondContact O-N 3.09Å; D84-L88 WeakPolarHBondContact O-CB 3.47Å; D84-L88 PolarHBondContact O-N 3.39Å
85	L	94.6	Very high	93.7	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-47.3	174.4	-173.8	60.4	0	0	0	111.2	V79 D81 K87 L88 L89 V97 L139 V143	V79-L85 HydrophobicContact CG1-CB 3.74Å; V79-L85 HydrophobicContact CG1-CD1 4.35Å; D81-L85 PolarHBondContact O-N 2.87Å; D81-L85 VanDerWaalsContact O-N 3.14Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 2.89Å; L85-L89 HydrophobicContact CD1-CD1 4.2Å; L85-L89 HydrophobicContact CD1-CG 4.14Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.3Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.33Å; L85-V97 HydrophobicContact CD1-CG2 4.35Å; L85-L139 HydrophobicContact CB-CD1 4.22Å; L85-L139 HydrophobicContact CD2-CD1 3.81Å; L85-V143 HydrophobicContact CD2-CG1 3.86Å
86	K	94.5	Very high	94	Very high	126 Å²	126	66.7 Å²	66.7	55%	0.548	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-40.8	177.4	-83.6	179.6	163	169.3	0	112.5	H82 K83 D84 R90	H82-K86 WeakPolarHBondContact NE2-CE 3.47Å; H82-K86 PolarHBondContact NE2-NZ 3.47Å; H82-K86 VanDerWaalsContact NE2-NZ 3.17Å; H82-K86 WeakPolarHBondContact O-CB 3.28Å; H82-K86 WeakPolarHBondContact O-CG 3.4Å; H82-K86 PolarHBondContact O-N 3.42Å; H82-K86 VanDerWaalsContact O-N 3.13Å; K83-K86 PolarHBondContact O-N 3.2Å; D84-K86 PolarHBondContact O-N 3.38Å; K86-R90 VanDerWaalsContact O-CB 3.31Å; K86-R90 WeakPolarHBondContact O-CB 3.48Å; K86-R90 PolarHBondContact O-N 3.3Å
87	K	95.4	Very high	94.2	Very high	135 Å²	135	66.3 Å²	66.3	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-62.1	-49.4	176.6	-177.5	-177.6	175.8	-173.7	0	110.1	K83 D84 L85 L89 R90 T91	K83-K87 WeakPolarHBondContact O-CB 3.22Å; K83-K87 PolarHBondContact O-N 3.16Å; D84-K87 PolarHBondContact O-N 3.09Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.28Å; K87-L89 PolarHBondContact O-N 3.36Å; K87-R90 PolarHBondContact O-N 3.49Å; K87-T91 HydrophobicContact CG-CG2 4.5Å; K87-T91 WeakPolarHBondContact O-CG2 3Å; K87-T91 PolarHBondContact O-N 2.84Å; K87-T91 PolarHBondContact O-OG1 3.36Å
88	L	95.8	Very high	94.3	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-55.1	-54.4	177.7	178.2	62.2	0	0	0	110.9	E77 V79 D84 L85 R90 T91 R92 V95 T125 A127	E77-L88 WeakPolarHBondContact OE2-CD1 3.03Å; V79-L88 HydrophobicContact CG2-CD2 3.94Å; D84-L88 WeakPolarHBondContact O-CB 3.47Å; D84-L88 PolarHBondContact O-N 3.39Å; L85-L88 PolarHBondContact O-N 2.89Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.72Å; L88-T91 PolarHBondContact O-N 3.18Å; L88-T91 PolarHBondContact O-OG1 3.11Å; L88-R92 HydrophobicContact CD1-CB 4.43Å; L88-R92 HydrophobicContact CD1-CG 3.7Å; L88-R92 WeakPolarHBondContact O-CB 3.22Å; L88-R92 PolarHBondContact O-N 3.49Å; L88-V95 HydrophobicContact CD2-CG1 3.89Å; L88-V95 HydrophobicContact CG-CG1 4.26Å; L88-T125 HydrophobicContact CD1-CG2 4.13Å; L88-A127 HydrophobicContact CD2-CB 3.58Å
89	L	95.2	Very high	94.3	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-28.1	-179.6	-66.3	-175.1	0	0	0	113.4	L85 K87 V95 Y159 G162	L85-L89 HydrophobicContact CD1-CD1 4.2Å; L85-L89 HydrophobicContact CD1-CG 4.14Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.3Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.33Å; K87-L89 PolarHBondContact O-N 3.36Å; L89-V95 HydrophobicContact CD2-CB 3.91Å; L89-V95 HydrophobicContact CD2-CG1 4.19Å; L89-V95 HydrophobicContact CD2-CG2 4.02Å; L89-Y159 HydrophobicContact CD1-CD1 3.66Å; L89-Y159 HydrophobicContact CD1-CE1 4.01Å; L89-Y159 HydrophobicContact CD1-CG 4.04Å; L89-Y159 VanDerWaalsContact CD2-CB 3.42Å; L89-Y159 HydrophobicContact CD2-CD1 4.09Å; L89-Y159 HydrophobicContact CD2-CD2 4.05Å; L89-Y159 HydrophobicContact CD2-CG 3.6Å; L89-Y159 HydrophobicContact CG-CG 4.49Å; L89-G162 WeakPolarHBondContact O-CA 3.39Å; L89-G162 PolarHBondContact O-N 3.1Å
90	R	93.5	Very high	94.4	Very high	210 Å²	210	56.2 Å²	56.2	79%	0.792	27%	0.267	S	S	*	.	H	α-helix	trans	-77.1	-31.2	173.6	-170.7	178.2	70.6	163.4	3.4	112.8	K86 K87 L88	K86-R90 VanDerWaalsContact O-CB 3.31Å; K86-R90 WeakPolarHBondContact O-CB 3.48Å; K86-R90 PolarHBondContact O-N 3.3Å; K87-R90 PolarHBondContact O-N 3.49Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.72Å
91	T	94.4	Very high	94.5	Very high	86 Å²	86	59 Å²	59	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-92.4	-20	-175.9	56.6	0	0	0	0	114	K87 L88	K87-T91 HydrophobicContact CG-CG2 4.5Å; K87-T91 WeakPolarHBondContact O-CG2 3Å; K87-T91 PolarHBondContact O-N 2.84Å; K87-T91 PolarHBondContact O-OG1 3.36Å; L88-T91 PolarHBondContact O-N 3.18Å; L88-T91 PolarHBondContact O-OG1 3.11Å
92	R	94.9	Very high	94.4	Very high	116 Å²	116	57.9 Å²	57.9	44%	0.438	27%	0.269	S	S	.	.			trans	-125.9	124.6	-176.9	-56	-62.9	-167.9	161.2	7.6	109	E77 L88 V95 T125	E77-R92 IonicContact OE1-NH2 3.58Å; L88-R92 HydrophobicContact CD1-CB 4.43Å; L88-R92 HydrophobicContact CD1-CG 3.7Å; L88-R92 WeakPolarHBondContact O-CB 3.22Å; L88-R92 PolarHBondContact O-N 3.49Å; R92-V95 HydrophobicContact CB-CG2 3.48Å; R92-V95 VanDerWaalsContact CB-CG2 3.48Å; R92-V95 HydrophobicContact CG-CG2 4.48Å; R92-T125 HydrophobicContact CG-CG2 4.5Å
93	S	93.6	Very high	93.9	Very high	69 Å²	69	57.4 Å²	57.4	48%	0.483	27%	0.272	S	S	.	.	S	Bend	trans	-80.2	-14.3	-178.8	49.1	0	0	0	0	114.1	K160 D161	S93-K160 CarbonylContact O-C 3.6Å; S93-K160 WeakPolarHBondContact O-CA 3.22Å; S93-D161 WeakPolarHBondContact CB-OD1 3.21Å; S93-D161 PolarHBondContact O-N 2.82Å
94	N	96.7	Very high	93.3	Very high	18 Å²	18	53.3 Å²	53.3	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	99.6	-175	-177.7	6.2	0	0	0	109.5	Q123 G124 T125 H158 L181	N94-Q123 PolarHBondContact ND2-O 2.87Å; N94-G124 CarbonylContact O-C 3.57Å; N94-G124 WeakPolarHBondContact O-CA 3.44Å; N94-T125 PolarHBondContact O-N 3.17Å; N94-H158 PolarHBondContact OD1-NE2 3.18Å; N94-L181 PolarHBondContact ND2-O 3.3Å
95	V	97.4	Very high	92.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.7	-171.6	-169.5	0	0	0	0	110.9	L88 L89 R92 V97 T125 A127 H158 Y159	L88-V95 HydrophobicContact CD2-CG1 3.89Å; L88-V95 HydrophobicContact CG-CG1 4.26Å; L89-V95 HydrophobicContact CD2-CB 3.91Å; L89-V95 HydrophobicContact CD2-CG1 4.19Å; L89-V95 HydrophobicContact CD2-CG2 4.02Å; R92-V95 HydrophobicContact CB-CG2 3.48Å; R92-V95 VanDerWaalsContact CB-CG2 3.48Å; R92-V95 HydrophobicContact CG-CG2 4.48Å; V95-V97 HydrophobicContact CG1-CG2 3.81Å; V95-T125 CarbonylContact C-O 3.59Å; V95-T125 VanDerWaalsContact CA-O 3.3Å; V95-T125 WeakPolarHBondContact CA-O 3.39Å; V95-A127 HydrophobicContact CG1-CB 4.36Å; V95-H158 WeakPolarHBondContact O-CA 3.26Å; V95-H158 PolarHBondContact O-CD2 3.29Å; V95-Y159 PolarHBondContact N-O 2.92Å; V95-Y159 PolarHBondContact O-N 3.34Å
96	L	97.5	Very high	91.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.7	169.9	-177.9	67.4	0	0	0	109.3	L113 T125 I126 A127 L156 H158 F180 L181	L96-L113 HydrophobicContact CD2-CD2 4.42Å; L96-T125 PolarHBondContact N-O 3.03Å; L96-I126 CarbonylContact O-C 3.52Å; L96-I126 WeakPolarHBondContact O-CA 3.37Å; L96-A127 PolarHBondContact O-N 3.25Å; L96-L156 HydrophobicContact CD1-CB 4.33Å; L96-L156 HydrophobicContact CD1-CD2 4.2Å; L96-L156 HydrophobicContact CD2-CD2 4.18Å; L96-L156 HydrophobicContact CG-CD2 3.97Å; L96-H158 HydrophobicContact CD1-CB 4.16Å; L96-F180 HydrophobicContact CD1-CE1 4.41Å; L96-L181 HydrophobicContact CB-CD2 3.88Å; L96-L181 HydrophobicContact CD2-CD1 4.22Å; L96-L181 HydrophobicContact CD2-CG 4.5Å
97	V	96.8	Very high	90.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.9	-175.8	-170.4	0	0	0	0	109.7	L85 V95 Y99 A127 V129 L156 L157 Y159	L85-V97 HydrophobicContact CD1-CG2 4.35Å; V95-V97 HydrophobicContact CG1-CG2 3.81Å; V97-Y99 HydrophobicContact CB-CD2 4.27Å; V97-Y99 HydrophobicContact CB-CE2 3.66Å; V97-Y99 HydrophobicContact CG1-CD2 3.93Å; V97-Y99 HydrophobicContact CG1-CE1 4.18Å; V97-Y99 HydrophobicContact CG1-CE2 3.44Å; V97-Y99 VanDerWaalsContact CG1-CE2 3.44Å; V97-Y99 HydrophobicContact CG1-CG 4.49Å; V97-A127 CarbonylContact C-O 3.58Å; V97-A127 WeakPolarHBondContact CA-O 2.96Å; V97-A127 HydrophobicContact CG1-CB 4.44Å; V97-A127 HydrophobicContact CG2-CB 4.29Å; V97-V129 HydrophobicContact CG1-CG2 3.85Å; V97-L156 WeakPolarHBondContact O-CA 3.46Å; V97-L157 PolarHBondContact N-O 3.3Å; V97-L157 PolarHBondContact O-N 3.34Å; V97-Y159 HydrophobicContact CB-CD2 4.43Å; V97-Y159 HydrophobicContact CB-CE2 4.04Å; V97-Y159 HydrophobicContact CG2-CD2 3.65Å; V97-Y159 HydrophobicContact CG2-CE2 3.63Å
98	L	95.8	Very high	89.7	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117	168.4	179.2	68.9	0	0	0	109.3	T100 K109 F110 L113 A127 W128 V129 A154 L156	L98-T100 HydrophobicContact CD1-CG2 4.32Å; L98-T100 HydrophobicContact CD2-CG2 3.87Å; L98-T100 HydrophobicContact CG-CG2 3.8Å; L98-K109 HydrophobicContact CD1-CD 3.99Å; L98-K109 HydrophobicContact CD2-CB 4.38Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; L98-F110 HydrophobicContact CD2-CE1 3.76Å; L98-F110 HydrophobicContact CD2-CZ 4.25Å; L98-L113 HydrophobicContact CB-CD1 4.03Å; L98-L113 HydrophobicContact CD2-CD1 3.67Å; L98-L113 HydrophobicContact CG-CD1 4.28Å; L98-A127 PolarHBondContact N-O 2.97Å; L98-W128 CarbonylContact O-C 3.45Å; L98-W128 WeakPolarHBondContact O-CA 3.34Å; L98-W128 VanDerWaalsContact O-CD1 3.25Å; L98-V129 PolarHBondContact O-N 3.04Å; L98-A154 HydrophobicContact CD1-CB 4.23Å; L98-L156 HydrophobicContact CB-CD2 3.79Å; L98-L156 HydrophobicContact CD1-CD2 3.8Å; L98-L156 HydrophobicContact CD1-CG 3.81Å; L98-L156 HydrophobicContact CG-CD2 4.4Å
99	Y	94.9	Very high	89.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.8	169.9	-65.1	-92.1	0	0	0	109.6	V97 V129 V143 V145 A154 E155 L157 Y159	V97-Y99 HydrophobicContact CB-CD2 4.27Å; V97-Y99 HydrophobicContact CB-CE2 3.66Å; V97-Y99 HydrophobicContact CG1-CD2 3.93Å; V97-Y99 HydrophobicContact CG1-CE1 4.18Å; V97-Y99 HydrophobicContact CG1-CE2 3.44Å; V97-Y99 VanDerWaalsContact CG1-CE2 3.44Å; V97-Y99 HydrophobicContact CG1-CG 4.49Å; Y99-V129 WeakPolarHBondContact CA-O 3.33Å; Y99-V129 HydrophobicContact CD1-CB 3.55Å; Y99-V129 HydrophobicContact CD1-CG1 3.68Å; Y99-V129 HydrophobicContact CD1-CG2 4.08Å; Y99-V129 HydrophobicContact CE1-CB 3.77Å; Y99-V129 HydrophobicContact CE1-CG1 3.9Å; Y99-V129 HydrophobicContact CE1-CG2 3.78Å; Y99-V129 HydrophobicContact CG-CB 4.35Å; Y99-V143 HydrophobicContact CE1-CG2 4.02Å; Y99-V145 HydrophobicContact CD1-CB 4.41Å; Y99-V145 HydrophobicContact CD1-CG1 4.04Å; Y99-V145 HydrophobicContact CD2-CG1 4.06Å; Y99-V145 HydrophobicContact CE2-CG2 4.42Å; Y99-V145 HydrophobicContact CG-CG1 3.71Å; Y99-A154 CarbonylContact O-C 3.55Å; Y99-A154 WeakPolarHBondContact O-CA 3.14Å; Y99-E155 PolarHBondContact N-O 3.02Å; Y99-E155 PolarHBondContact O-N 3.23Å; Y99-L157 HydrophobicContact CD2-CB 4.41Å; Y99-L157 HydrophobicContact CD2-CD1 3.99Å; Y99-L157 HydrophobicContact CD2-CG 4.03Å; Y99-L157 HydrophobicContact CE2-CB 4.03Å; Y99-L157 HydrophobicContact CE2-CD1 3.69Å; Y99-L157 HydrophobicContact CE2-CG 3.97Å; Y99-Y159 HydrophobicContact CE2-CE2 4.31Å; Y99-Y159 PolarHBondContact OH-OH 3.18Å
100	T	94.4	Very high	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.6	-179.9	65.4	0	0	0	0	111.7	L98 S102 W128 V129 C131 G153 A154	L98-T100 HydrophobicContact CD1-CG2 4.32Å; L98-T100 HydrophobicContact CD2-CG2 3.87Å; L98-T100 HydrophobicContact CG-CG2 3.8Å; T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 VanDerWaalsContact CB-O 3.27Å; T100-S102 WeakPolarHBondContact CB-O 3.27Å; T100-S102 PolarHBondContact O-N 3.22Å; T100-S102 PolarHBondContact OG1-O 3.47Å; T100-W128 PolarHBondContact OG1-NE1 3.45Å; T100-V129 PolarHBondContact N-O 2.78Å; T100-C131 WeakPolarHBondContact O-CA 3.48Å; T100-C131 WeakPolarHBondContact O-CB 3.25Å; T100-C131 PolarHBondContact O-N 2.82Å; T100-G153 CarbonylContact C-O 3.58Å; T100-A154 HydrophobicContact CG2-CB 4.06Å
101	K	92.2	Very high	88.7	Confident	107 Å²	107	46.3 Å²	46.3	47%	0.465	25%	0.252	S	S	.	.	S	Bend	trans	-69.4	-25.5	175.8	75.1	174	-174.9	-175.8	0	112.9	S105 G132 P147 G153	K101-S105 WeakPolarHBondContact CE-OG 3.41Å; K101-S105 WeakPolarHBondContact CG-OG 3.41Å; K101-G132 WeakPolarHBondContact O-CA 3.3Å; K101-G132 PolarHBondContact O-N 2.87Å; K101-P147 HydrophobicContact CB-CB 4.41Å; K101-G153 PolarHBondContact N-O 3.02Å
102	S	87.4	Confident	88.6	Confident	32 Å²	32	43.9 Å²	43.9	22%	0.224	24%	0.236	C	C	.	.	S	Bend	trans	-149.9	167.1	178	70.6	0	0	0	0	109.7	T100 T104 S105 N130	T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 VanDerWaalsContact CB-O 3.27Å; T100-S102 WeakPolarHBondContact CB-O 3.27Å; T100-S102 PolarHBondContact O-N 3.22Å; T100-S102 PolarHBondContact OG1-O 3.47Å; S102-T104 PolarHBondContact O-N 2.73Å; S102-T104 PolarHBondContact OG-N 3.35Å; S102-T104 PolarHBondContact OG-OG1 3.49Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact OG-N 3.26Å; S102-S105 PolarHBondContact OG-OG 3.06Å; S102-N130 VanDerWaalsContact C-OD1 3.25Å; S102-N130 VanDerWaalsContact CA-OD1 3.31Å; S102-N130 WeakPolarHBondContact CA-OD1 3.29Å
103	A	80.6	Confident	88.6	Confident	31 Å²	31	38.4 Å²	38.4	26%	0.256	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-56.3	-37.1	174.4	0	0	0	0	0	112.9	V70 W128 N130	V70-A103 HydrophobicContact CG2-CB 3.95Å; A103-W128 HydrophobicContact CB-CH2 4.46Å; A103-W128 HydrophobicContact CB-CZ2 4.46Å; A103-N130 PolarHBondContact N-OD1 3.24Å
104	T	79.4	Confident	88.6	Confident	87 Å²	87	36 Å²	36	53%	0.534	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-83.4	-19	-176.4	52.5	0	0	0	0	114.4	V70 S102 G106 D107	V70-T104 HydrophobicContact CG2-CG2 4.29Å; S102-T104 PolarHBondContact O-N 2.73Å; S102-T104 PolarHBondContact OG-N 3.35Å; S102-T104 PolarHBondContact OG-OG1 3.49Å; T104-G106 PolarHBondContact O-N 3.49Å; T104-D107 WeakPolarHBondContact CA-OD2 3.31Å; T104-D107 WeakPolarHBondContact O-CB 3.17Å; T104-D107 VanDerWaalsContact O-CG 3.28Å; T104-D107 PolarHBondContact O-N 3.49Å
105	S	77.6	Confident	88.5	Confident	21 Å²	21	38.9 Å²	38.9	15%	0.147	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-72.4	-9.8	-176.9	-58.8	0	0	0	0	113.3	K101 S102	K101-S105 WeakPolarHBondContact CE-OG 3.41Å; K101-S105 WeakPolarHBondContact CG-OG 3.41Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact OG-N 3.26Å; S102-S105 PolarHBondContact OG-OG 3.06Å
106	G	69.9	Low	88.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-101.3	-3.6	175	0	0	0	0	0	114.9	T104 S108 K109 F110	T104-G106 PolarHBondContact O-N 3.49Å; G106-S108 VanDerWaalsContact C-N 3.31Å; G106-S108 PolarHBondContact O-N 2.98Å; G106-K109 WeakPolarHBondContact O-CA 3.34Å; G106-K109 WeakPolarHBondContact O-CB 3.32Å; G106-K109 PolarHBondContact O-N 3.08Å; G106-F110 VanDerWaalsContact C-CD2 3.5Å; G106-F110 VanDerWaalsContact C-CE2 3.46Å; G106-F110 VanDerWaalsContact O-CD2 3.28Å; G106-F110 WeakPolarHBondContact O-CD2 3.38Å; G106-F110 PolarHBondContact O-N 3.26Å; G106-F110 VanDerWaalsContact O-N 3.1Å
107	D	77.2	Confident	88.3	Confident	77 Å²	77	39.3 Å²	39.3	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-55.8	-42.2	-165.8	-74.2	-9.2	0	0	0	113.6	V70 T104 K109	V70-D107 VanDerWaalsContact CG1-OD1 3.28Å; V70-D107 WeakPolarHBondContact CG1-OD1 3.3Å; T104-D107 WeakPolarHBondContact CA-OD2 3.31Å; T104-D107 WeakPolarHBondContact O-CB 3.17Å; T104-D107 VanDerWaalsContact O-CG 3.28Å; T104-D107 PolarHBondContact O-N 3.49Å; D107-K109 PolarHBondContact O-N 3.49Å
108	S	79.1	Confident	88.2	Confident	107 Å²	107	44.3 Å²	44.3	75%	0.748	24%	0.241	S	C	*	.	H	α-helix	trans	-68.3	-20.5	177.9	58.5	0	0	0	0	113.9	G106	G106-S108 VanDerWaalsContact C-N 3.31Å; G106-S108 PolarHBondContact O-N 2.98Å
109	K	84.6	Confident	88.1	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-95.8	-26.1	-178	-61.3	-175.2	177.4	109.3	0	112.8	L98 G106 D107 K111 L112 L113	L98-K109 HydrophobicContact CD1-CD 3.99Å; L98-K109 HydrophobicContact CD2-CB 4.38Å; G106-K109 WeakPolarHBondContact O-CA 3.34Å; G106-K109 WeakPolarHBondContact O-CB 3.32Å; G106-K109 PolarHBondContact O-N 3.08Å; D107-K109 PolarHBondContact O-N 3.49Å; K109-K111 PolarHBondContact O-N 2.84Å; K109-L112 PolarHBondContact O-N 2.87Å; K109-L113 HydrophobicContact CB-CD1 4.26Å; K109-L113 WeakPolarHBondContact O-CB 3.03Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 2.92Å
110	F	88.8	Confident	88.1	Confident	14 Å²	14	47.3 Å²	47.3	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-38.8	-174.5	-71.6	-53.8	0	0	0	113.9	V70 V72 I76 L98 G106 L113 S114 W128	V70-F110 HydrophobicContact CG1-CD2 4.08Å; V70-F110 HydrophobicContact CG1-CE2 3.9Å; V72-F110 HydrophobicContact CG1-CD1 4.25Å; V72-F110 HydrophobicContact CG1-CE1 4.36Å; V72-F110 HydrophobicContact CG2-CD1 4.28Å; V72-F110 HydrophobicContact CG2-CD2 4.39Å; V72-F110 HydrophobicContact CG2-CE1 4.05Å; V72-F110 HydrophobicContact CG2-CE2 4.21Å; V72-F110 HydrophobicContact CG2-CG 4.47Å; V72-F110 HydrophobicContact CG2-CZ 4.04Å; I76-F110 HydrophobicContact CD1-CD1 4Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; L98-F110 HydrophobicContact CD2-CE1 3.76Å; L98-F110 HydrophobicContact CD2-CZ 4.25Å; G106-F110 VanDerWaalsContact C-CD2 3.5Å; G106-F110 VanDerWaalsContact C-CE2 3.46Å; G106-F110 VanDerWaalsContact O-CD2 3.28Å; G106-F110 WeakPolarHBondContact O-CD2 3.38Å; G106-F110 PolarHBondContact O-N 3.26Å; G106-F110 VanDerWaalsContact O-N 3.1Å; F110-L113 PolarHBondContact O-N 3.44Å; F110-S114 VanDerWaalsContact O-CB 3.31Å; F110-S114 WeakPolarHBondContact O-CB 3.33Å; F110-S114 PolarHBondContact O-N 2.89Å; F110-W128 HydrophobicContact CE1-CB 4.13Å; F110-W128 AromaticContact CE1-CD1 3.72Å; F110-W128 AromaticContact CE1-CD2 3.79Å; F110-W128 HydrophobicContact CE1-CD2 3.79Å; F110-W128 HydrophobicContact CE1-CE3 4.42Å; F110-W128 AromaticContact CE1-CG 3.6Å; F110-W128 HydrophobicContact CE1-CG 3.6Å; F110-W128 AromaticContact CZ-CD1 3.81Å; F110-W128 AromaticContact CZ-CD2 3.77Å; F110-W128 HydrophobicContact CZ-CD2 3.77Å; F110-W128 AromaticContact CZ-CE2 3.56Å; F110-W128 HydrophobicContact CZ-CE3 4.42Å; F110-W128 AromaticContact CZ-CG 3.94Å; F110-W128 HydrophobicContact CZ-CG 3.94Å; F110-W128 HydrophobicContact CZ-CZ2 4.03Å; F110-W128 AromaticContact CZ-NE1 3.61Å
111	K	90.4	Very high	88	Confident	160 Å²	160	54.6 Å²	54.6	70%	0.696	29%	0.291	S	S	*	.	H	α-helix	trans	-61.9	-52.2	177.3	-176.2	176.8	178.8	-179.1	0	111	K109 L113 S114 D115	K109-K111 PolarHBondContact O-N 2.84Å; K111-L113 PolarHBondContact O-N 3.19Å; K111-S114 WeakPolarHBondContact O-CB 3.15Å; K111-S114 PolarHBondContact O-N 2.93Å; K111-D115 PolarHBondContact O-N 2.75Å
112	L	92.3	Very high	87.9	Confident	36 Å²	36	53.3 Å²	53.3	19%	0.188	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-50.1	176.5	172.1	62.7	0	0	0	111.5	K109 S114 D115 V116 A172 Y174 M177	K109-L112 PolarHBondContact O-N 2.87Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.49Å; L112-D115 PolarHBondContact O-N 2.96Å; L112-V116 HydrophobicContact CD1-CG2 4.18Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.25Å; L112-V116 PolarHBondContact O-N 2.71Å; L112-A172 WeakPolarHBondContact CD2-O 3.27Å; L112-Y174 HydrophobicContact CD1-CD2 4.5Å; L112-M177 HydrophobicContact CD2-CE 4.22Å; L112-M177 HydrophobicContact CD2-SD 3.76Å; L112-M177 HydrophobicContact CG-SD 3.99Å
113	L	94.4	Very high	88.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-34	-179.8	-71.1	175.2	0	0	0	112.4	I76 L96 L98 K109 F110 K111 V116 A117 I126 L156 M177	I76-L113 HydrophobicContact CD1-CB 3.9Å; L96-L113 HydrophobicContact CD2-CD2 4.42Å; L98-L113 HydrophobicContact CB-CD1 4.03Å; L98-L113 HydrophobicContact CD2-CD1 3.67Å; L98-L113 HydrophobicContact CG-CD1 4.28Å; K109-L113 HydrophobicContact CB-CD1 4.26Å; K109-L113 WeakPolarHBondContact O-CB 3.03Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 2.92Å; F110-L113 PolarHBondContact O-N 3.44Å; K111-L113 PolarHBondContact O-N 3.19Å; L113-V116 PolarHBondContact O-N 3.39Å; L113-A117 WeakPolarHBondContact O-CB 3.39Å; L113-A117 PolarHBondContact O-N 2.9Å; L113-I126 HydrophobicContact CB-CD1 4.48Å; L113-I126 HydrophobicContact CB-CG2 4.22Å; L113-I126 HydrophobicContact CD1-CG2 4.43Å; L113-I126 HydrophobicContact CD2-CD1 4.11Å; L113-I126 HydrophobicContact CD2-CG2 4.2Å; L113-I126 WeakPolarHBondContact O-CD1 3.48Å; L113-L156 HydrophobicContact CD1-CD2 4.45Å; L113-L156 HydrophobicContact CD2-CD2 4.41Å; L113-M177 HydrophobicContact CD2-CE 4.07Å; L113-M177 HydrophobicContact CD2-SD 3.75Å
114	S	93.8	Very high	88.7	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-44.7	173.7	-176.9	0	0	0	0	111.4	S73 F110 K111 L112 V116 A117 Q118	S73-S114 WeakPolarHBondContact CB-OG 3.42Å; S73-S114 PolarHBondContact OG-OG 3.33Å; F110-S114 VanDerWaalsContact O-CB 3.31Å; F110-S114 WeakPolarHBondContact O-CB 3.33Å; F110-S114 PolarHBondContact O-N 2.89Å; K111-S114 WeakPolarHBondContact O-CB 3.15Å; K111-S114 PolarHBondContact O-N 2.93Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.49Å; S114-V116 VanDerWaalsContact C-N 3.34Å; S114-A117 PolarHBondContact O-N 2.95Å; S114-Q118 PolarHBondContact O-N 2.88Å
115	D	93.9	Very high	89.5	Confident	78 Å²	78	52.5 Å²	52.5	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-41.8	178.4	-63.1	-24.3	0	0	0	110.8	K111 L112 Q118 V119 Y174	K111-D115 PolarHBondContact O-N 2.75Å; L112-D115 PolarHBondContact O-N 2.96Å; D115-Q118 PolarHBondContact O-N 2.99Å; D115-V119 PolarHBondContact O-N 3.2Å; D115-Y174 HydrophobicContact CB-CD2 4.07Å; D115-Y174 HydrophobicContact CB-CE2 4.03Å
116	V	95.9	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-47.1	175	177	0	0	0	0	110.8	L112 L113 S114 Q118 V119 V120 I126 Y174 M177 V178 L181	L112-V116 HydrophobicContact CD1-CG2 4.18Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.25Å; L112-V116 PolarHBondContact O-N 2.71Å; L113-V116 PolarHBondContact O-N 3.39Å; S114-V116 VanDerWaalsContact C-N 3.34Å; V116-Q118 PolarHBondContact O-N 3.48Å; V116-V119 PolarHBondContact O-N 2.78Å; V116-V119 VanDerWaalsContact O-N 3.08Å; V116-V120 HydrophobicContact CG1-CG1 4.2Å; V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CG2 3.13Å; V116-V120 PolarHBondContact O-N 3.28Å; V116-I126 HydrophobicContact CB-CD1 3.97Å; V116-I126 HydrophobicContact CG1-CD1 3.76Å; V116-Y174 HydrophobicContact CG2-CD2 3.76Å; V116-Y174 HydrophobicContact CG2-CE2 4.3Å; V116-M177 HydrophobicContact CG1-CB 4Å; V116-M177 HydrophobicContact CG2-CB 3.81Å; V116-M177 HydrophobicContact CG2-SD 4.31Å; V116-V178 HydrophobicContact CB-CG2 4.43Å; V116-V178 HydrophobicContact CG1-CG2 3.99Å; V116-V178 HydrophobicContact CG2-CG2 4.24Å; V116-L181 HydrophobicContact CG1-CD1 3.7Å
117	A	95.3	Very high	91.7	Very high	9 Å²	9	51.6 Å²	51.6	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-36.7	-180	0	0	0	0	0	112.2	L75 L113 S114 V119 K121 I126	L75-A117 HydrophobicContact CB-CB 3.9Å; L113-A117 WeakPolarHBondContact O-CB 3.39Å; L113-A117 PolarHBondContact O-N 2.9Å; S114-A117 PolarHBondContact O-N 2.95Å; A117-V119 PolarHBondContact O-N 3.3Å; A117-K121 PolarHBondContact O-N 2.91Å; A117-I126 HydrophobicContact CB-CB 4.31Å; A117-I126 HydrophobicContact CB-CD1 4Å; A117-I126 HydrophobicContact CB-CG1 4.27Å
118	Q	94.3	Very high	92.6	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.7	-176.5	59	38	0	0	112.2	L75 S114 D115 V116 K121	L75-Q118 HydrophobicContact CD1-CB 3.9Å; L75-Q118 VanDerWaalsContact CD1-OE1 3.23Å; S114-Q118 PolarHBondContact O-N 2.88Å; D115-Q118 PolarHBondContact O-N 2.99Å; V116-Q118 PolarHBondContact O-N 3.48Å; Q118-K121 WeakPolarHBondContact O-CB 3.25Å
119	V	94.6	Very high	93.4	Very high	63 Å²	63	43.3 Å²	43.3	38%	0.382	23%	0.233	S	C	.	.	H	α-helix	trans	-84.6	-29.9	-175	170.7	0	0	0	0	113.3	D115 V116 A117 K121 Y174 V178	D115-V119 PolarHBondContact O-N 3.2Å; V116-V119 PolarHBondContact O-N 2.78Å; V116-V119 VanDerWaalsContact O-N 3.08Å; A117-V119 PolarHBondContact O-N 3.3Å; V119-K121 VanDerWaalsContact C-N 3.26Å; V119-K121 PolarHBondContact O-N 3.06Å; V119-Y174 WeakPolarHBondContact CG2-OH 3.25Å; V119-V178 HydrophobicContact CG1-CG1 4.25Å; V119-V178 HydrophobicContact CG1-CG2 4.45Å
120	V	94.6	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-88.9	8.4	176.5	-56.9	0	0	0	0	112.7	V116 G122 Q123 G124 V178 L181	V116-V120 HydrophobicContact CG1-CG1 4.2Å; V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CG2 3.13Å; V116-V120 PolarHBondContact O-N 3.28Å; V120-G122 PolarHBondContact O-N 3.18Å; V120-G122 VanDerWaalsContact O-N 3.17Å; V120-Q123 CarbonylContact O-C 3.6Å; V120-Q123 WeakPolarHBondContact O-CA 3.44Å; V120-Q123 PolarHBondContact O-N 2.82Å; V120-G124 PolarHBondContact O-N 3.25Å; V120-V178 HydrophobicContact CG1-CG1 4.37Å; V120-V178 HydrophobicContact CG1-CG2 4.39Å; V120-L181 HydrophobicContact CB-CB 4.31Å; V120-L181 HydrophobicContact CG1-CB 3.82Å; V120-L181 HydrophobicContact CG1-CD1 4.27Å; V120-L181 HydrophobicContact CG2-CD1 3.86Å
121	K	91.9	Very high	94	Very high	154 Å²	154	42.2 Å²	42.2	67%	0.67	23%	0.23	S	C	*	.	B	Isolated β-bridge	trans	-54.3	122.5	-179.3	-172.4	177.4	-179.2	179.7	0	110.6	A117 Q118 V119 Q123	A117-K121 PolarHBondContact O-N 2.91Å; Q118-K121 WeakPolarHBondContact O-CB 3.25Å; V119-K121 VanDerWaalsContact C-N 3.26Å; V119-K121 PolarHBondContact O-N 3.06Å; K121-Q123 VanDerWaalsContact C-N 3.31Å
122	G	89.6	Confident	93.9	Very high	79 Å²	79	35.9 Å²	35.9	81%	0.814	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	-12.3	-176.4	0	0	0	0	0	114.9	V120	V120-G122 PolarHBondContact O-N 3.18Å; V120-G122 VanDerWaalsContact O-N 3.17Å
123	Q	91.2	Very high	93.8	Very high	107 Å²	107	36.9 Å²	36.9	50%	0.5	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-34.4	175.5	-63.1	177.8	40.8	0	0	112	N94 V120 K121	N94-Q123 PolarHBondContact ND2-O 2.87Å; V120-Q123 CarbonylContact O-C 3.6Å; V120-Q123 WeakPolarHBondContact O-CA 3.44Å; V120-Q123 PolarHBondContact O-N 2.82Å; K121-Q123 VanDerWaalsContact C-N 3.31Å
124	G	94.4	Very high	93.5	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-145.7	160.9	176.6	0	0	0	0	0	111.9	N94 V120	N94-G124 CarbonylContact O-C 3.57Å; N94-G124 WeakPolarHBondContact O-CA 3.44Å; V120-G124 PolarHBondContact O-N 3.25Å
125	T	96.6	Very high	93.3	Very high	18 Å²	18	43.6 Å²	43.6	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.8	175.6	-52.6	0	0	0	0	109.2	E77 L88 R92 N94 V95 L96	E77-T125 HydrophobicContact CG-CG2 4.24Å; L88-T125 HydrophobicContact CD1-CG2 4.13Å; R92-T125 HydrophobicContact CG-CG2 4.5Å; N94-T125 PolarHBondContact O-N 3.17Å; V95-T125 CarbonylContact C-O 3.59Å; V95-T125 VanDerWaalsContact CA-O 3.3Å; V95-T125 WeakPolarHBondContact CA-O 3.39Å; L96-T125 PolarHBondContact N-O 3.03Å
126	I	97	Very high	93.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130	173.4	-57.9	-174.8	0	0	0	108.3	I76 E77 L96 L113 V116 A117 L181	I76-I126 WeakPolarHBondContact CA-O 3.17Å; I76-I126 HydrophobicContact CG1-CG2 4.46Å; I76-I126 HydrophobicContact CG2-CG2 4.39Å; E77-I126 PolarHBondContact N-O 2.85Å; L96-I126 CarbonylContact O-C 3.52Å; L96-I126 WeakPolarHBondContact O-CA 3.37Å; L113-I126 HydrophobicContact CB-CD1 4.48Å; L113-I126 HydrophobicContact CB-CG2 4.22Å; L113-I126 HydrophobicContact CD1-CG2 4.43Å; L113-I126 HydrophobicContact CD2-CD1 4.11Å; L113-I126 HydrophobicContact CD2-CG2 4.2Å; L113-I126 WeakPolarHBondContact O-CD1 3.48Å; V116-I126 HydrophobicContact CB-CD1 3.97Å; V116-I126 HydrophobicContact CG1-CD1 3.76Å; A117-I126 HydrophobicContact CB-CB 4.31Å; A117-I126 HydrophobicContact CB-CD1 4Å; A117-I126 HydrophobicContact CB-CG1 4.27Å; I126-L181 HydrophobicContact CD1-CD1 3.82Å; I126-L181 HydrophobicContact CG1-CD1 3.94Å
127	A	96.5	Very high	92.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.6	179	0	0	0	0	0	111.3	E77 V79 L88 V95 L96 V97 L98	E77-A127 HydrophobicContact CB-CB 4.25Å; E77-A127 CarbonylContact O-C 3.49Å; E77-A127 WeakPolarHBondContact O-CA 3.42Å; E77-A127 WeakPolarHBondContact O-CB 3.31Å; V79-A127 HydrophobicContact CG2-CB 4.22Å; L88-A127 HydrophobicContact CD2-CB 3.58Å; V95-A127 HydrophobicContact CG1-CB 4.36Å; L96-A127 PolarHBondContact O-N 3.25Å; V97-A127 CarbonylContact C-O 3.58Å; V97-A127 WeakPolarHBondContact CA-O 2.96Å; V97-A127 HydrophobicContact CG1-CB 4.44Å; V97-A127 HydrophobicContact CG2-CB 4.29Å; L98-A127 PolarHBondContact N-O 2.97Å
128	W	95.8	Very high	92.8	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.038	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.4	179	167.8	59.3	0	0	0	111.9	V72 I76 E77 K78 V79 L98 T100 A103 F110 N130	V72-W128 HydrophobicContact CB-CE3 4.4Å; V72-W128 HydrophobicContact CB-CZ3 4.45Å; V72-W128 HydrophobicContact CG1-CE3 4.25Å; V72-W128 HydrophobicContact CG2-CD2 4.47Å; V72-W128 HydrophobicContact CG2-CE3 3.75Å; V72-W128 HydrophobicContact CG2-CH2 4.22Å; V72-W128 HydrophobicContact CG2-CZ3 3.59Å; I76-W128 HydrophobicContact CG2-CB 3.7Å; E77-W128 PolarHBondContact O-N 3Å; K78-W128 HydrophobicContact CB-CE3 4.38Å; K78-W128 HydrophobicContact CD-CE3 4.34Å; K78-W128 HydrophobicContact CD-CZ3 3.94Å; K78-W128 HydrophobicContact CG-CE3 3.92Å; K78-W128 HydrophobicContact CG-CZ3 4.02Å; V79-W128 PolarHBondContact N-O 2.79Å; L98-W128 CarbonylContact O-C 3.45Å; L98-W128 WeakPolarHBondContact O-CA 3.34Å; L98-W128 VanDerWaalsContact O-CD1 3.25Å; T100-W128 PolarHBondContact OG1-NE1 3.45Å; A103-W128 HydrophobicContact CB-CH2 4.46Å; A103-W128 HydrophobicContact CB-CZ2 4.46Å; F110-W128 HydrophobicContact CE1-CB 4.13Å; F110-W128 AromaticContact CE1-CD1 3.72Å; F110-W128 AromaticContact CE1-CD2 3.79Å; F110-W128 HydrophobicContact CE1-CD2 3.79Å; F110-W128 HydrophobicContact CE1-CE3 4.42Å; F110-W128 AromaticContact CE1-CG 3.6Å; F110-W128 HydrophobicContact CE1-CG 3.6Å; F110-W128 AromaticContact CZ-CD1 3.81Å; F110-W128 AromaticContact CZ-CD2 3.77Å; F110-W128 HydrophobicContact CZ-CD2 3.77Å; F110-W128 AromaticContact CZ-CE2 3.56Å; F110-W128 HydrophobicContact CZ-CE3 4.42Å; F110-W128 AromaticContact CZ-CG 3.94Å; F110-W128 HydrophobicContact CZ-CG 3.94Å; F110-W128 HydrophobicContact CZ-CZ2 4.03Å; F110-W128 AromaticContact CZ-NE1 3.61Å; W128-N130 HydrophobicContact CH2-CB 4.22Å; W128-N130 HydrophobicContact CZ2-CB 3.66Å
129	V	94.9	Very high	92.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.8	176.6	175	0	0	0	0	109.6	V79 V97 L98 Y99 T100 L139	V79-V129 HydrophobicContact CB-CG2 3.9Å; V79-V129 HydrophobicContact CG1-CG2 4.23Å; V97-V129 HydrophobicContact CG1-CG2 3.85Å; L98-V129 PolarHBondContact O-N 3.04Å; Y99-V129 WeakPolarHBondContact CA-O 3.33Å; Y99-V129 HydrophobicContact CD1-CB 3.55Å; Y99-V129 HydrophobicContact CD1-CG1 3.68Å; Y99-V129 HydrophobicContact CD1-CG2 4.08Å; Y99-V129 HydrophobicContact CE1-CB 3.77Å; Y99-V129 HydrophobicContact CE1-CG1 3.9Å; Y99-V129 HydrophobicContact CE1-CG2 3.78Å; Y99-V129 HydrophobicContact CG-CB 4.35Å; T100-V129 PolarHBondContact N-O 2.78Å; V129-L139 HydrophobicContact CB-CD2 4.39Å; V129-L139 HydrophobicContact CG1-CD2 3.54Å; V129-L139 HydrophobicContact CG1-CG 4.25Å; V129-L139 HydrophobicContact CG2-CD2 3.86Å
130	N	93.8	Very high	92.7	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	100.6	172.4	177.9	26.7	0	0	0	110.8	S102 A103 W128 G132 D133 G136	S102-N130 VanDerWaalsContact C-OD1 3.25Å; S102-N130 VanDerWaalsContact CA-OD1 3.31Å; S102-N130 WeakPolarHBondContact CA-OD1 3.29Å; A103-N130 PolarHBondContact N-OD1 3.24Å; W128-N130 HydrophobicContact CH2-CB 4.22Å; W128-N130 HydrophobicContact CZ2-CB 3.66Å; N130-G132 PolarHBondContact O-N 3.17Å; N130-G132 PolarHBondContact OD1-N 2.75Å; N130-D133 PolarHBondContact ND2-OD2 3.31Å; N130-G136 WeakPolarHBondContact O-CA 3.41Å
131	C	93.3	Very high	92.6	Very high	14 Å²	14	51.2 Å²	51.2	10%	0.095	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.7	178.3	-57	0	0	0	0	114	T100 C140 P147	T100-C131 WeakPolarHBondContact O-CA 3.48Å; T100-C131 WeakPolarHBondContact O-CB 3.25Å; T100-C131 PolarHBondContact O-N 2.82Å; C131-C140 VanDerWaalsContact CA-SG 3.57Å; C131-C140 HydrophobicContact CB-CB 3.81Å; C131-C140 WeakPolarHBondContact CB-SG 3.42Å; C131-C140 WeakPolarHBondContact SG-CB 3.49Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 3.49Å; C131-P147 HydrophobicContact CB-CG 4.06Å; C131-P147 WeakPolarHBondContact SG-CG 3.32Å
132	G	88.8	Confident	92.6	Very high	28 Å²	28	50.5 Å²	50.5	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-32	-178.2	0	0	0	0	0	114.4	K101 N130 R137	K101-G132 WeakPolarHBondContact O-CA 3.3Å; K101-G132 PolarHBondContact O-N 2.87Å; N130-G132 PolarHBondContact O-N 3.17Å; N130-G132 PolarHBondContact OD1-N 2.75Å; G132-R137 PolarHBondContact O-NH2 3.36Å
133	D	89.1	Confident	92.7	Very high	56 Å²	56	48.5 Å²	48.5	30%	0.299	24%	0.241	S	C	.	.	S	Bend	trans	-82.5	169.2	-179.3	64.6	44.3	0	0	0	112.8	N130 E135 G136 R137	N130-D133 PolarHBondContact ND2-OD2 3.31Å; D133-E135 PolarHBondContact O-N 2.97Å; D133-G136 WeakPolarHBondContact OD1-CA 3.45Å; D133-G136 PolarHBondContact OD1-N 2.63Å; D133-R137 WeakPolarHBondContact O-CB 3.37Å; D133-R137 PolarHBondContact O-N 2.87Å
134	S	88.6	Confident	92.8	Very high	78 Å²	78	52.8 Å²	52.8	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-40.8	-170.6	55.2	0	0	0	0	113.4	K138	S134-K138 WeakPolarHBondContact O-CG 3.36Å
135	E	88.9	Confident	92.7	Very high	83 Å²	83	53.1 Å²	53.1	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-81.1	-42.2	-178.3	-65.4	-50.3	119.7	0	0	111.7	S80 D133 R137 K138 L139	S80-E135 CarbonylContact O-C 3.01Å; S80-E135 WeakPolarHBondContact O-CB 3.48Å; D133-E135 PolarHBondContact O-N 2.97Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3Å; E135-K138 WeakPolarHBondContact O-CB 3.32Å; E135-K138 PolarHBondContact O-N 3.05Å; E135-K138 VanDerWaalsContact O-N 3.11Å; E135-K138 IonicContact OE1-NZ 3.6Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; E135-K138 IonicContact OE2-NZ 2.77Å; E135-L139 PolarHBondContact O-N 3.21Å
136	G	89.5	Confident	92.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-37.2	173.6	0	0	0	0	0	112.4	N130 D133 K138 L139 C140	N130-G136 WeakPolarHBondContact O-CA 3.41Å; D133-G136 WeakPolarHBondContact OD1-CA 3.45Å; D133-G136 PolarHBondContact OD1-N 2.63Å; G136-K138 PolarHBondContact O-N 3.49Å; G136-L139 WeakPolarHBondContact O-CB 3.43Å; G136-L139 PolarHBondContact O-N 2.76Å; G136-C140 WeakPolarHBondContact O-CB 3.44Å; G136-C140 PolarHBondContact O-N 2.83Å; G136-C140 PolarHBondContact O-SG 2.88Å
137	R	91.3	Very high	92.1	Very high	136 Å²	136	56.3 Å²	56.3	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-39.4	173.6	-166.4	-177.6	-53.8	150.8	7.9	112.6	G132 D133 E135 K141	G132-R137 PolarHBondContact O-NH2 3.36Å; D133-R137 WeakPolarHBondContact O-CB 3.37Å; D133-R137 PolarHBondContact O-N 2.87Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3Å; R137-K141 WeakPolarHBondContact O-CB 3.41Å; R137-K141 VanDerWaalsContact O-CG 3.3Å; R137-K141 WeakPolarHBondContact O-CG 3.39Å; R137-K141 PolarHBondContact O-N 3.05Å; R137-K141 VanDerWaalsContact O-N 3.09Å
138	K	93.4	Very high	91.7	Very high	114 Å²	114	60.1 Å²	60.1	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-41	174.3	-67	169.4	-173.1	165.6	0	110.8	S134 E135 G136 K142	S134-K138 WeakPolarHBondContact O-CG 3.36Å; E135-K138 WeakPolarHBondContact O-CB 3.32Å; E135-K138 PolarHBondContact O-N 3.05Å; E135-K138 VanDerWaalsContact O-N 3.11Å; E135-K138 IonicContact OE1-NZ 3.6Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; E135-K138 IonicContact OE2-NZ 2.77Å; G136-K138 PolarHBondContact O-N 3.49Å; K138-K142 WeakPolarHBondContact O-CG 3.36Å; K138-K142 PolarHBondContact O-N 2.86Å; K138-K142 VanDerWaalsContact O-N 3.13Å
139	L	93.5	Very high	91.2	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-55.8	175.2	171.2	58.7	0	0	0	111.2	V79 H82 L85 V129 E135 G136 K141 K142 V143	V79-L139 HydrophobicContact CG1-CD2 4.17Å; H82-L139 VanDerWaalsContact CA-CD1 3.5Å; H82-L139 HydrophobicContact CB-CD1 3.73Å; L85-L139 HydrophobicContact CB-CD1 4.22Å; L85-L139 HydrophobicContact CD2-CD1 3.81Å; V129-L139 HydrophobicContact CB-CD2 4.39Å; V129-L139 HydrophobicContact CG1-CD2 3.54Å; V129-L139 HydrophobicContact CG1-CG 4.25Å; V129-L139 HydrophobicContact CG2-CD2 3.86Å; E135-L139 PolarHBondContact O-N 3.21Å; G136-L139 WeakPolarHBondContact O-CB 3.43Å; G136-L139 PolarHBondContact O-N 2.76Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.86Å; L139-K142 WeakPolarHBondContact O-CA 3.45Å; L139-K142 WeakPolarHBondContact O-CB 3.46Å; L139-K142 PolarHBondContact O-N 3.36Å; L139-V143 HydrophobicContact CD1-CG1 4.34Å; L139-V143 WeakPolarHBondContact O-CG2 3.11Å; L139-V143 PolarHBondContact O-N 3.12Å
140	C	93.6	Very high	90.7	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-36.9	-177	-57.2	0	0	0	0	111.9	C131 G136 K142 V143 K144 V145	C131-C140 VanDerWaalsContact CA-SG 3.57Å; C131-C140 HydrophobicContact CB-CB 3.81Å; C131-C140 WeakPolarHBondContact CB-SG 3.42Å; C131-C140 WeakPolarHBondContact SG-CB 3.49Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 3.49Å; G136-C140 WeakPolarHBondContact O-CB 3.44Å; G136-C140 PolarHBondContact O-N 2.83Å; G136-C140 PolarHBondContact O-SG 2.88Å; C140-K142 PolarHBondContact O-N 3.27Å; C140-V143 CarbonylContact O-C 3.29Å; C140-V143 PolarHBondContact O-N 3.16Å; C140-K144 WeakPolarHBondContact O-CA 2.97Å; C140-K144 PolarHBondContact O-N 3.3Å; C140-V145 WeakPolarHBondContact CB-O 3.45Å; C140-V145 PolarHBondContact O-N 3.47Å
141	K	93.1	Very high	89.8	Confident	159 Å²	159	71.9 Å²	71.9	69%	0.691	38%	0.377	S	S	*	.	H	α-helix	trans	-59.9	-43.1	170	-77.7	-178.1	178.6	-170.9	0	113	R137 L139 K144	R137-K141 WeakPolarHBondContact O-CB 3.41Å; R137-K141 VanDerWaalsContact O-CG 3.3Å; R137-K141 WeakPolarHBondContact O-CG 3.39Å; R137-K141 PolarHBondContact O-N 3.05Å; R137-K141 VanDerWaalsContact O-N 3.09Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.86Å; K141-K144 PolarHBondContact O-N 2.9Å
142	K	92.3	Very high	89.1	Confident	140 Å²	140	74 Å²	74	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-66.3	-37.4	178.7	-77.3	178.7	179	178.2	0	112.6	H82 K138 L139 C140 K144	H82-K142 HydrophobicContact CB-CD 4.15Å; K138-K142 WeakPolarHBondContact O-CG 3.36Å; K138-K142 PolarHBondContact O-N 2.86Å; K138-K142 VanDerWaalsContact O-N 3.13Å; L139-K142 WeakPolarHBondContact O-CA 3.45Å; L139-K142 WeakPolarHBondContact O-CB 3.46Å; L139-K142 PolarHBondContact O-N 3.36Å; C140-K142 PolarHBondContact O-N 3.27Å; K142-K144 VanDerWaalsContact C-N 3.3Å
143	V	91.3	Very high	89.1	Confident	37 Å²	37	72.9 Å²	72.9	22%	0.224	39%	0.39	C	S	.	.	H	α-helix	trans	-88	2	177.4	-61.9	0	0	0	0	113.4	L85 Y99 L139 C140 V145	L85-V143 HydrophobicContact CD2-CG1 3.86Å; Y99-V143 HydrophobicContact CE1-CG2 4.02Å; L139-V143 HydrophobicContact CD1-CG1 4.34Å; L139-V143 WeakPolarHBondContact O-CG2 3.11Å; L139-V143 PolarHBondContact O-N 3.12Å; C140-V143 CarbonylContact O-C 3.29Å; C140-V143 PolarHBondContact O-N 3.16Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 HydrophobicContact CB-CG2 4.22Å; V143-V145 HydrophobicContact CG2-CB 4.04Å; V143-V145 HydrophobicContact CG2-CG2 3.57Å; V143-V145 PolarHBondContact O-N 3.41Å
144	K	93.3	Very high	89.1	Confident	197 Å²	197	70.7 Å²	70.7	86%	0.857	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	40.9	-179.6	-55.8	-178.7	178.4	-178.3	0	113.8	C140 K141 K142	C140-K144 WeakPolarHBondContact O-CA 2.97Å; C140-K144 PolarHBondContact O-N 3.3Å; K141-K144 PolarHBondContact O-N 2.9Å; K142-K144 VanDerWaalsContact C-N 3.3Å
145	V	92.6	Very high	89.3	Confident	15 Å²	15	68 Å²	68	9%	0.091	36%	0.358	C	S	.	.			trans	-108.5	130.5	178.7	-178.8	0	0	0	0	109.5	Y99 C140 V143 P147 E155 L157	Y99-V145 HydrophobicContact CD1-CB 4.41Å; Y99-V145 HydrophobicContact CD1-CG1 4.04Å; Y99-V145 HydrophobicContact CD2-CG1 4.06Å; Y99-V145 HydrophobicContact CE2-CG2 4.42Å; Y99-V145 HydrophobicContact CG-CG1 3.71Å; C140-V145 WeakPolarHBondContact CB-O 3.45Å; C140-V145 PolarHBondContact O-N 3.47Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 HydrophobicContact CB-CG2 4.22Å; V143-V145 HydrophobicContact CG2-CB 4.04Å; V143-V145 HydrophobicContact CG2-CG2 3.57Å; V143-V145 PolarHBondContact O-N 3.41Å; V145-P147 HydrophobicContact CG1-CG 4.3Å; V145-E155 WeakPolarHBondContact CG1-OE2 3.45Å; V145-L157 HydrophobicContact CG1-CD1 4.32Å; V145-L157 HydrophobicContact CG2-CD1 3.42Å; V145-L157 VanDerWaalsContact CG2-CD1 3.42Å
146	D	91.1	Very high	89.5	Confident	85 Å²	85	64.8 Å²	64.8	46%	0.455	34%	0.344	S	S	.	.			trans	-130.6	90.4	174.2	-177.7	12.6	0	0	0	110.9	S148 S149	D146-S148 PolarHBondContact O-N 3.3Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 3.33Å; D146-S148 PolarHBondContact OD1-N 3.46Å; D146-S148 PolarHBondContact OD1-OG 2.92Å; D146-S149 PolarHBondContact O-N 3.46Å; D146-S149 VanDerWaalsContact O-N 3.17Å; D146-S149 PolarHBondContact O-OG 2.94Å
147	P	89.6	Confident	89.8	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.013	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63.1	-20.2	179.8	-17.8	30.5	0	0	0	112.9	K101 C131 V145 S149 K150 G153	K101-P147 HydrophobicContact CB-CB 4.41Å; C131-P147 HydrophobicContact CB-CG 4.06Å; C131-P147 WeakPolarHBondContact SG-CG 3.32Å; V145-P147 HydrophobicContact CG1-CG 4.3Å; P147-S149 PolarHBondContact O-N 2.84Å; P147-K150 PolarHBondContact O-N 2.84Å; P147-G153 CarbonylContact O-C 3.52Å; P147-G153 VanDerWaalsContact O-C 3.29Å; P147-G153 WeakPolarHBondContact O-CA 3.28Å
148	S	87.3	Confident	90.1	Very high	81 Å²	81	58.7 Å²	58.7	57%	0.566	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.1	-26.5	-179.4	-35	0	0	0	0	111.9	D146 K150	D146-S148 PolarHBondContact O-N 3.3Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 3.33Å; D146-S148 PolarHBondContact OD1-N 3.46Å; D146-S148 PolarHBondContact OD1-OG 2.92Å; S148-K150 VanDerWaalsContact C-N 3.31Å
149	S	85.7	Confident	90.3	Very high	85 Å²	85	54.1 Å²	54.1	59%	0.594	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-77.2	-15.2	177	72.3	0	0	0	0	113.6	D146 P147	D146-S149 PolarHBondContact O-N 3.46Å; D146-S149 VanDerWaalsContact O-N 3.17Å; D146-S149 PolarHBondContact O-OG 2.94Å; P147-S149 PolarHBondContact O-N 2.84Å
150	K	85.2	Confident	90.3	Very high	74 Å²	74	57.2 Å²	57.2	32%	0.322	31%	0.314	S	S	.	.	S	Bend	trans	-97.6	148.5	-176.3	-57.2	-73	176.4	140.1	0	111	P147 S148 G152 G153 E155 E167	P147-K150 PolarHBondContact O-N 2.84Å; S148-K150 VanDerWaalsContact C-N 3.31Å; K150-G152 PolarHBondContact O-N 3.37Å; K150-G153 PolarHBondContact O-N 3.11Å; K150-E155 WeakPolarHBondContact CE-OE1 3.33Å; K150-E155 HydrophobicContact CG-CB 4.23Å; K150-E155 HydrophobicContact CG-CG 4.4Å; K150-E155 IonicContact NZ-OE1 3.38Å; K150-E155 PolarHBondContact NZ-OE1 2.62Å; K150-E167 IonicContact NZ-OE1 2.87Å; K150-E167 IonicContact NZ-OE2 3.58Å; K150-E167 PolarHBondContact NZ-OE2 2.93Å; K150-E167 VanDerWaalsContact NZ-OE2 3.07Å
151	S	74.9	Confident	90.3	Very high	120 Å²	120	62.2 Å²	62.2	84%	0.839	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	127.8	176.5	56.8	0	0	0	0	110.6	G153	S151-G153 VanDerWaalsContact C-N 3.32Å; S151-G153 PolarHBondContact O-N 2.72Å
152	G	79.1	Confident	90.2	Very high	59 Å²	59	56.2 Å²	56.2	61%	0.608	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	6.8	-175.9	0	0	0	0	0	115.3	K150 A154	K150-G152 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact C-N 3.32Å; G152-A154 PolarHBondContact O-N 3.43Å
153	G	87.1	Confident	90.2	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	32%	0.322	C	S	.	.	S	Bend	trans	69.2	25.8	170.2	0	0	0	0	0	114.6	T100 K101 P147 K150 S151	T100-G153 CarbonylContact C-O 3.58Å; K101-G153 PolarHBondContact N-O 3.02Å; P147-G153 CarbonylContact O-C 3.52Å; P147-G153 VanDerWaalsContact O-C 3.29Å; P147-G153 WeakPolarHBondContact O-CA 3.28Å; K150-G153 PolarHBondContact O-N 3.11Å; S151-G153 VanDerWaalsContact C-N 3.32Å; S151-G153 PolarHBondContact O-N 2.72Å
154	A	90.1	Very high	90.4	Very high	10 Å²	10	57.3 Å²	57.3	8%	0.083	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	145.1	-175.4	0	0	0	0	0	112.3	L98 Y99 T100 G152	L98-A154 HydrophobicContact CD1-CB 4.23Å; Y99-A154 CarbonylContact O-C 3.55Å; Y99-A154 WeakPolarHBondContact O-CA 3.14Å; T100-A154 HydrophobicContact CG2-CB 4.06Å; G152-A154 VanDerWaalsContact C-N 3.32Å; G152-A154 PolarHBondContact O-N 3.43Å
155	E	91.9	Very high	90.4	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.093	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.2	-174.7	-174.2	165.3	-155.2	0	0	110.3	Y99 V145 K150 L157	Y99-E155 PolarHBondContact N-O 3.02Å; Y99-E155 PolarHBondContact O-N 3.23Å; V145-E155 WeakPolarHBondContact CG1-OE2 3.45Å; K150-E155 WeakPolarHBondContact CE-OE1 3.33Å; K150-E155 HydrophobicContact CG-CB 4.23Å; K150-E155 HydrophobicContact CG-CG 4.4Å; K150-E155 IonicContact NZ-OE1 3.38Å; K150-E155 PolarHBondContact NZ-OE1 2.62Å; E155-L157 HydrophobicContact CG-CD2 3.83Å; E155-L157 HydrophobicContact CG-CG 4.23Å
156	L	94.3	Very high	90.4	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.089	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.2	179.7	-82.7	163.9	0	0	0	109.3	L96 V97 L98 L113 Y168 M177	L96-L156 HydrophobicContact CD1-CB 4.33Å; L96-L156 HydrophobicContact CD1-CD2 4.2Å; L96-L156 HydrophobicContact CD2-CD2 4.18Å; L96-L156 HydrophobicContact CG-CD2 3.97Å; V97-L156 WeakPolarHBondContact O-CA 3.46Å; L98-L156 HydrophobicContact CB-CD2 3.79Å; L98-L156 HydrophobicContact CD1-CD2 3.8Å; L98-L156 HydrophobicContact CD1-CG 3.81Å; L98-L156 HydrophobicContact CG-CD2 4.4Å; L113-L156 HydrophobicContact CD1-CD2 4.45Å; L113-L156 HydrophobicContact CD2-CD2 4.41Å; L156-Y168 HydrophobicContact CB-CG 4.45Å; L156-Y168 HydrophobicContact CD1-CD1 4.08Å; L156-Y168 PolarHBondContact O-N 2.76Å; L156-M177 HydrophobicContact CD1-CE 3.53Å
157	L	96.1	Very high	90.5	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.9	179.4	-55.1	-175.4	0	0	0	110	V97 Y99 V145 E155 Y159 F164 E167	V97-L157 PolarHBondContact N-O 3.3Å; V97-L157 PolarHBondContact O-N 3.34Å; Y99-L157 HydrophobicContact CD2-CB 4.41Å; Y99-L157 HydrophobicContact CD2-CD1 3.99Å; Y99-L157 HydrophobicContact CD2-CG 4.03Å; Y99-L157 HydrophobicContact CE2-CB 4.03Å; Y99-L157 HydrophobicContact CE2-CD1 3.69Å; Y99-L157 HydrophobicContact CE2-CG 3.97Å; V145-L157 HydrophobicContact CG1-CD1 4.32Å; V145-L157 HydrophobicContact CG2-CD1 3.42Å; V145-L157 VanDerWaalsContact CG2-CD1 3.42Å; E155-L157 HydrophobicContact CG-CD2 3.83Å; E155-L157 HydrophobicContact CG-CG 4.23Å; L157-Y159 HydrophobicContact CB-CE2 3.87Å; L157-F164 HydrophobicContact CB-CE2 4.21Å; L157-F164 HydrophobicContact CD2-CE2 4.11Å; L157-E167 HydrophobicContact CD2-CB 4.15Å; L157-E167 HydrophobicContact CD2-CG 3.68Å
158	H	97.1	Very high	90.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.3	176.4	-177.5	-99.4	0	0	0	110.7	N94 V95 L96 H165 T166 F180 P184	N94-H158 PolarHBondContact OD1-NE2 3.18Å; V95-H158 WeakPolarHBondContact O-CA 3.26Å; V95-H158 PolarHBondContact O-CD2 3.29Å; L96-H158 HydrophobicContact CD1-CB 4.16Å; H158-H165 AromaticContact CE1-ND1 3.48Å; H158-H165 PolarHBondContact CE1-ND1 2.03Å; H158-H165 WeakPolarHBondContact ND1-CB 3Å; H158-H165 AromaticContact ND1-CG 3.55Å; H158-H165 AromaticContact ND1-ND1 2.89Å; H158-H165 PolarHBondContact ND1-ND1 2.94Å; H158-H165 PolarHBondContact O-N 2.85Å; H158-T166 HydrophobicContact CB-CG2 4.17Å; H158-T166 WeakPolarHBondContact CB-O 3.24Å; H158-T166 PolarHBondContact N-O 3.38Å; H158-T166 PolarHBondContact O-N 3.02Å; H158-F180 HydrophobicContact CB-CE1 3.75Å; H158-F180 HydrophobicContact CB-CZ 3.64Å; H158-F180 AromaticContact CD2-CE1 3.52Å; H158-F180 AromaticContact CD2-CZ 3.93Å; H158-F180 AromaticContact CG-CE1 3.57Å; H158-F180 AromaticContact CG-CZ 3.53Å; H158-F180 AromaticContact ND1-CZ 3.93Å; H158-P184 VanDerWaalsContact CE1-CB 3.49Å; H158-P184 WeakPolarHBondContact CE1-CB 3.2Å
159	Y	96.4	Very high	90.7	Very high	18 Å²	18	56.4 Å²	56.4	7%	0.071	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134	176.1	-61.2	-98.2	0	0	0	109	L89 V95 V97 Y99 L157 T163 F164	L89-Y159 HydrophobicContact CD1-CD1 3.66Å; L89-Y159 HydrophobicContact CD1-CE1 4.01Å; L89-Y159 HydrophobicContact CD1-CG 4.04Å; L89-Y159 VanDerWaalsContact CD2-CB 3.42Å; L89-Y159 HydrophobicContact CD2-CD1 4.09Å; L89-Y159 HydrophobicContact CD2-CD2 4.05Å; L89-Y159 HydrophobicContact CD2-CG 3.6Å; L89-Y159 HydrophobicContact CG-CG 4.49Å; V95-Y159 PolarHBondContact N-O 2.92Å; V95-Y159 PolarHBondContact O-N 3.34Å; V97-Y159 HydrophobicContact CB-CD2 4.43Å; V97-Y159 HydrophobicContact CB-CE2 4.04Å; V97-Y159 HydrophobicContact CG2-CD2 3.65Å; V97-Y159 HydrophobicContact CG2-CE2 3.63Å; Y99-Y159 HydrophobicContact CE2-CE2 4.31Å; Y99-Y159 PolarHBondContact OH-OH 3.18Å; L157-Y159 HydrophobicContact CB-CE2 3.87Å; Y159-T163 CarbonylContact C-O 3.58Å; Y159-T163 WeakPolarHBondContact CA-O 3.36Å; Y159-T163 WeakPolarHBondContact CB-O 3.2Å; Y159-F164 HydrophobicContact CD1-CB 4.19Å; Y159-F164 HydrophobicContact CE1-CB 4.08Å; Y159-F164 HydrophobicContact CE1-CD2 4.33Å
160	K	94.9	Very high	90.9	Very high	66 Å²	66	54 Å²	54	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131	177.5	-162.2	-177.4	173.6	-176.1	0	109.6	S93 G162 T163 H165	S93-K160 CarbonylContact O-C 3.6Å; S93-K160 WeakPolarHBondContact O-CA 3.22Å; K160-G162 PolarHBondContact O-N 3.49Å; K160-G162 VanDerWaalsContact O-N 3.15Å; K160-T163 PolarHBondContact N-O 2.59Å; K160-T163 PolarHBondContact O-N 3.07Å; K160-T163 VanDerWaalsContact O-O 3.14Å; K160-T163 PolarHBondContact O-OG1 2.79Å; K160-H165 HydrophobicContact CB-CB 3.78Å
161	D	93.3	Very high	91.1	Very high	109 Å²	109	53.2 Å²	53.2	58%	0.583	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.6	177.2	-56	-47.4	0	0	0	113.4	S93 T163	S93-D161 WeakPolarHBondContact CB-OD1 3.21Å; S93-D161 PolarHBondContact O-N 2.82Å; D161-T163 VanDerWaalsContact C-N 3.27Å; D161-T163 PolarHBondContact O-N 3.36Å
162	G	91	Very high	91.7	Very high	33 Å²	33	50.2 Å²	50.2	34%	0.34	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-1.2	178.7	0	0	0	0	0	115.7	L89 K160	L89-G162 WeakPolarHBondContact O-CA 3.39Å; L89-G162 PolarHBondContact O-N 3.1Å; K160-G162 PolarHBondContact O-N 3.49Å; K160-G162 VanDerWaalsContact O-N 3.15Å
163	T	92.4	Very high	92.3	Very high	91 Å²	91	50.7 Å²	50.7	56%	0.558	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.5	-178.1	63.3	0	0	0	0	111.7	Y159 K160 D161 H165	Y159-T163 CarbonylContact C-O 3.58Å; Y159-T163 WeakPolarHBondContact CA-O 3.36Å; Y159-T163 WeakPolarHBondContact CB-O 3.2Å; K160-T163 PolarHBondContact N-O 2.59Å; K160-T163 PolarHBondContact O-N 3.07Å; K160-T163 VanDerWaalsContact O-O 3.14Å; K160-T163 PolarHBondContact O-OG1 2.79Å; D161-T163 VanDerWaalsContact C-N 3.27Å; D161-T163 PolarHBondContact O-N 3.36Å; T163-H165 PolarHBondContact O-N 2.72Å
164	F	94.3	Very high	92.5	Very high	109 Å²	109	55.2 Å²	55.2	48%	0.478	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	129.3	171.9	172.6	-103	0	0	0	109.1	L157 Y159 T166 E167	L157-F164 HydrophobicContact CB-CE2 4.21Å; L157-F164 HydrophobicContact CD2-CE2 4.11Å; Y159-F164 HydrophobicContact CD1-CB 4.19Å; Y159-F164 HydrophobicContact CE1-CB 4.08Å; Y159-F164 HydrophobicContact CE1-CD2 4.33Å; F164-T166 VanDerWaalsContact CZ-C 3.46Å; F164-E167 HydrophobicContact CZ-CG 4.05Å
165	H	93.3	Very high	92.5	Very high	67 Å²	67	58.1 Å²	58.1	31%	0.31	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-59	179.9	173.9	-132.1	0	0	0	110.7	H158 K160 T163 P184	H158-H165 AromaticContact CE1-ND1 3.48Å; H158-H165 PolarHBondContact CE1-ND1 2.03Å; H158-H165 WeakPolarHBondContact ND1-CB 3Å; H158-H165 AromaticContact ND1-CG 3.55Å; H158-H165 AromaticContact ND1-ND1 2.89Å; H158-H165 PolarHBondContact ND1-ND1 2.94Å; H158-H165 PolarHBondContact O-N 2.85Å; K160-H165 HydrophobicContact CB-CB 3.78Å; T163-H165 PolarHBondContact O-N 2.72Å; H165-P184 PolarHBondContact CE1-O 2.67Å
166	T	93.6	Very high	92.4	Very high	44 Å²	44	57.2 Å²	57.2	27%	0.27	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	159.3	-178.5	-168.9	0	0	0	0	112.7	H158 F164 F180	H158-T166 HydrophobicContact CB-CG2 4.17Å; H158-T166 WeakPolarHBondContact CB-O 3.24Å; H158-T166 PolarHBondContact N-O 3.38Å; H158-T166 PolarHBondContact O-N 3.02Å; F164-T166 VanDerWaalsContact CZ-C 3.46Å; T166-F180 HydrophobicContact CG2-CE2 4.03Å; T166-F180 HydrophobicContact CG2-CZ 3.8Å
167	E	93.5	Very high	92.4	Very high	89 Å²	89	56.4 Å²	56.4	42%	0.416	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.4	162.8	-55.4	-167.9	-169.7	0	0	109	K150 L157 F164 N169	K150-E167 IonicContact NZ-OE1 2.87Å; K150-E167 IonicContact NZ-OE2 3.58Å; K150-E167 PolarHBondContact NZ-OE2 2.93Å; K150-E167 VanDerWaalsContact NZ-OE2 3.07Å; L157-E167 HydrophobicContact CD2-CB 4.15Å; L157-E167 HydrophobicContact CD2-CG 3.68Å; F164-E167 HydrophobicContact CZ-CG 4.05Å; E167-N169 PolarHBondContact O-N 3.1Å
168	Y	92.2	Very high	92.3	Very high	24 Å²	24	56.7 Å²	56.7	9%	0.094	30%	0.301	C	S	.	.			trans	-73.2	102.7	173.6	-176.6	-91	0	0	0	109.4	L156 R170 P171 S176 M177 F180	L156-Y168 HydrophobicContact CB-CG 4.45Å; L156-Y168 HydrophobicContact CD1-CD1 4.08Å; L156-Y168 PolarHBondContact O-N 2.76Å; Y168-R170 HydrophobicContact CE1-CB 4.1Å; Y168-R170 WeakPolarHBondContact CE1-O 3.13Å; Y168-R170 HydrophobicContact CE2-CB 4.07Å; Y168-P171 PolarHBondContact OH-O 2.95Å; Y168-S176 WeakPolarHBondContact OH-CB 3.1Å; Y168-S176 PolarHBondContact OH-OG 2.84Å; Y168-S176 VanDerWaalsContact OH-OG 3.07Å; Y168-M177 HydrophobicContact CD1-CE 4.39Å; Y168-M177 HydrophobicContact CE1-CE 3.9Å; Y168-M177 HydrophobicContact CE1-CG 4.17Å; Y168-M177 HydrophobicContact CE2-CG 4.06Å; Y168-M177 WeakPolarHBondContact OH-CG 3.2Å; Y168-M177 PolarHBondContact OH-N 2.98Å; Y168-F180 AromaticContact CD2-CD1 3.71Å; Y168-F180 HydrophobicContact CD2-CD1 3.71Å; Y168-F180 AromaticContact CD2-CE1 3.98Å; Y168-F180 HydrophobicContact CD2-CE1 3.98Å; Y168-F180 HydrophobicContact CD2-CG 4.01Å; Y168-F180 HydrophobicContact CD2-CZ 4.5Å; Y168-F180 HydrophobicContact CE2-CB 3.97Å; Y168-F180 AromaticContact CE2-CD1 3.91Å; Y168-F180 HydrophobicContact CE2-CD1 3.91Å; Y168-F180 AromaticContact CE2-CG 3.91Å; Y168-F180 HydrophobicContact CE2-CG 3.91Å
169	N	88.7	Confident	92	Very high	137 Å²	137	58 Å²	58	73%	0.733	31%	0.312	S	S	*	.			trans	-109	10.7	-175.7	64.4	-7.2	0	0	0	113.7	E167	E167-N169 PolarHBondContact O-N 3.1Å
170	R	89.1	Confident	91.9	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.128	31%	0.309	C	S	.	.	S	Bend	trans	-89.6	167.3	178.3	-56.5	-174.6	-171.9	-164.1	0.3	111.3	Y168 A172 S176 G186 A187	Y168-R170 HydrophobicContact CE1-CB 4.1Å; Y168-R170 WeakPolarHBondContact CE1-O 3.13Å; Y168-R170 HydrophobicContact CE2-CB 4.07Å; R170-A172 PolarHBondContact O-N 2.9Å; R170-S176 WeakPolarHBondContact CB-OG 3.45Å; R170-G186 PolarHBondContact NH2-O 3.04Å; R170-A187 PolarHBondContact NH1-O 3.44Å
171	P	89.4	Confident	91.9	Very high	58 Å²	58	54.2 Å²	54.2	38%	0.377	30%	0.296	S	S	.	.			trans	-52.2	134.5	171.8	-28.5	37.6	0	0	0	111.8	Y168 T173 S176 E192	Y168-P171 PolarHBondContact OH-O 2.95Å; P171-T173 HydrophobicContact CB-CG2 4.03Å; P171-T173 PolarHBondContact O-N 2.81Å; P171-S176 VanDerWaalsContact O-CB 3.24Å; P171-S176 WeakPolarHBondContact O-CB 3.33Å; P171-S176 PolarHBondContact O-OG 3.36Å; P171-E192 HydrophobicContact CG-CB 4.27Å; P171-E192 HydrophobicContact CG-CG 4.13Å
172	A	88.6	Confident	91.8	Very high	57 Å²	57	54.3 Å²	54.3	47%	0.471	29%	0.291	S	S	.	.			trans	-78.9	61.8	178	0	0	0	0	0	111.1	L112 R170 M177	L112-A172 WeakPolarHBondContact CD2-O 3.27Å; R170-A172 PolarHBondContact O-N 2.9Å; A172-M177 HydrophobicContact CB-CE 3.98Å
173	T	90.6	Very high	91.7	Very high	68 Å²	68	56.5 Å²	56.5	42%	0.417	30%	0.295	S	S	.	.	S	Bend	trans	-113.5	157.3	178.1	70.4	0	0	0	0	110.3	P171 K175 S176 M177	P171-T173 HydrophobicContact CB-CG2 4.03Å; P171-T173 PolarHBondContact O-N 2.81Å; T173-K175 VanDerWaalsContact C-N 3.32Å; T173-K175 PolarHBondContact O-N 3.46Å; T173-S176 PolarHBondContact O-N 2.88Å; T173-S176 VanDerWaalsContact OG1-CB 3.26Å; T173-S176 WeakPolarHBondContact OG1-CB 3.49Å; T173-S176 PolarHBondContact OG1-N 2.9Å; T173-M177 WeakPolarHBondContact O-CB 3.36Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å; T173-M177 PolarHBondContact O-N 2.87Å
174	Y	91.4	Very high	91.5	Very high	100 Å²	100	52.9 Å²	52.9	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-56.9	-47.3	-180	173.6	-95.1	0	0	0	111.7	L112 D115 V116 V119 M177 V178	L112-Y174 HydrophobicContact CD1-CD2 4.5Å; D115-Y174 HydrophobicContact CB-CD2 4.07Å; D115-Y174 HydrophobicContact CB-CE2 4.03Å; V116-Y174 HydrophobicContact CG2-CD2 3.76Å; V116-Y174 HydrophobicContact CG2-CE2 4.3Å; V119-Y174 WeakPolarHBondContact CG2-OH 3.25Å; Y174-M177 PolarHBondContact O-N 3.43Å; Y174-V178 HydrophobicContact CD1-CG2 4.43Å; Y174-V178 HydrophobicContact CD2-CG2 4.32Å; Y174-V178 HydrophobicContact CE1-CG2 4.12Å; Y174-V178 HydrophobicContact CE2-CG2 3.99Å; Y174-V178 WeakPolarHBondContact O-CB 3.26Å; Y174-V178 VanDerWaalsContact O-CG2 3.25Å; Y174-V178 WeakPolarHBondContact O-CG2 3.35Å; Y174-V178 PolarHBondContact O-N 2.84Å
175	K	89.6	Confident	91.2	Very high	71 Å²	71	51.8 Å²	51.8	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-45.2	-178.5	-167.7	176.8	177.1	-167	0	112.3	T173 V178 A179 L189 E191 E203	T173-K175 VanDerWaalsContact C-N 3.32Å; T173-K175 PolarHBondContact O-N 3.46Å; K175-V178 PolarHBondContact O-N 2.94Å; K175-A179 VanDerWaalsContact O-CB 3.3Å; K175-A179 WeakPolarHBondContact O-CB 3.46Å; K175-A179 PolarHBondContact O-N 3.37Å; K175-L189 HydrophobicContact CD-CD1 4.12Å; K175-L189 HydrophobicContact CG-CD1 3.75Å; K175-E191 WeakPolarHBondContact CD-OE1 3.47Å; K175-E191 WeakPolarHBondContact CE-OE1 3.08Å; K175-E191 IonicContact NZ-OE1 3.71Å; K175-E191 PolarHBondContact NZ-OE1 2.9Å; K175-E191 IonicContact NZ-OE2 3.54Å; K175-E191 PolarHBondContact NZ-OE2 2.94Å; K175-E203 WeakPolarHBondContact CD-OE1 3.4Å; K175-E203 VanDerWaalsContact NZ-CD 3.29Å; K175-E203 IonicContact NZ-OE1 2.69Å; K175-E203 PolarHBondContact NZ-OE1 3.14Å
176	S	91.6	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-45.7	179.5	-168.1	0	0	0	0	111.9	Y168 R170 P171 T173 A179 F180 E192	Y168-S176 WeakPolarHBondContact OH-CB 3.1Å; Y168-S176 PolarHBondContact OH-OG 2.84Å; Y168-S176 VanDerWaalsContact OH-OG 3.07Å; R170-S176 WeakPolarHBondContact CB-OG 3.45Å; P171-S176 VanDerWaalsContact O-CB 3.24Å; P171-S176 WeakPolarHBondContact O-CB 3.33Å; P171-S176 PolarHBondContact O-OG 3.36Å; T173-S176 PolarHBondContact O-N 2.88Å; T173-S176 VanDerWaalsContact OG1-CB 3.26Å; T173-S176 WeakPolarHBondContact OG1-CB 3.49Å; T173-S176 PolarHBondContact OG1-N 2.9Å; S176-A179 PolarHBondContact O-N 3.48Å; S176-F180 VanDerWaalsContact O-CB 3.28Å; S176-F180 WeakPolarHBondContact O-CB 3.19Å; S176-F180 PolarHBondContact O-N 3.02Å; S176-E192 WeakPolarHBondContact CA-OE1 3.48Å; S176-E192 WeakPolarHBondContact CB-OE1 3.46Å; S176-E192 PolarHBondContact OG-OE1 3.35Å; S176-E192 PolarHBondContact OG-OE2 3.22Å
177	M	94	Very high	89.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-41.2	179	-71.1	-176.1	162.9	0	0	112.5	L112 L113 V116 L156 Y168 A172 T173 Y174 L181	L112-M177 HydrophobicContact CD2-CE 4.22Å; L112-M177 HydrophobicContact CD2-SD 3.76Å; L112-M177 HydrophobicContact CG-SD 3.99Å; L113-M177 HydrophobicContact CD2-CE 4.07Å; L113-M177 HydrophobicContact CD2-SD 3.75Å; V116-M177 HydrophobicContact CG1-CB 4Å; V116-M177 HydrophobicContact CG2-CB 3.81Å; V116-M177 HydrophobicContact CG2-SD 4.31Å; L156-M177 HydrophobicContact CD1-CE 3.53Å; Y168-M177 HydrophobicContact CD1-CE 4.39Å; Y168-M177 HydrophobicContact CE1-CE 3.9Å; Y168-M177 HydrophobicContact CE1-CG 4.17Å; Y168-M177 HydrophobicContact CE2-CG 4.06Å; Y168-M177 WeakPolarHBondContact OH-CG 3.2Å; Y168-M177 PolarHBondContact OH-N 2.98Å; A172-M177 HydrophobicContact CB-CE 3.98Å; T173-M177 WeakPolarHBondContact O-CB 3.36Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å; T173-M177 PolarHBondContact O-N 2.87Å; Y174-M177 PolarHBondContact O-N 3.43Å; M177-L181 WeakPolarHBondContact O-CB 3.36Å; M177-L181 PolarHBondContact O-N 2.81Å
178	V	93.3	Very high	89.5	Confident	14 Å²	14	50.1 Å²	50.1	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-48	174.8	170.1	0	0	0	0	110.4	V116 V119 V120 Y174 K175 F180 L181 K182	V116-V178 HydrophobicContact CB-CG2 4.43Å; V116-V178 HydrophobicContact CG1-CG2 3.99Å; V116-V178 HydrophobicContact CG2-CG2 4.24Å; V119-V178 HydrophobicContact CG1-CG1 4.25Å; V119-V178 HydrophobicContact CG1-CG2 4.45Å; V120-V178 HydrophobicContact CG1-CG1 4.37Å; V120-V178 HydrophobicContact CG1-CG2 4.39Å; Y174-V178 HydrophobicContact CD1-CG2 4.43Å; Y174-V178 HydrophobicContact CD2-CG2 4.32Å; Y174-V178 HydrophobicContact CE1-CG2 4.12Å; Y174-V178 HydrophobicContact CE2-CG2 3.99Å; Y174-V178 WeakPolarHBondContact O-CB 3.26Å; Y174-V178 VanDerWaalsContact O-CG2 3.25Å; Y174-V178 WeakPolarHBondContact O-CG2 3.35Å; Y174-V178 PolarHBondContact O-N 2.84Å; K175-V178 PolarHBondContact O-N 2.94Å; V178-F180 PolarHBondContact O-N 2.94Å; V178-L181 PolarHBondContact O-N 3.36Å; V178-K182 HydrophobicContact CG1-CD 4.08Å; V178-K182 HydrophobicContact CG1-CG 4.36Å; V178-K182 VanDerWaalsContact O-CG 3.29Å; V178-K182 WeakPolarHBondContact O-CG 3.12Å; V178-K182 PolarHBondContact O-N 3.37Å
179	A	90.9	Very high	89.2	Confident	27 Å²	27	51.2 Å²	51.2	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-46.4	179.3	0	0	0	0	0	111.4	K175 S176 K182 D183 L189	K175-A179 VanDerWaalsContact O-CB 3.3Å; K175-A179 WeakPolarHBondContact O-CB 3.46Å; K175-A179 PolarHBondContact O-N 3.37Å; S176-A179 PolarHBondContact O-N 3.48Å; A179-K182 PolarHBondContact O-N 3.2Å; A179-D183 PolarHBondContact O-N 3.11Å; A179-L189 HydrophobicContact CB-CD1 3.97Å; A179-L189 HydrophobicContact CB-CD2 4.09Å; A179-L189 HydrophobicContact CB-CG 4.11Å
180	F	94.1	Very high	89.3	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-44.6	175.8	176.1	-100.4	0	0	0	112.5	L96 H158 T166 Y168 S176 V178 K182 D183 P184	L96-F180 HydrophobicContact CD1-CE1 4.41Å; H158-F180 HydrophobicContact CB-CE1 3.75Å; H158-F180 HydrophobicContact CB-CZ 3.64Å; H158-F180 AromaticContact CD2-CE1 3.52Å; H158-F180 AromaticContact CD2-CZ 3.93Å; H158-F180 AromaticContact CG-CE1 3.57Å; H158-F180 AromaticContact CG-CZ 3.53Å; H158-F180 AromaticContact ND1-CZ 3.93Å; T166-F180 HydrophobicContact CG2-CE2 4.03Å; T166-F180 HydrophobicContact CG2-CZ 3.8Å; Y168-F180 AromaticContact CD2-CD1 3.71Å; Y168-F180 HydrophobicContact CD2-CD1 3.71Å; Y168-F180 AromaticContact CD2-CE1 3.98Å; Y168-F180 HydrophobicContact CD2-CE1 3.98Å; Y168-F180 HydrophobicContact CD2-CG 4.01Å; Y168-F180 HydrophobicContact CD2-CZ 4.5Å; Y168-F180 HydrophobicContact CE2-CB 3.97Å; Y168-F180 AromaticContact CE2-CD1 3.91Å; Y168-F180 HydrophobicContact CE2-CD1 3.91Å; Y168-F180 AromaticContact CE2-CG 3.91Å; Y168-F180 HydrophobicContact CE2-CG 3.91Å; S176-F180 VanDerWaalsContact O-CB 3.28Å; S176-F180 WeakPolarHBondContact O-CB 3.19Å; S176-F180 PolarHBondContact O-N 3.02Å; V178-F180 PolarHBondContact O-N 2.94Å; F180-K182 VanDerWaalsContact C-N 3.32Å; F180-K182 PolarHBondContact O-N 2.94Å; F180-D183 CarbonylContact O-C 3.51Å; F180-D183 PolarHBondContact O-N 2.96Å; F180-P184 HydrophobicContact CE2-CB 4.27Å; F180-P184 HydrophobicContact CZ-CB 4.27Å; F180-P184 WeakPolarHBondContact O-CA 3.43Å; F180-P184 VanDerWaalsContact O-CD 3.31Å; F180-P184 WeakPolarHBondContact O-CD 3.33Å; F180-P184 WeakPolarHBondContact O-CG 3.21Å
181	L	94.5	Very high	89.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.4	-24.1	-179.9	-80.7	173	0	0	0	113.4	N94 L96 V116 V120 I126 M177 V178	N94-L181 PolarHBondContact ND2-O 3.3Å; L96-L181 HydrophobicContact CB-CD2 3.88Å; L96-L181 HydrophobicContact CD2-CD1 4.22Å; L96-L181 HydrophobicContact CD2-CG 4.5Å; V116-L181 HydrophobicContact CG1-CD1 3.7Å; V120-L181 HydrophobicContact CB-CB 4.31Å; V120-L181 HydrophobicContact CG1-CB 3.82Å; V120-L181 HydrophobicContact CG1-CD1 4.27Å; V120-L181 HydrophobicContact CG2-CD1 3.86Å; I126-L181 HydrophobicContact CD1-CD1 3.82Å; I126-L181 HydrophobicContact CG1-CD1 3.94Å; M177-L181 WeakPolarHBondContact O-CB 3.36Å; M177-L181 PolarHBondContact O-N 2.81Å; V178-L181 PolarHBondContact O-N 3.36Å
182	K	91.5	Very high	89.1	Confident	112 Å²	112	44.8 Å²	44.8	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-76.2	-37.7	172.6	-71.1	-172.2	173.4	-179.7	0	112.4	V178 A179 F180	V178-K182 HydrophobicContact CG1-CD 4.08Å; V178-K182 HydrophobicContact CG1-CG 4.36Å; V178-K182 VanDerWaalsContact O-CG 3.29Å; V178-K182 WeakPolarHBondContact O-CG 3.12Å; V178-K182 PolarHBondContact O-N 3.37Å; A179-K182 PolarHBondContact O-N 3.2Å; F180-K182 VanDerWaalsContact C-N 3.32Å; F180-K182 PolarHBondContact O-N 2.94Å
183	D	89.3	Confident	89	Confident	78 Å²	78	44.5 Å²	44.5	42%	0.417	25%	0.247	S	C	.	.			trans	-140	86	175.7	-178.3	9.4	0	0	0	110.6	A179 F180 T185 G186	A179-D183 PolarHBondContact O-N 3.11Å; F180-D183 CarbonylContact O-C 3.51Å; F180-D183 PolarHBondContact O-N 2.96Å; D183-T185 PolarHBondContact O-N 2.81Å; D183-T185 PolarHBondContact OD1-N 2.88Å; D183-T185 PolarHBondContact OD1-OG1 3.36Å; D183-G186 VanDerWaalsContact CG-CA 3.43Å; D183-G186 VanDerWaalsContact CG-N 3.25Å; D183-G186 PolarHBondContact O-N 2.96Å; D183-G186 PolarHBondContact OD1-N 3.02Å; D183-G186 WeakPolarHBondContact OD2-CA 3.37Å; D183-G186 PolarHBondContact OD2-N 3.3Å
184	P	88.7	Confident	88.8	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.104	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.1	-176.8	-23.7	33.3	0	0	0	113.6	H158 H165 F180	H158-P184 VanDerWaalsContact CE1-CB 3.49Å; H158-P184 WeakPolarHBondContact CE1-CB 3.2Å; H165-P184 PolarHBondContact CE1-O 2.67Å; F180-P184 HydrophobicContact CE2-CB 4.27Å; F180-P184 HydrophobicContact CZ-CB 4.27Å; F180-P184 WeakPolarHBondContact O-CA 3.43Å; F180-P184 VanDerWaalsContact O-CD 3.31Å; F180-P184 WeakPolarHBondContact O-CD 3.33Å; F180-P184 WeakPolarHBondContact O-CG 3.21Å
185	T	86.4	Confident	88.6	Confident	86 Å²	86	47.9 Å²	47.9	53%	0.528	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.6	177.4	43.2	0	0	0	0	113	D183	D183-T185 PolarHBondContact O-N 2.81Å; D183-T185 PolarHBondContact OD1-N 2.88Å; D183-T185 PolarHBondContact OD1-OG1 3.36Å
186	G	79.9	Confident	88.5	Confident	16 Å²	16	44.6 Å²	44.6	17%	0.165	26%	0.257	C	S	.	.	S	Bend	trans	-69.6	154	-179.3	0	0	0	0	0	112	R170 D183	R170-G186 PolarHBondContact NH2-O 3.04Å; D183-G186 VanDerWaalsContact CG-CA 3.43Å; D183-G186 VanDerWaalsContact CG-N 3.25Å; D183-G186 PolarHBondContact O-N 2.96Å; D183-G186 PolarHBondContact OD1-N 3.02Å; D183-G186 WeakPolarHBondContact OD2-CA 3.37Å; D183-G186 PolarHBondContact OD2-N 3.3Å
187	A	80	Confident	88.5	Confident	69 Å²	69	52.2 Å²	52.2	57%	0.57	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-62.8	154.8	173.4	0	0	0	0	0	111.4	R170	R170-A187 PolarHBondContact NH1-O 3.44Å
188	P	84.8	Confident	88.6	Confident	80 Å²	80	53.6 Å²	53.6	52%	0.519	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-52.3	152.8	166	-26.3	36.4	0	0	0	112.1	E192	P188-E192 HydrophobicContact CB-CB 4.39Å; P188-E192 WeakPolarHBondContact CB-OE2 3.42Å
189	L	87.6	Confident	88.7	Confident	46 Å²	46	53.4 Å²	53.4	24%	0.241	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65.7	150.3	173.6	-60.8	173.8	0	0	0	109.6	K175 A179 E191 E192	K175-L189 HydrophobicContact CD-CD1 4.12Å; K175-L189 HydrophobicContact CG-CD1 3.75Å; A179-L189 HydrophobicContact CB-CD1 3.97Å; A179-L189 HydrophobicContact CB-CD2 4.09Å; A179-L189 HydrophobicContact CB-CG 4.11Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 HydrophobicContact CB-CG 4.01Å; L189-E191 WeakPolarHBondContact CD1-OE1 3.17Å; L189-E191 PolarHBondContact O-N 3.27Å; L189-E192 HydrophobicContact CB-CG 3.98Å; L189-E192 PolarHBondContact N-OE2 2.99Å; L189-E192 VanDerWaalsContact O-CB 3.32Å; L189-E192 WeakPolarHBondContact O-CB 3.41Å; L189-E192 PolarHBondContact O-N 3.3Å
190	W	89.1	Confident	89	Confident	10 Å²	10	54.9 Å²	54.9	4%	0.038	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60.5	-38	-175.8	-175.9	25.2	0	0	0	112.7	E192 N193 A196 I199 H201 M222 Y224 Q235 F238 Q239	W190-E192 PolarHBondContact O-N 3.48Å; W190-N193 VanDerWaalsContact O-CB 3.31Å; W190-N193 WeakPolarHBondContact O-CB 3.31Å; W190-N193 PolarHBondContact O-N 2.93Å; W190-N193 VanDerWaalsContact O-N 3.12Å; W190-A196 WeakPolarHBondContact O-CB 3.33Å; W190-I199 HydrophobicContact CH2-CG2 4.17Å; W190-I199 HydrophobicContact CZ2-CD1 4.41Å; W190-I199 HydrophobicContact CZ2-CG1 4.15Å; W190-I199 HydrophobicContact CZ2-CG2 4.31Å; W190-H201 AromaticContact CD2-CE1 3.8Å; W190-H201 AromaticContact CG-CE1 3.96Å; W190-M222 HydrophobicContact CH2-CE 4.37Å; W190-M222 HydrophobicContact CH2-SD 3.8Å; W190-M222 HydrophobicContact CZ3-CE 4.26Å; W190-M222 HydrophobicContact CZ3-SD 4.12Å; W190-Y224 HydrophobicContact CE3-CD1 4.14Å; W190-Y224 AromaticContact CE3-CE1 3.57Å; W190-Y224 HydrophobicContact CE3-CE1 3.57Å; W190-Y224 HydrophobicContact CE3-CE2 4.49Å; W190-Y224 AromaticContact CE3-CZ 3.78Å; W190-Y224 AromaticContact CZ3-CD1 3.99Å; W190-Y224 HydrophobicContact CZ3-CD1 3.99Å; W190-Y224 AromaticContact CZ3-CE1 3.77Å; W190-Y224 HydrophobicContact CZ3-CE1 3.77Å; W190-Q235 HydrophobicContact CD2-CB 4.5Å; W190-Q235 HydrophobicContact CD2-CG 3.7Å; W190-Q235 VanDerWaalsContact CE2-CG 3.48Å; W190-Q235 HydrophobicContact CE3-CG 4.2Å; W190-Q235 HydrophobicContact CG-CG 4.03Å; W190-Q235 HydrophobicContact CH2-CG 4.31Å; W190-Q235 HydrophobicContact CZ2-CB 4.16Å; W190-Q235 HydrophobicContact CZ2-CG 3.84Å; W190-Q235 HydrophobicContact CZ3-CG 4.47Å; W190-F238 AromaticContact CH2-CD1 3.63Å; W190-F238 HydrophobicContact CH2-CD1 3.63Å; W190-F238 HydrophobicContact CH2-CE1 4.15Å; W190-F238 AromaticContact CZ2-CD1 3.98Å; W190-F238 HydrophobicContact CZ2-CD1 3.98Å; W190-Q239 VanDerWaalsContact CD1-NE2 3.34Å; W190-Q239 HydrophobicContact CZ2-CG 4.27Å
191	E	87.1	Confident	89.1	Confident	54 Å²	54	57 Å²	57	25%	0.252	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-66.5	-13.9	174.6	67	-135.2	-154.3	0	0	115.1	K175 L189 N193 H201	K175-E191 WeakPolarHBondContact CD-OE1 3.47Å; K175-E191 WeakPolarHBondContact CE-OE1 3.08Å; K175-E191 IonicContact NZ-OE1 3.71Å; K175-E191 PolarHBondContact NZ-OE1 2.9Å; K175-E191 IonicContact NZ-OE2 3.54Å; K175-E191 PolarHBondContact NZ-OE2 2.94Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 HydrophobicContact CB-CG 4.01Å; L189-E191 WeakPolarHBondContact CD1-OE1 3.17Å; L189-E191 PolarHBondContact O-N 3.27Å; E191-N193 VanDerWaalsContact C-N 3.32Å; E191-H201 WeakPolarHBondContact CA-NE2 3.48Å; E191-H201 HydrophobicContact CB-CB 4.13Å
192	E	87.5	Confident	89.1	Confident	30 Å²	30	57.5 Å²	57.5	14%	0.14	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-84.2	-13.6	174.5	-63.1	169.9	-174	0	0	111.6	P171 S176 P188 L189 W190 P194	P171-E192 HydrophobicContact CG-CB 4.27Å; P171-E192 HydrophobicContact CG-CG 4.13Å; S176-E192 WeakPolarHBondContact CA-OE1 3.48Å; S176-E192 WeakPolarHBondContact CB-OE1 3.46Å; S176-E192 PolarHBondContact OG-OE1 3.35Å; S176-E192 PolarHBondContact OG-OE2 3.22Å; P188-E192 HydrophobicContact CB-CB 4.39Å; P188-E192 WeakPolarHBondContact CB-OE2 3.42Å; L189-E192 HydrophobicContact CB-CG 3.98Å; L189-E192 PolarHBondContact N-OE2 2.99Å; L189-E192 VanDerWaalsContact O-CB 3.32Å; L189-E192 WeakPolarHBondContact O-CB 3.41Å; L189-E192 PolarHBondContact O-N 3.3Å; W190-E192 PolarHBondContact O-N 3.48Å; E192-P194 WeakPolarHBondContact O-CD 3.39Å
193	N	87.6	Confident	89.1	Confident	52 Å²	52	57.1 Å²	57.1	28%	0.278	32%	0.315	S	S	.	.			trans	-72.1	121	178.3	-178.7	-11.6	0	0	0	109.4	W190 E191 E195 A196 Q239	W190-N193 VanDerWaalsContact O-CB 3.31Å; W190-N193 WeakPolarHBondContact O-CB 3.31Å; W190-N193 PolarHBondContact O-N 2.93Å; W190-N193 VanDerWaalsContact O-N 3.12Å; E191-N193 VanDerWaalsContact C-N 3.32Å; N193-E195 PolarHBondContact O-N 2.86Å; N193-E195 VanDerWaalsContact O-N 3.17Å; N193-E195 WeakPolarHBondContact OD1-CB 3.36Å; N193-E195 PolarHBondContact OD1-N 3.23Å; N193-A196 HydrophobicContact CB-CB 4.21Å; N193-A196 WeakPolarHBondContact O-CA 3.42Å; N193-A196 VanDerWaalsContact O-CB 3.25Å; N193-A196 WeakPolarHBondContact O-CB 3.24Å; N193-A196 PolarHBondContact O-N 3.19Å; N193-Q239 PolarHBondContact ND2-NE2 3.17Å
194	P	85.9	Confident	89.3	Confident	110 Å²	110	56.1 Å²	56.1	71%	0.714	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.6	179.2	25.5	-35.5	0	0	0	113.7	E192 A196	E192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-A196 PolarHBondContact O-N 2.86Å
195	E	86.5	Confident	89.6	Confident	128 Å²	128	58.5 Å²	58.5	60%	0.598	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-74.2	-16.9	174.8	-58.4	180	160.7	0	0	112.2	N193 K197	N193-E195 PolarHBondContact O-N 2.86Å; N193-E195 VanDerWaalsContact O-N 3.17Å; N193-E195 WeakPolarHBondContact OD1-CB 3.36Å; N193-E195 PolarHBondContact OD1-N 3.23Å; E195-K197 VanDerWaalsContact C-N 3.28Å; E195-K197 PolarHBondContact O-N 3.3Å
196	A	88.9	Confident	90	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-83	5.7	176.6	0	0	0	0	0	114.4	W190 N193 P194 D198 I199 Q239	W190-A196 WeakPolarHBondContact O-CB 3.33Å; N193-A196 HydrophobicContact CB-CB 4.21Å; N193-A196 WeakPolarHBondContact O-CA 3.42Å; N193-A196 VanDerWaalsContact O-CB 3.25Å; N193-A196 WeakPolarHBondContact O-CB 3.24Å; N193-A196 PolarHBondContact O-N 3.19Å; P194-A196 PolarHBondContact O-N 2.86Å; A196-D198 PolarHBondContact O-N 3.42Å; A196-I199 WeakPolarHBondContact O-CB 3.41Å; A196-I199 PolarHBondContact O-N 3.43Å; A196-Q239 HydrophobicContact CB-CG 4.13Å; A196-Q239 VanDerWaalsContact CB-NE2 3.34Å
197	K	90.8	Very high	90.8	Very high	161 Å²	161	64.9 Å²	64.9	70%	0.7	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.2	-173.3	69.8	-173.3	179.4	-173.4	0	115.3	E195	E195-K197 VanDerWaalsContact C-N 3.28Å; E195-K197 PolarHBondContact O-N 3.3Å
198	D	95.4	Very high	91.6	Very high	30 Å²	30	61.6 Å²	61.6	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.2	-179.1	-66.6	-52.2	0	0	0	112.8	A196 A242 T243 K246	A196-D198 PolarHBondContact O-N 3.42Å; D198-A242 HydrophobicContact CB-CB 4.39Å; D198-T243 PolarHBondContact OD2-OG1 3.27Å; D198-K246 VanDerWaalsContact OD1-CD 3.31Å; D198-K246 WeakPolarHBondContact OD1-CD 3.4Å; D198-K246 WeakPolarHBondContact OD1-CE 3.47Å; D198-K246 IonicContact OD1-NZ 2.66Å; D198-K246 PolarHBondContact OD1-NZ 2.95Å
199	I	96.9	Very high	92.2	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.051	31%	0.308	C	S	.	.	S	Bend	trans	-88	133.5	171.4	-60.8	-67	0	0	0	110	W190 A196 H201 F238 Q239 A242 L251	W190-I199 HydrophobicContact CH2-CG2 4.17Å; W190-I199 HydrophobicContact CZ2-CD1 4.41Å; W190-I199 HydrophobicContact CZ2-CG1 4.15Å; W190-I199 HydrophobicContact CZ2-CG2 4.31Å; A196-I199 WeakPolarHBondContact O-CB 3.41Å; A196-I199 PolarHBondContact O-N 3.43Å; I199-H201 PolarHBondContact O-CD2 3.25Å; I199-H201 PolarHBondContact O-N 3.29Å; I199-F238 HydrophobicContact CD1-CD1 3.46Å; I199-F238 VanDerWaalsContact CD1-CD1 3.46Å; I199-F238 HydrophobicContact CD1-CE1 3.77Å; I199-F238 HydrophobicContact CD1-CG 4.49Å; I199-Q239 HydrophobicContact CG1-CG 4.09Å; I199-A242 HydrophobicContact CD1-CB 3.33Å; I199-A242 HydrophobicContact CG1-CB 4.18Å; I199-L251 HydrophobicContact CD1-CB 3.86Å
200	V	96.6	Very high	92.6	Very high	58 Å²	58	65.2 Å²	65.2	35%	0.352	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.9	169.4	179.7	0	0	0	0	109.2	V202 L211 V250 L251 A252 G253	V200-V202 HydrophobicContact CG1-CG2 4.26Å; V200-L211 HydrophobicContact CG1-CD1 4.25Å; V200-L211 HydrophobicContact CG1-CD2 4.03Å; V200-V250 HydrophobicContact CB-CG1 4.33Å; V200-V250 HydrophobicContact CG2-CG1 3.74Å; V200-L251 PolarHBondContact N-O 2.97Å; V200-A252 HydrophobicContact CB-CB 3.97Å; V200-A252 CarbonylContact O-C 3.59Å; V200-A252 WeakPolarHBondContact O-CA 3.04Å; V200-A252 WeakPolarHBondContact O-CB 3.41Å; V200-G253 PolarHBondContact O-N 2.85Å
201	H	95.2	Very high	93	Very high	49 Å²	49	66 Å²	66	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124	175.9	-65.4	-80	0	0	0	110.7	W190 E191 I199	W190-H201 AromaticContact CD2-CE1 3.8Å; W190-H201 AromaticContact CG-CE1 3.96Å; E191-H201 WeakPolarHBondContact CA-NE2 3.48Å; E191-H201 HydrophobicContact CB-CB 4.13Å; I199-H201 PolarHBondContact O-CD2 3.25Å; I199-H201 PolarHBondContact O-N 3.29Å
202	V	96	Very high	93.4	Very high	10 Å²	10	64 Å²	64	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	-179.6	-178.9	0	0	0	0	109.1	V200 D207 F208 L211 M221 G253 M254	V200-V202 HydrophobicContact CG1-CG2 4.26Å; V202-D207 HydrophobicContact CG1-CB 4.13Å; V202-F208 HydrophobicContact CG1-CB 3.7Å; V202-L211 HydrophobicContact CG2-CD2 3.88Å; V202-M221 HydrophobicContact CG2-CE 4.04Å; V202-G253 PolarHBondContact N-O 3.37Å; V202-M254 HydrophobicContact CB-CB 4.15Å; V202-M254 HydrophobicContact CB-CG 4.25Å; V202-M254 HydrophobicContact CB-SD 4.46Å; V202-M254 HydrophobicContact CG1-CG 4.24Å; V202-M254 HydrophobicContact CG1-SD 3.9Å; V202-M254 WeakPolarHBondContact O-CG 3.31Å
203	E	90.4	Very high	93.8	Very high	104 Å²	104	71.6 Å²	71.6	49%	0.486	35%	0.345	S	S	.	.			trans	-105	-32.4	-175.1	-58	-168.8	164.1	0	0	113.1	K175 F261	K175-E203 WeakPolarHBondContact CD-OE1 3.4Å; K175-E203 VanDerWaalsContact NZ-CD 3.29Å; K175-E203 IonicContact NZ-OE1 2.69Å; K175-E203 PolarHBondContact NZ-OE1 3.14Å; E203-F261 WeakPolarHBondContact O-CZ 3.14Å
204	T	94.3	Very high	94.2	Very high	57 Å²	57	77.9 Å²	77.9	35%	0.35	37%	0.365	S	S	.	.	S	Bend	trans	-125.4	154.6	-173.7	74.6	0	0	0	0	111	K206 D207 F208	T204-K206 PolarHBondContact O-N 2.73Å; T204-K206 PolarHBondContact OG1-N 2.95Å; T204-D207 PolarHBondContact O-N 3.13Å; T204-D207 VanDerWaalsContact O-N 3.16Å; T204-D207 PolarHBondContact OG1-N 3.14Å; T204-D207 VanDerWaalsContact OG1-N 3.09Å; T204-D207 PolarHBondContact OG1-OD2 3.49Å; T204-F208 PolarHBondContact O-N 3.19Å
205	E	94.6	Very high	94.6	Very high	66 Å²	66	74.4 Å²	74.4	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-32.4	173.5	-173	-178.1	148.5	0	0	111.6	F208 R209 F261 L264	E205-F208 WeakPolarHBondContact O-CB 2.98Å; E205-F208 PolarHBondContact O-N 3.44Å; E205-R209 HydrophobicContact CG-CG 4.41Å; E205-R209 WeakPolarHBondContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.49Å; E205-R209 PolarHBondContact O-N 3.32Å; E205-R209 IonicContact OE1-CZ 3.95Å; E205-R209 IonicContact OE1-NE 2.74Å; E205-R209 PolarHBondContact OE1-NE 2.97Å; E205-R209 IonicContact OE1-NH2 2.71Å; E205-R209 PolarHBondContact OE1-NH2 2.74Å; E205-F261 HydrophobicContact CB-CE1 4.34Å; E205-L264 HydrophobicContact CG-CD1 4.3Å
206	K	96.1	Very high	94.9	Very high	169 Å²	169	76.6 Å²	76.6	74%	0.735	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-44.1	175.7	-176.6	179.9	178.4	179.8	0	111.6	T204 R209 K210	T204-K206 PolarHBondContact O-N 2.73Å; T204-K206 PolarHBondContact OG1-N 2.95Å; K206-R209 PolarHBondContact O-N 3.15Å; K206-K210 VanDerWaalsContact O-CB 3.22Å; K206-K210 WeakPolarHBondContact O-CB 3.3Å; K206-K210 PolarHBondContact O-N 3.09Å
207	D	96.3	Very high	95.2	Very high	67 Å²	67	81 Å²	81	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-69.6	-37.8	178	-63.8	-43.2	0	0	0	111.4	V202 T204 K210 L211	V202-D207 HydrophobicContact CG1-CB 4.13Å; T204-D207 PolarHBondContact O-N 3.13Å; T204-D207 VanDerWaalsContact O-N 3.16Å; T204-D207 PolarHBondContact OG1-N 3.14Å; T204-D207 VanDerWaalsContact OG1-N 3.09Å; T204-D207 PolarHBondContact OG1-OD2 3.49Å; D207-K210 PolarHBondContact O-N 3.08Å; D207-L211 WeakPolarHBondContact O-CB 3.37Å; D207-L211 PolarHBondContact O-N 2.99Å
208	F	97	Very high	95.5	Very high	1 Å²	1	74.6 Å²	74.6	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-55.3	-56	171	174.7	-104.2	0	0	0	111.2	V202 T204 E205 K210 L211 L212 M221 M254 L264 Y268 F279	V202-F208 HydrophobicContact CG1-CB 3.7Å; T204-F208 PolarHBondContact O-N 3.19Å; E205-F208 WeakPolarHBondContact O-CB 2.98Å; E205-F208 PolarHBondContact O-N 3.44Å; F208-K210 VanDerWaalsContact C-N 3.29Å; F208-K210 PolarHBondContact O-N 3.34Å; F208-L211 WeakPolarHBondContact O-CB 3.5Å; F208-L211 PolarHBondContact O-N 3.4Å; F208-L212 HydrophobicContact CD1-CD1 4.29Å; F208-L212 HydrophobicContact CE1-CD1 3.6Å; F208-L212 HydrophobicContact CE1-CG 4.42Å; F208-L212 HydrophobicContact CE2-CD1 4.21Å; F208-L212 HydrophobicContact CE2-CG 4.4Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 HydrophobicContact CZ-CG 4.23Å; F208-L212 WeakPolarHBondContact O-CG 3.48Å; F208-L212 PolarHBondContact O-N 2.81Å; F208-M221 HydrophobicContact CD2-CE 3.72Å; F208-M221 HydrophobicContact CE2-CE 3.85Å; F208-M221 HydrophobicContact CE2-CG 4.11Å; F208-M254 HydrophobicContact CB-SD 4.01Å; F208-M254 HydrophobicContact CD2-SD 4.13Å; F208-M254 HydrophobicContact CG-SD 4.21Å; F208-L264 HydrophobicContact CD1-CD1 3.72Å; F208-L264 HydrophobicContact CE1-CD1 3.93Å; F208-L264 HydrophobicContact CG-CD1 4.12Å; F208-L264 HydrophobicContact CZ-CD1 4.5Å; F208-Y268 AromaticContact CE1-CE2 3.53Å; F208-Y268 HydrophobicContact CE1-CE2 3.53Å; F208-Y268 AromaticContact CE1-CZ 3.84Å; F208-Y268 HydrophobicContact CZ-CD2 4.35Å; F208-Y268 AromaticContact CZ-CE2 3.66Å; F208-Y268 HydrophobicContact CZ-CE2 3.66Å; F208-Y268 AromaticContact CZ-CZ 3.89Å; F208-F279 HydrophobicContact CE2-CE2 4.32Å; F208-F279 HydrophobicContact CE2-CZ 4.14Å; F208-F279 HydrophobicContact CZ-CE1 4.17Å; F208-F279 HydrophobicContact CZ-CE2 4.3Å; F208-F279 AromaticContact CZ-CZ 3.67Å; F208-F279 HydrophobicContact CZ-CZ 3.67Å
209	R	95.9	Very high	95.6	Very high	106 Å²	106	73.2 Å²	73.2	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-36	180	-67.9	-176.8	-174.3	-71.2	-1.2	111.9	E205 K206 K213 E267	E205-R209 HydrophobicContact CG-CG 4.41Å; E205-R209 WeakPolarHBondContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.49Å; E205-R209 PolarHBondContact O-N 3.32Å; E205-R209 IonicContact OE1-CZ 3.95Å; E205-R209 IonicContact OE1-NE 2.74Å; E205-R209 PolarHBondContact OE1-NE 2.97Å; E205-R209 IonicContact OE1-NH2 2.71Å; E205-R209 PolarHBondContact OE1-NH2 2.74Å; K206-R209 PolarHBondContact O-N 3.15Å; R209-K213 WeakPolarHBondContact O-CB 3.38Å; R209-K213 PolarHBondContact O-N 3.09Å; R209-K213 VanDerWaalsContact O-N 3.11Å; R209-E267 IonicContact CZ-OE2 3.63Å; R209-E267 IonicContact NH1-OE1 2.68Å; R209-E267 IonicContact NH1-OE2 2.63Å; R209-E267 IonicContact NH2-OE2 3.91Å; R209-E267 PolarHBondContact NH2-OE2 2.89Å
210	K	96.9	Very high	95.7	Very high	95 Å²	95	72.8 Å²	72.8	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-41	175.7	-177.2	-175.9	176.5	-168.8	0	112	K206 D207 F208 K213 R214	K206-K210 VanDerWaalsContact O-CB 3.22Å; K206-K210 WeakPolarHBondContact O-CB 3.3Å; K206-K210 PolarHBondContact O-N 3.09Å; D207-K210 PolarHBondContact O-N 3.08Å; F208-K210 VanDerWaalsContact C-N 3.29Å; F208-K210 PolarHBondContact O-N 3.34Å; K210-K213 PolarHBondContact O-N 3.02Å; K210-R214 HydrophobicContact CG-CG 4.43Å; K210-R214 WeakPolarHBondContact O-CB 3.48Å; K210-R214 WeakPolarHBondContact O-CG 3.39Å; K210-R214 PolarHBondContact O-N 3.48Å
211	L	97.1	Very high	95.7	Very high	27 Å²	27	70 Å²	70	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-51.6	175.5	177.5	65	0	0	0	109.9	V200 V202 D207 F208 K213 R214 E215 I219 M221 A252	V200-L211 HydrophobicContact CG1-CD1 4.25Å; V200-L211 HydrophobicContact CG1-CD2 4.03Å; V202-L211 HydrophobicContact CG2-CD2 3.88Å; D207-L211 WeakPolarHBondContact O-CB 3.37Å; D207-L211 PolarHBondContact O-N 2.99Å; F208-L211 WeakPolarHBondContact O-CB 3.5Å; F208-L211 PolarHBondContact O-N 3.4Å; L211-K213 VanDerWaalsContact C-N 3.25Å; L211-K213 PolarHBondContact O-N 2.89Å; L211-R214 PolarHBondContact O-N 2.82Å; L211-E215 HydrophobicContact CD1-CB 4.17Å; L211-E215 VanDerWaalsContact O-CB 3.25Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 3.41Å; L211-I219 HydrophobicContact CD1-CD1 4.45Å; L211-I219 HydrophobicContact CD2-CD1 4.38Å; L211-I219 HydrophobicContact CG-CD1 3.9Å; L211-M221 HydrophobicContact CD2-CE 3.81Å; L211-A252 HydrophobicContact CD2-CB 3.99Å
212	L	96.5	Very high	95.8	Very high	13 Å²	13	67.7 Å²	67.7	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-35.8	178.1	-64.8	-173.4	0	0	0	113.2	F208 I219 F279 G282	F208-L212 HydrophobicContact CD1-CD1 4.29Å; F208-L212 HydrophobicContact CE1-CD1 3.6Å; F208-L212 HydrophobicContact CE1-CG 4.42Å; F208-L212 HydrophobicContact CE2-CD1 4.21Å; F208-L212 HydrophobicContact CE2-CG 4.4Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 HydrophobicContact CZ-CG 4.23Å; F208-L212 WeakPolarHBondContact O-CG 3.48Å; F208-L212 PolarHBondContact O-N 2.81Å; L212-I219 HydrophobicContact CD2-CD1 3.84Å; L212-F279 HydrophobicContact CD1-CD1 3.81Å; L212-F279 HydrophobicContact CD1-CE1 3.62Å; L212-F279 HydrophobicContact CD1-CZ 4.29Å; L212-F279 HydrophobicContact CD2-CB 3.85Å; L212-F279 HydrophobicContact CD2-CD1 3.47Å; L212-F279 VanDerWaalsContact CD2-CD1 3.47Å; L212-F279 HydrophobicContact CD2-CD2 3.86Å; L212-F279 HydrophobicContact CD2-CE1 3.94Å; L212-F279 HydrophobicContact CD2-CE2 4.28Å; L212-F279 HydrophobicContact CD2-CG 3.45Å; L212-F279 VanDerWaalsContact CD2-CG 3.45Å; L212-F279 HydrophobicContact CD2-CZ 4.34Å; L212-F279 HydrophobicContact CG-CD1 4.29Å; L212-F279 HydrophobicContact CG-CE1 4.45Å; L212-G282 WeakPolarHBondContact O-CA 3.04Å
213	K	95.7	Very high	95.9	Very high	188 Å²	188	67.2 Å²	67.2	82%	0.817	30%	0.3	S	S	*	.	H	α-helix	trans	-76.4	-34.3	-179.2	-175.7	173.3	180	175.9	0	113.6	R209 K210 L211	R209-K213 WeakPolarHBondContact O-CB 3.38Å; R209-K213 PolarHBondContact O-N 3.09Å; R209-K213 VanDerWaalsContact O-N 3.11Å; K210-K213 PolarHBondContact O-N 3.02Å; L211-K213 VanDerWaalsContact C-N 3.25Å; L211-K213 PolarHBondContact O-N 2.89Å
214	R	94.9	Very high	96.1	Very high	185 Å²	185	63 Å²	63	70%	0.698	28%	0.28	S	S	*	.	H	α-helix	trans	-96.5	-29.9	-170.6	-71.2	-174.9	177	-154.5	-5.1	113.6	K210 L211 E216	K210-R214 HydrophobicContact CG-CG 4.43Å; K210-R214 WeakPolarHBondContact O-CB 3.48Å; K210-R214 WeakPolarHBondContact O-CG 3.39Å; K210-R214 PolarHBondContact O-N 3.48Å; L211-R214 PolarHBondContact O-N 2.82Å; R214-E216 PolarHBondContact O-N 2.8Å
215	E	95.1	Very high	95.9	Very high	37 Å²	37	60.4 Å²	60.4	17%	0.173	26%	0.264	C	S	.	.			trans	-83.7	118.2	-176.3	-175.3	54.8	-103.8	0	0	109.7	L211 R217 I219 V250	L211-E215 HydrophobicContact CD1-CB 4.17Å; L211-E215 VanDerWaalsContact O-CB 3.25Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 3.41Å; E215-R217 HydrophobicContact CG-CB 4.32Å; E215-R217 VanDerWaalsContact OE1-CB 3.25Å; E215-R217 WeakPolarHBondContact OE1-CB 3.41Å; E215-R217 WeakPolarHBondContact OE1-CG 3.5Å; E215-R217 IonicContact OE1-CZ 2.69Å; E215-R217 PolarHBondContact OE1-N 2.87Å; E215-R217 IonicContact OE1-NE 3.79Å; E215-R217 PolarHBondContact OE1-NE 2.79Å; E215-R217 IonicContact OE1-NH2 3.96Å; E215-R217 IonicContact OE2-CZ 2.91Å; E215-R217 IonicContact OE2-NE 3.34Å; E215-R217 IonicContact OE2-NH2 2.79Å; E215-R217 PolarHBondContact OE2-NH2 2.99Å; E215-I219 HydrophobicContact CB-CD1 3.86Å; E215-I219 HydrophobicContact CB-CG1 4.33Å; E215-I219 HydrophobicContact CG-CD1 3.96Å; E215-I219 HydrophobicContact CG-CG1 3.86Å; E215-V250 HydrophobicContact CG-CB 4.34Å; E215-V250 HydrophobicContact CG-CG2 3.75Å; E215-V250 WeakPolarHBondContact OE2-CG2 3.37Å
216	E	93	Very high	95.4	Very high	174 Å²	174	60.2 Å²	60.2	81%	0.813	27%	0.268	S	S	*	.			trans	-82.9	-26.5	177.7	-63.7	-175.1	170	0	0	111.5	R214	R214-E216 PolarHBondContact O-N 2.8Å
217	R	95.3	Very high	94.6	Very high	95 Å²	95	59.6 Å²	59.6	36%	0.358	26%	0.261	S	S	.	.	S	Bend	trans	-71.6	151.6	178	-63.4	171.1	-67.6	176.2	5	110.5	E215 I219 G247 V250	E215-R217 HydrophobicContact CG-CB 4.32Å; E215-R217 VanDerWaalsContact OE1-CB 3.25Å; E215-R217 WeakPolarHBondContact OE1-CB 3.41Å; E215-R217 WeakPolarHBondContact OE1-CG 3.5Å; E215-R217 IonicContact OE1-CZ 2.69Å; E215-R217 PolarHBondContact OE1-N 2.87Å; E215-R217 IonicContact OE1-NE 3.79Å; E215-R217 PolarHBondContact OE1-NE 2.79Å; E215-R217 IonicContact OE1-NH2 3.96Å; E215-R217 IonicContact OE2-CZ 2.91Å; E215-R217 IonicContact OE2-NE 3.34Å; E215-R217 IonicContact OE2-NH2 2.79Å; E215-R217 PolarHBondContact OE2-NH2 2.99Å; R217-I219 PolarHBondContact O-N 3.02Å; R217-G247 VanDerWaalsContact CD-O 3.25Å; R217-G247 WeakPolarHBondContact CD-O 3.42Å; R217-V250 HydrophobicContact CB-CG2 4.35Å
218	P	96.6	Very high	94	Very high	25 Å²	25	56.7 Å²	56.7	16%	0.162	25%	0.246	C	C	.	.			trans	-63	137.4	174.9	-19.6	31.3	0	0	0	111.9	F249 V250 Y278 F279	P218-F249 HydrophobicContact CB-CD1 3.9Å; P218-F249 HydrophobicContact CB-CE1 4.32Å; P218-F249 HydrophobicContact CG-CD1 3.88Å; P218-F249 HydrophobicContact CG-CE1 3.96Å; P218-V250 PolarHBondContact O-N 3.13Å; P218-Y278 HydrophobicContact CB-CE2 3.5Å; P218-Y278 WeakPolarHBondContact CB-OH 3.4Å; P218-F279 CarbonylContact C-O 3.59Å; P218-F279 WeakPolarHBondContact CA-O 3.16Å
219	I	98.1	Very high	93.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.4	-179	-59.3	158.2	0	0	0	109.3	L211 L212 E215 R217 M221 V250 A252 Y278 F279	L211-I219 HydrophobicContact CD1-CD1 4.45Å; L211-I219 HydrophobicContact CD2-CD1 4.38Å; L211-I219 HydrophobicContact CG-CD1 3.9Å; L212-I219 HydrophobicContact CD2-CD1 3.84Å; E215-I219 HydrophobicContact CB-CD1 3.86Å; E215-I219 HydrophobicContact CB-CG1 4.33Å; E215-I219 HydrophobicContact CG-CD1 3.96Å; E215-I219 HydrophobicContact CG-CG1 3.86Å; R217-I219 PolarHBondContact O-N 3.02Å; I219-M221 HydrophobicContact CG2-CE 4.43Å; I219-V250 CarbonylContact C-O 3.54Å; I219-V250 WeakPolarHBondContact CA-O 3.48Å; I219-V250 HydrophobicContact CG1-CB 3.93Å; I219-V250 HydrophobicContact CG1-CG1 4.18Å; I219-V250 HydrophobicContact CG2-CG1 4.39Å; I219-A252 HydrophobicContact CG2-CB 4.2Å; I219-Y278 WeakPolarHBondContact O-CA 3.49Å; I219-Y278 WeakPolarHBondContact O-CD2 3.16Å; I219-F279 HydrophobicContact CB-CB 4.27Å; I219-F279 PolarHBondContact N-O 3Å; I219-F279 PolarHBondContact O-N 3.4Å
220	L	97.5	Very high	92.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114	161.2	-173.2	62	0	0	0	108.7	F238 V250 L251 A252 F276 I298 W301 M302	L220-F238 HydrophobicContact CD2-CE2 3.82Å; L220-F238 HydrophobicContact CG-CE2 4.03Å; L220-F238 HydrophobicContact CG-CZ 4.33Å; L220-F238 WeakPolarHBondContact O-CZ 3.03Å; L220-V250 PolarHBondContact N-O 3.34Å; L220-L251 HydrophobicContact CB-CD1 4.31Å; L220-L251 HydrophobicContact CB-CG 4.25Å; L220-L251 WeakPolarHBondContact O-CA 3.42Å; L220-A252 PolarHBondContact O-N 3.42Å; L220-F276 HydrophobicContact CD1-CB 4.13Å; L220-I298 HydrophobicContact CD2-CG2 3.76Å; L220-W301 HydrophobicContact CD1-CZ3 4.09Å; L220-M302 HydrophobicContact CB-CE 3.85Å; L220-M302 HydrophobicContact CB-SD 3.69Å; L220-M302 HydrophobicContact CD1-SD 4.5Å; L220-M302 HydrophobicContact CD2-CG 4.34Å; L220-M302 HydrophobicContact CD2-SD 3.9Å; L220-M302 HydrophobicContact CG-SD 4.25Å
221	M	97.6	Very high	92.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121	-177.8	-179.1	64.8	63.6	0	0	110.4	V202 F208 L211 I219 L223 A252 M254 F276 C277 F279	V202-M221 HydrophobicContact CG2-CE 4.04Å; F208-M221 HydrophobicContact CD2-CE 3.72Å; F208-M221 HydrophobicContact CE2-CE 3.85Å; F208-M221 HydrophobicContact CE2-CG 4.11Å; L211-M221 HydrophobicContact CD2-CE 3.81Å; I219-M221 HydrophobicContact CG2-CE 4.43Å; M221-L223 HydrophobicContact CG-CD2 3.48Å; M221-L223 VanDerWaalsContact CG-CD2 3.48Å; M221-L223 HydrophobicContact CG-CG 4.14Å; M221-L223 HydrophobicContact SD-CD2 4.27Å; M221-A252 CarbonylContact C-O 3.55Å; M221-A252 WeakPolarHBondContact CA-O 3.4Å; M221-A252 HydrophobicContact CE-CB 3.34Å; M221-A252 HydrophobicContact SD-CB 3.64Å; M221-M254 HydrophobicContact SD-CB 4.03Å; M221-F276 CarbonylContact O-C 3.6Å; M221-F276 VanDerWaalsContact O-CA 3.26Å; M221-F276 WeakPolarHBondContact O-CA 3.34Å; M221-C277 HydrophobicContact CB-CB 4.4Å; M221-C277 PolarHBondContact N-O 2.89Å; M221-C277 PolarHBondContact O-N 3.19Å; M221-F279 HydrophobicContact CB-CD2 4.29Å; M221-F279 HydrophobicContact CB-CE2 3.84Å
222	M	97.4	Very high	92.2	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.7	169.7	-179.9	174.5	149.8	0	0	110.1	W190 Y224 C231 Q235 F238 A252 G253 M254 P274 F276	W190-M222 HydrophobicContact CH2-CE 4.37Å; W190-M222 HydrophobicContact CH2-SD 3.8Å; W190-M222 HydrophobicContact CZ3-CE 4.26Å; W190-M222 HydrophobicContact CZ3-SD 4.12Å; M222-Y224 HydrophobicContact CE-CD1 4.41Å; M222-Y224 HydrophobicContact CE-CG 4.12Å; M222-C231 HydrophobicContact CE-CB 3.89Å; M222-Q235 HydrophobicContact CE-CG 4.03Å; M222-F238 HydrophobicContact CB-CD1 4.4Å; M222-F238 HydrophobicContact CB-CE1 3.9Å; M222-F238 HydrophobicContact CB-CE2 4.29Å; M222-F238 HydrophobicContact CB-CZ 3.84Å; M222-F238 HydrophobicContact SD-CD1 4.36Å; M222-F238 HydrophobicContact SD-CG 4.31Å; M222-A252 PolarHBondContact N-O 2.87Å; M222-G253 WeakPolarHBondContact O-CA 3.32Å; M222-M254 PolarHBondContact O-N 3.15Å; M222-P274 HydrophobicContact CE-CB 4.2Å; M222-P274 HydrophobicContact CG-CB 4.12Å; M222-F276 HydrophobicContact CB-CD1 3.79Å; M222-F276 HydrophobicContact CB-CE1 3.62Å; M222-F276 HydrophobicContact CG-CD1 4.06Å; M222-F276 HydrophobicContact CG-CE1 3.52Å; M222-F276 HydrophobicContact CG-CZ 4.13Å; M222-F276 HydrophobicContact SD-CE1 3.72Å; M222-F276 HydrophobicContact SD-CZ 4.05Å
223	L	97.4	Very high	91.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.3	171.6	-54.8	-176.6	0	0	0	108.8	M221 M254 V256 L264 V270 P274 T275	M221-L223 HydrophobicContact CG-CD2 3.48Å; M221-L223 VanDerWaalsContact CG-CD2 3.48Å; M221-L223 HydrophobicContact CG-CG 4.14Å; M221-L223 HydrophobicContact SD-CD2 4.27Å; L223-M254 WeakPolarHBondContact CA-O 3.42Å; L223-M254 HydrophobicContact CD2-CB 3.92Å; L223-V256 HydrophobicContact CB-CG1 4.39Å; L223-V256 HydrophobicContact CB-CG2 3.87Å; L223-V256 HydrophobicContact CD2-CG1 3.91Å; L223-L264 HydrophobicContact CD1-CD2 3.9Å; L223-L264 HydrophobicContact CD2-CD2 4.38Å; L223-V270 HydrophobicContact CD1-CG2 3.49Å; L223-V270 VanDerWaalsContact CD1-CG2 3.49Å; L223-P274 WeakPolarHBondContact O-CA 3.44Å; L223-T275 WeakPolarHBondContact CB-O 3.35Å; L223-T275 PolarHBondContact N-O 3.21Å; L223-T275 PolarHBondContact O-N 3.21Å
224	Y	94.9	Very high	91.7	Very high	16 Å²	16	53.7 Å²	53.7	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	171.6	-170.2	74.3	-84.8	0	0	0	113.6	W190 M222 M254 N255 V256	W190-Y224 HydrophobicContact CE3-CD1 4.14Å; W190-Y224 AromaticContact CE3-CE1 3.57Å; W190-Y224 HydrophobicContact CE3-CE1 3.57Å; W190-Y224 HydrophobicContact CE3-CE2 4.49Å; W190-Y224 AromaticContact CE3-CZ 3.78Å; W190-Y224 AromaticContact CZ3-CD1 3.99Å; W190-Y224 HydrophobicContact CZ3-CD1 3.99Å; W190-Y224 AromaticContact CZ3-CE1 3.77Å; W190-Y224 HydrophobicContact CZ3-CE1 3.77Å; M222-Y224 HydrophobicContact CE-CD1 4.41Å; M222-Y224 HydrophobicContact CE-CG 4.12Å; Y224-M254 VanDerWaalsContact CD1-C 3.49Å; Y224-M254 WeakPolarHBondContact CD1-O 3.17Å; Y224-M254 PolarHBondContact N-O 3.17Å; Y224-N255 HydrophobicContact CE1-CB 4.33Å; Y224-N255 HydrophobicContact CE2-CB 4.11Å; Y224-N255 WeakPolarHBondContact O-CA 3.5Å; Y224-N255 PolarHBondContact O-OD1 3.26Å; Y224-V256 PolarHBondContact O-N 3.43Å
225	A	89.7	Confident	91.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	22%	0.219	C	C	.	.			trans	-126.3	144.4	170.5	0	0	0	0	0	110.4	W227 C228 H257 Y273	A225-W227 VanDerWaalsContact C-N 3.28Å; A225-W227 HydrophobicContact CB-CD2 4.19Å; A225-W227 HydrophobicContact CB-CZ2 3.96Å; A225-W227 PolarHBondContact O-N 3.34Å; A225-C228 HydrophobicContact CB-CB 4.17Å; A225-C228 VanDerWaalsContact O-CB 3.3Å; A225-C228 WeakPolarHBondContact O-CB 3.3Å; A225-C228 PolarHBondContact O-N 2.95Å; A225-C228 VanDerWaalsContact O-N 3.15Å; A225-H257 HydrophobicContact CB-CB 3.81Å; A225-Y273 HydrophobicContact CB-CD1 4.45Å; A225-Y273 HydrophobicContact CB-CD2 3.65Å; A225-Y273 HydrophobicContact CB-CE2 3.91Å; A225-Y273 HydrophobicContact CB-CG 3.94Å
226	P	84.8	Confident	91.6	Very high	62 Å²	62	48 Å²	48	40%	0.403	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26	-175.9	-24.2	35.3	0	0	0	114.6	K232 N255	P226-K232 WeakPolarHBondContact O-CE 3.44Å; P226-K232 PolarHBondContact O-NZ 3.13Å; P226-N255 WeakPolarHBondContact CD-OD1 3.43Å; P226-N255 WeakPolarHBondContact CG-ND2 3.16Å
227	W	78.6	Confident	91.7	Very high	156 Å²	156	41.2 Å²	41.2	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.9	178.3	51.2	-101.5	0	0	0	113.5	A225 G229 H257 Y273	A225-W227 VanDerWaalsContact C-N 3.28Å; A225-W227 HydrophobicContact CB-CD2 4.19Å; A225-W227 HydrophobicContact CB-CZ2 3.96Å; A225-W227 PolarHBondContact O-N 3.34Å; W227-G229 PolarHBondContact O-N 3.06Å; W227-H257 AromaticContact CD1-CD2 3.92Å; W227-H257 AromaticContact CD1-NE2 3.81Å; W227-H257 AromaticContact CE2-ND1 3.92Å; W227-H257 AromaticContact NE1-CD2 3.49Å; W227-H257 PolarHBondContact NE1-CD2 3.35Å; W227-H257 AromaticContact NE1-CE1 3.14Å; W227-H257 PolarHBondContact NE1-CE1 3.42Å; W227-H257 AromaticContact NE1-CG 3.42Å; W227-H257 AromaticContact NE1-ND1 3.19Å; W227-H257 PolarHBondContact NE1-ND1 3.18Å; W227-H257 VanDerWaalsContact NE1-ND1 3.19Å; W227-H257 AromaticContact NE1-NE2 3.29Å; W227-H257 PolarHBondContact NE1-NE2 2.87Å; W227-Y273 AromaticContact CH2-CD2 3.81Å; W227-Y273 HydrophobicContact CH2-CD2 3.81Å; W227-Y273 HydrophobicContact CH2-CE2 4.08Å; W227-Y273 AromaticContact CZ2-CD2 3.96Å; W227-Y273 HydrophobicContact CZ2-CD2 3.96Å; W227-Y273 AromaticContact CZ2-CE2 3.87Å; W227-Y273 HydrophobicContact CZ2-CE2 3.87Å
228	C	84.6	Confident	91.7	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.047	19%	0.185	C	C	.	.			trans	-74.9	114.4	-175.5	161.4	0	0	0	0	111.8	A225 C231 K232 Y273	A225-C228 HydrophobicContact CB-CB 4.17Å; A225-C228 VanDerWaalsContact O-CB 3.3Å; A225-C228 WeakPolarHBondContact O-CB 3.3Å; A225-C228 PolarHBondContact O-N 2.95Å; A225-C228 VanDerWaalsContact O-N 3.15Å; C228-C231 HydrophobicContact CB-CB 3.69Å; C228-C231 WeakPolarHBondContact CB-SG 3.42Å; C228-C231 WeakPolarHBondContact O-CB 3.43Å; C228-C231 PolarHBondContact O-N 2.91Å; C228-C231 WeakPolarHBondContact SG-CB 3.24Å; C228-C231 PolarHBondContact SG-N 2.92Å; C228-C231 CovalentContact SG-SG 2.05Å; C228-C231 PolarHBondContact SG-SG 3.16Å; C228-K232 PolarHBondContact O-N 2.93Å; C228-Y273 VanDerWaalsContact SG-C 3.54Å; C228-Y273 PolarHBondContact SG-O 3.03Å
229	G	83.1	Confident	91.7	Very high	37 Å²	37	35.9 Å²	35.9	38%	0.381	18%	0.179	S	C	.	.	H	α-helix	trans	-65	-39.1	-178.6	0	0	0	0	0	114.2	W227 C231 K232 R233	W227-G229 PolarHBondContact O-N 3.06Å; G229-C231 VanDerWaalsContact C-N 3.33Å; G229-K232 PolarHBondContact O-N 3.26Å; G229-R233 PolarHBondContact O-N 3.48Å
230	V	84.6	Confident	91.6	Very high	50 Å²	50	40.9 Å²	40.9	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-41.6	176.1	-177.1	0	0	0	0	110.4	K232 R233 M234 P274	V230-K232 PolarHBondContact O-N 2.89Å; V230-R233 PolarHBondContact O-N 3.09Å; V230-R233 VanDerWaalsContact O-N 3.15Å; V230-M234 HydrophobicContact CG1-CG 4.35Å; V230-M234 WeakPolarHBondContact O-CG 3.47Å; V230-M234 PolarHBondContact O-N 3.47Å; V230-P274 HydrophobicContact CG1-CG 4.27Å
231	C	91.9	Very high	91.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178	-53.9	0	0	0	0	110.7	M222 C228 G229 R233 M234 Q235 Y273 P274	M222-C231 HydrophobicContact CE-CB 3.89Å; C228-C231 HydrophobicContact CB-CB 3.69Å; C228-C231 WeakPolarHBondContact CB-SG 3.42Å; C228-C231 WeakPolarHBondContact O-CB 3.43Å; C228-C231 PolarHBondContact O-N 2.91Å; C228-C231 WeakPolarHBondContact SG-CB 3.24Å; C228-C231 PolarHBondContact SG-N 2.92Å; C228-C231 CovalentContact SG-SG 2.05Å; C228-C231 PolarHBondContact SG-SG 3.16Å; G229-C231 VanDerWaalsContact C-N 3.33Å; C231-R233 VanDerWaalsContact C-N 3.29Å; C231-R233 PolarHBondContact O-N 2.87Å; C231-M234 PolarHBondContact O-N 3.17Å; C231-M234 VanDerWaalsContact O-N 3.08Å; C231-Q235 WeakPolarHBondContact O-CG 3.48Å; C231-Q235 PolarHBondContact O-N 2.84Å; C231-Y273 VanDerWaalsContact SG-CB 3.6Å; C231-P274 VanDerWaalsContact SG-CD 3.56Å
232	K	89.6	Confident	91.5	Very high	106 Å²	106	41 Å²	41	46%	0.461	20%	0.204	S	C	.	.	H	α-helix	trans	-58.6	-38.5	177.3	-67.8	179.1	-176.7	-180	0	112.8	P226 C228 G229 V230 P236	P226-K232 WeakPolarHBondContact O-CE 3.44Å; P226-K232 PolarHBondContact O-NZ 3.13Å; C228-K232 PolarHBondContact O-N 2.93Å; G229-K232 PolarHBondContact O-N 3.26Å; V230-K232 PolarHBondContact O-N 2.89Å; K232-P236 WeakPolarHBondContact O-CD 3.26Å
233	R	89.3	Confident	91.4	Very high	168 Å²	168	44.2 Å²	44.2	63%	0.634	22%	0.224	S	C	*	.	H	α-helix	trans	-70.1	-33.5	175.9	-68	-167.1	-59.4	-91.6	6	112.9	G229 V230 C231 P236	G229-R233 PolarHBondContact O-N 3.48Å; V230-R233 PolarHBondContact O-N 3.09Å; V230-R233 VanDerWaalsContact O-N 3.15Å; C231-R233 VanDerWaalsContact C-N 3.29Å; C231-R233 PolarHBondContact O-N 2.87Å; R233-P236 WeakPolarHBondContact O-CD 3.49Å; R233-P236 WeakPolarHBondContact O-CG 3.45Å
234	M	92.1	Very high	91.3	Very high	6 Å²	6	49 Å²	49	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-78.6	-26.4	179	-74.8	-60.7	-67.1	0	0	113.6	V230 C231 V237 F238 P274 F276 I298	V230-M234 HydrophobicContact CG1-CG 4.35Å; V230-M234 WeakPolarHBondContact O-CG 3.47Å; V230-M234 PolarHBondContact O-N 3.47Å; C231-M234 PolarHBondContact O-N 3.17Å; C231-M234 VanDerWaalsContact O-N 3.08Å; M234-V237 WeakPolarHBondContact O-CB 3.31Å; M234-V237 PolarHBondContact O-N 2.82Å; M234-F238 VanDerWaalsContact O-CB 3.31Å; M234-F238 WeakPolarHBondContact O-CB 3.32Å; M234-F238 PolarHBondContact O-N 3.26Å; M234-P274 HydrophobicContact CG-CG 4.48Å; M234-F276 HydrophobicContact CB-CZ 4.37Å; M234-F276 HydrophobicContact CE-CE2 4.19Å; M234-F276 HydrophobicContact CE-CZ 3.81Å; M234-F276 HydrophobicContact CG-CZ 4.44Å; M234-I298 HydrophobicContact CE-CD1 4.23Å
235	Q	93.8	Very high	91.3	Very high	35 Å²	35	48.6 Å²	48.6	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-49.5	-53.4	179.3	-78.3	175.7	-14.1	0	0	114.1	W190 M222 C231 V237 F238 Q239	W190-Q235 HydrophobicContact CD2-CB 4.5Å; W190-Q235 HydrophobicContact CD2-CG 3.7Å; W190-Q235 VanDerWaalsContact CE2-CG 3.48Å; W190-Q235 HydrophobicContact CE3-CG 4.2Å; W190-Q235 HydrophobicContact CG-CG 4.03Å; W190-Q235 HydrophobicContact CH2-CG 4.31Å; W190-Q235 HydrophobicContact CZ2-CB 4.16Å; W190-Q235 HydrophobicContact CZ2-CG 3.84Å; W190-Q235 HydrophobicContact CZ3-CG 4.47Å; M222-Q235 HydrophobicContact CE-CG 4.03Å; C231-Q235 WeakPolarHBondContact O-CG 3.48Å; C231-Q235 PolarHBondContact O-N 2.84Å; Q235-V237 VanDerWaalsContact C-N 3.34Å; Q235-V237 PolarHBondContact O-N 2.84Å; Q235-F238 PolarHBondContact O-N 3.12Å; Q235-Q239 WeakPolarHBondContact O-CB 3.44Å; Q235-Q239 WeakPolarHBondContact O-CG 3.14Å; Q235-Q239 PolarHBondContact O-N 2.95Å
236	P	93.7	Very high	91.5	Very high	68 Å²	68	55 Å²	55	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-39.8	179.3	23.1	-33.9	0	0	0	113.1	K232 R233 F238 Q239 Q240	K232-P236 WeakPolarHBondContact O-CD 3.26Å; R233-P236 WeakPolarHBondContact O-CD 3.49Å; R233-P236 WeakPolarHBondContact O-CG 3.45Å; P236-F238 VanDerWaalsContact C-N 3.32Å; P236-F238 PolarHBondContact O-N 3.27Å; P236-Q239 PolarHBondContact O-N 2.8Å; P236-Q240 PolarHBondContact O-N 3.11Å
237	V	94.9	Very high	91.9	Very high	31 Å²	31	54.3 Å²	54.3	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-43.8	176.2	-175.6	0	0	0	0	110.8	M234 Q235 Q240 A241 G293 A295 I298	M234-V237 WeakPolarHBondContact O-CB 3.31Å; M234-V237 PolarHBondContact O-N 2.82Å; Q235-V237 VanDerWaalsContact C-N 3.34Å; Q235-V237 PolarHBondContact O-N 2.84Å; V237-Q240 PolarHBondContact O-N 2.77Å; V237-A241 WeakPolarHBondContact O-CB 3.43Å; V237-A241 PolarHBondContact O-N 2.85Å; V237-G293 WeakPolarHBondContact CG1-O 3.1Å; V237-A295 HydrophobicContact CG1-CB 4.3Å; V237-A295 WeakPolarHBondContact O-CB 3.36Å; V237-I298 HydrophobicContact CG1-CD1 3.9Å
238	F	96.4	Very high	92.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-38.7	-179.1	-161.5	-105.6	0	0	0	112	W190 I199 L220 M222 M234 Q235 P236 A241 A242 L251 A252 F276 I298	W190-F238 AromaticContact CH2-CD1 3.63Å; W190-F238 HydrophobicContact CH2-CD1 3.63Å; W190-F238 HydrophobicContact CH2-CE1 4.15Å; W190-F238 AromaticContact CZ2-CD1 3.98Å; W190-F238 HydrophobicContact CZ2-CD1 3.98Å; I199-F238 HydrophobicContact CD1-CD1 3.46Å; I199-F238 VanDerWaalsContact CD1-CD1 3.46Å; I199-F238 HydrophobicContact CD1-CE1 3.77Å; I199-F238 HydrophobicContact CD1-CG 4.49Å; L220-F238 HydrophobicContact CD2-CE2 3.82Å; L220-F238 HydrophobicContact CG-CE2 4.03Å; L220-F238 HydrophobicContact CG-CZ 4.33Å; L220-F238 WeakPolarHBondContact O-CZ 3.03Å; M222-F238 HydrophobicContact CB-CD1 4.4Å; M222-F238 HydrophobicContact CB-CE1 3.9Å; M222-F238 HydrophobicContact CB-CE2 4.29Å; M222-F238 HydrophobicContact CB-CZ 3.84Å; M222-F238 HydrophobicContact SD-CD1 4.36Å; M222-F238 HydrophobicContact SD-CG 4.31Å; M234-F238 VanDerWaalsContact O-CB 3.31Å; M234-F238 WeakPolarHBondContact O-CB 3.32Å; M234-F238 PolarHBondContact O-N 3.26Å; Q235-F238 PolarHBondContact O-N 3.12Å; P236-F238 VanDerWaalsContact C-N 3.32Å; P236-F238 PolarHBondContact O-N 3.27Å; F238-A241 PolarHBondContact O-N 3.05Å; F238-A242 WeakPolarHBondContact O-CB 3.48Å; F238-A242 PolarHBondContact O-N 2.9Å; F238-L251 HydrophobicContact CD1-CB 4.36Å; F238-L251 HydrophobicContact CD1-CD2 4.16Å; F238-L251 HydrophobicContact CD2-CD2 3.78Å; F238-L251 HydrophobicContact CE1-CB 3.69Å; F238-L251 HydrophobicContact CE1-CD2 4.03Å; F238-L251 HydrophobicContact CE1-CG 4.01Å; F238-L251 HydrophobicContact CE2-CB 4.49Å; F238-L251 HydrophobicContact CE2-CD2 3.62Å; F238-L251 HydrophobicContact CE2-CG 3.89Å; F238-L251 HydrophobicContact CG-CD2 4.05Å; F238-L251 HydrophobicContact CZ-CB 3.76Å; F238-L251 HydrophobicContact CZ-CD2 3.75Å; F238-L251 HydrophobicContact CZ-CG 3.6Å; F238-L251 WeakPolarHBondContact O-CD2 3.32Å; F238-A252 WeakPolarHBondContact CE1-O 3.37Å; F238-F276 HydrophobicContact CD2-CD1 4.3Å; F238-F276 AromaticContact CD2-CE1 3.68Å; F238-F276 HydrophobicContact CD2-CE1 3.68Å; F238-F276 AromaticContact CE2-CD1 3.81Å; F238-F276 HydrophobicContact CE2-CD1 3.81Å; F238-F276 AromaticContact CE2-CE1 3.65Å; F238-F276 HydrophobicContact CE2-CE1 3.65Å; F238-F276 HydrophobicContact CG-CE1 4.5Å; F238-F276 HydrophobicContact CZ-CD1 4.47Å; F238-F276 HydrophobicContact CZ-CE1 4.43Å; F238-I298 HydrophobicContact CD2-CD1 4.15Å
239	Q	95.4	Very high	93.2	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-46	173.2	-70.7	167.1	-21.1	0	0	111.9	W190 N193 A196 I199 Q235 P236 A242 T243	W190-Q239 VanDerWaalsContact CD1-NE2 3.34Å; W190-Q239 HydrophobicContact CZ2-CG 4.27Å; N193-Q239 PolarHBondContact ND2-NE2 3.17Å; A196-Q239 HydrophobicContact CB-CG 4.13Å; A196-Q239 VanDerWaalsContact CB-NE2 3.34Å; I199-Q239 HydrophobicContact CG1-CG 4.09Å; Q235-Q239 WeakPolarHBondContact O-CB 3.44Å; Q235-Q239 WeakPolarHBondContact O-CG 3.14Å; Q235-Q239 PolarHBondContact O-N 2.95Å; P236-Q239 PolarHBondContact O-N 2.8Å; Q239-A242 WeakPolarHBondContact O-CB 3.36Å; Q239-A242 PolarHBondContact O-N 3.17Å; Q239-T243 PolarHBondContact O-N 3.07Å; Q239-T243 PolarHBondContact O-OG1 2.7Å
240	Q	95.9	Very high	93.9	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-47.3	176.3	-178.5	-177.8	-7.3	0	0	110.9	P236 V237 A242 T243 E244 A295	P236-Q240 PolarHBondContact O-N 3.11Å; V237-Q240 PolarHBondContact O-N 2.77Å; Q240-A242 VanDerWaalsContact C-N 3.26Å; Q240-A242 PolarHBondContact O-N 2.9Å; Q240-T243 WeakPolarHBondContact O-CB 3.25Å; Q240-T243 PolarHBondContact O-N 2.94Å; Q240-T243 VanDerWaalsContact O-N 3.13Å; Q240-E244 HydrophobicContact CG-CG 4.48Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.44Å; Q240-E244 PolarHBondContact NE2-OE1 3.4Å; Q240-E244 WeakPolarHBondContact O-CG 3.5Å; Q240-E244 PolarHBondContact O-N 3.3Å; Q240-A295 HydrophobicContact CB-CB 3.77Å; Q240-A295 VanDerWaalsContact CD-CB 3.5Å; Q240-A295 HydrophobicContact CG-CB 3.6Å
241	A	96.3	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-37.9	176.7	0	0	0	0	0	112.3	V237 F238 T243 E244 T245 L251 A295 I298 T299	V237-A241 WeakPolarHBondContact O-CB 3.43Å; V237-A241 PolarHBondContact O-N 2.85Å; F238-A241 PolarHBondContact O-N 3.05Å; A241-T243 VanDerWaalsContact C-N 3.34Å; A241-E244 PolarHBondContact O-N 3Å; A241-T245 WeakPolarHBondContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CG2 3.2Å; A241-T245 PolarHBondContact O-N 3.48Å; A241-T245 PolarHBondContact O-OG1 3.37Å; A241-L251 HydrophobicContact CB-CD2 3.8Å; A241-A295 HydrophobicContact CB-CB 4.2Å; A241-I298 HydrophobicContact CB-CB 3.88Å; A241-I298 HydrophobicContact CB-CD1 4.2Å; A241-I298 HydrophobicContact CB-CG2 3.78Å; A241-T299 HydrophobicContact CB-CG2 3.94Å
242	A	96.9	Very high	94.8	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-39.3	177.9	0	0	0	0	0	112	D198 I199 F238 Q239 Q240 K246 L251	D198-A242 HydrophobicContact CB-CB 4.39Å; I199-A242 HydrophobicContact CD1-CB 3.33Å; I199-A242 HydrophobicContact CG1-CB 4.18Å; F238-A242 WeakPolarHBondContact O-CB 3.48Å; F238-A242 PolarHBondContact O-N 2.9Å; Q239-A242 WeakPolarHBondContact O-CB 3.36Å; Q239-A242 PolarHBondContact O-N 3.17Å; Q240-A242 VanDerWaalsContact C-N 3.26Å; Q240-A242 PolarHBondContact O-N 2.9Å; A242-K246 PolarHBondContact O-N 3.39Å; A242-L251 HydrophobicContact CB-CB 3.65Å; A242-L251 HydrophobicContact CB-CD2 3.95Å; A242-L251 HydrophobicContact CB-CG 4.32Å
243	T	96.1	Very high	95.2	Very high	67 Å²	67	46.9 Å²	46.9	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-46.6	175.3	-54.7	0	0	0	0	110.8	D198 Q239 Q240 A241 T245 K246	D198-T243 PolarHBondContact OD2-OG1 3.27Å; Q239-T243 PolarHBondContact O-N 3.07Å; Q239-T243 PolarHBondContact O-OG1 2.7Å; Q240-T243 WeakPolarHBondContact O-CB 3.25Å; Q240-T243 PolarHBondContact O-N 2.94Å; Q240-T243 VanDerWaalsContact O-N 3.13Å; A241-T243 VanDerWaalsContact C-N 3.34Å; T243-T245 VanDerWaalsContact C-N 3.31Å; T243-T245 PolarHBondContact O-N 3.23Å; T243-K246 WeakPolarHBondContact O-CB 3.43Å; T243-K246 PolarHBondContact O-N 3.06Å
244	E	95.3	Very high	95.5	Very high	100 Å²	100	38.9 Å²	38.9	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-30.8	-180	-72.8	176.7	-166	0	0	113.2	Q240 A241 T299	Q240-E244 HydrophobicContact CG-CG 4.48Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.44Å; Q240-E244 PolarHBondContact NE2-OE1 3.4Å; Q240-E244 WeakPolarHBondContact O-CG 3.5Å; Q240-E244 PolarHBondContact O-N 3.3Å; A241-E244 PolarHBondContact O-N 3Å; E244-T299 HydrophobicContact CB-CG2 3.86Å; E244-T299 VanDerWaalsContact OE2-CG2 3.31Å; E244-T299 WeakPolarHBondContact OE2-CG2 3.42Å
245	T	94.4	Very high	95.6	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.2	-178.6	56.1	0	0	0	0	114.2	A241 T243 G247 K248 F249 T299	A241-T245 WeakPolarHBondContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CG2 3.2Å; A241-T245 PolarHBondContact O-N 3.48Å; A241-T245 PolarHBondContact O-OG1 3.37Å; T243-T245 VanDerWaalsContact C-N 3.31Å; T243-T245 PolarHBondContact O-N 3.23Å; T245-G247 PolarHBondContact O-N 2.66Å; T245-K248 PolarHBondContact O-N 2.96Å; T245-F249 HydrophobicContact CG2-CD2 3.78Å; T245-F249 HydrophobicContact CG2-CE2 4.5Å; T245-F249 PolarHBondContact O-N 3.49Å; T245-F249 VanDerWaalsContact O-N 3.11Å; T245-T299 HydrophobicContact CG2-CG2 3.48Å; T245-T299 VanDerWaalsContact CG2-CG2 3.48Å
246	K	94.1	Very high	95.7	Very high	136 Å²	136	39.1 Å²	39.1	59%	0.591	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	130.5	-176.3	-173.4	176	-174.7	162.8	0	111.4	D198 A242 T243 K248	D198-K246 VanDerWaalsContact OD1-CD 3.31Å; D198-K246 WeakPolarHBondContact OD1-CD 3.4Å; D198-K246 WeakPolarHBondContact OD1-CE 3.47Å; D198-K246 IonicContact OD1-NZ 2.66Å; D198-K246 PolarHBondContact OD1-NZ 2.95Å; A242-K246 PolarHBondContact O-N 3.39Å; T243-K246 WeakPolarHBondContact O-CB 3.43Å; T243-K246 PolarHBondContact O-N 3.06Å; K246-K248 VanDerWaalsContact C-N 3.27Å; K246-K248 PolarHBondContact O-N 3.41Å
247	G	92.1	Very high	95.6	Very high	47 Å²	47	40.1 Å²	40.1	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-27.2	-179.2	0	0	0	0	0	114.2	R217 T245	R217-G247 VanDerWaalsContact CD-O 3.25Å; R217-G247 WeakPolarHBondContact CD-O 3.42Å; T245-G247 PolarHBondContact O-N 2.66Å
248	K	94.9	Very high	95.5	Very high	157 Å²	157	40.8 Å²	40.8	68%	0.683	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-43.7	178.6	-63.5	-179.4	-179.4	176.8	0	112.6	T245 K246	T245-K248 PolarHBondContact O-N 2.96Å; K246-K248 VanDerWaalsContact C-N 3.27Å; K246-K248 PolarHBondContact O-N 3.41Å
249	F	96.3	Very high	95.1	Very high	34 Å²	34	44.2 Å²	44.2	15%	0.149	24%	0.238	C	C	.	.			trans	-128.3	162.9	-179.7	-55.4	-64.1	0	0	0	110.5	P218 T245 L251 M302 K303	P218-F249 HydrophobicContact CB-CD1 3.9Å; P218-F249 HydrophobicContact CB-CE1 4.32Å; P218-F249 HydrophobicContact CG-CD1 3.88Å; P218-F249 HydrophobicContact CG-CE1 3.96Å; T245-F249 HydrophobicContact CG2-CD2 3.78Å; T245-F249 HydrophobicContact CG2-CE2 4.5Å; T245-F249 PolarHBondContact O-N 3.49Å; T245-F249 VanDerWaalsContact O-N 3.11Å; F249-L251 HydrophobicContact CB-CD1 4.44Å; F249-M302 HydrophobicContact CB-CE 3.53Å; F249-M302 HydrophobicContact CD1-CE 3.76Å; F249-M302 HydrophobicContact CD2-CB 3.78Å; F249-M302 HydrophobicContact CD2-CE 4.37Å; F249-M302 VanDerWaalsContact CE1-O 3.32Å; F249-M302 WeakPolarHBondContact CE1-O 3.33Å; F249-M302 HydrophobicContact CE2-CB 3.82Å; F249-M302 HydrophobicContact CG-CB 4.19Å; F249-M302 HydrophobicContact CG-CE 3.63Å; F249-M302 HydrophobicContact CZ-CB 4.24Å; F249-M302 WeakPolarHBondContact CZ-O 3.47Å; F249-K303 HydrophobicContact CE2-CG 4.45Å
250	V	97.4	Very high	95	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.9	174.3	174.2	0	0	0	0	109.2	V200 E215 R217 P218 I219 L220	V200-V250 HydrophobicContact CB-CG1 4.33Å; V200-V250 HydrophobicContact CG2-CG1 3.74Å; E215-V250 HydrophobicContact CG-CB 4.34Å; E215-V250 HydrophobicContact CG-CG2 3.75Å; E215-V250 WeakPolarHBondContact OE2-CG2 3.37Å; R217-V250 HydrophobicContact CB-CG2 4.35Å; P218-V250 PolarHBondContact O-N 3.13Å; I219-V250 CarbonylContact C-O 3.54Å; I219-V250 WeakPolarHBondContact CA-O 3.48Å; I219-V250 HydrophobicContact CG1-CB 3.93Å; I219-V250 HydrophobicContact CG1-CG1 4.18Å; I219-V250 HydrophobicContact CG2-CG1 4.39Å; L220-V250 PolarHBondContact N-O 3.34Å
251	L	97.9	Very high	95	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.1	170.2	-89.4	68.5	0	0	0	108.4	I199 V200 L220 F238 A241 A242 F249 I298 M302	I199-L251 HydrophobicContact CD1-CB 3.86Å; V200-L251 PolarHBondContact N-O 2.97Å; L220-L251 HydrophobicContact CB-CD1 4.31Å; L220-L251 HydrophobicContact CB-CG 4.25Å; L220-L251 WeakPolarHBondContact O-CA 3.42Å; F238-L251 HydrophobicContact CD1-CB 4.36Å; F238-L251 HydrophobicContact CD1-CD2 4.16Å; F238-L251 HydrophobicContact CD2-CD2 3.78Å; F238-L251 HydrophobicContact CE1-CB 3.69Å; F238-L251 HydrophobicContact CE1-CD2 4.03Å; F238-L251 HydrophobicContact CE1-CG 4.01Å; F238-L251 HydrophobicContact CE2-CB 4.49Å; F238-L251 HydrophobicContact CE2-CD2 3.62Å; F238-L251 HydrophobicContact CE2-CG 3.89Å; F238-L251 HydrophobicContact CG-CD2 4.05Å; F238-L251 HydrophobicContact CZ-CB 3.76Å; F238-L251 HydrophobicContact CZ-CD2 3.75Å; F238-L251 HydrophobicContact CZ-CG 3.6Å; F238-L251 WeakPolarHBondContact O-CD2 3.32Å; A241-L251 HydrophobicContact CB-CD2 3.8Å; A242-L251 HydrophobicContact CB-CB 3.65Å; A242-L251 HydrophobicContact CB-CD2 3.95Å; A242-L251 HydrophobicContact CB-CG 4.32Å; F249-L251 HydrophobicContact CB-CD1 4.44Å; L251-I298 HydrophobicContact CD2-CG2 4.27Å; L251-M302 HydrophobicContact CD1-CE 4.34Å
252	A	97.8	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.8	-173.4	0	0	0	0	0	111	V200 L211 I219 L220 M221 M222 F238	V200-A252 HydrophobicContact CB-CB 3.97Å; V200-A252 CarbonylContact O-C 3.59Å; V200-A252 WeakPolarHBondContact O-CA 3.04Å; V200-A252 WeakPolarHBondContact O-CB 3.41Å; L211-A252 HydrophobicContact CD2-CB 3.99Å; I219-A252 HydrophobicContact CG2-CB 4.2Å; L220-A252 PolarHBondContact O-N 3.42Å; M221-A252 CarbonylContact C-O 3.55Å; M221-A252 WeakPolarHBondContact CA-O 3.4Å; M221-A252 HydrophobicContact CE-CB 3.34Å; M221-A252 HydrophobicContact SD-CB 3.64Å; M222-A252 PolarHBondContact N-O 2.87Å; F238-A252 WeakPolarHBondContact CE1-O 3.37Å
253	G	97.3	Very high	94.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.4	-179	0	0	0	0	0	111.6	V200 V202 M222	V200-G253 PolarHBondContact O-N 2.85Å; V202-G253 PolarHBondContact N-O 3.37Å; M222-G253 WeakPolarHBondContact O-CA 3.32Å
254	M	96.7	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.6	177.5	-171.4	174.8	177.9	0	0	111.3	V202 F208 M221 M222 L223 Y224 V256 F261 L264	V202-M254 HydrophobicContact CB-CB 4.15Å; V202-M254 HydrophobicContact CB-CG 4.25Å; V202-M254 HydrophobicContact CB-SD 4.46Å; V202-M254 HydrophobicContact CG1-CG 4.24Å; V202-M254 HydrophobicContact CG1-SD 3.9Å; V202-M254 WeakPolarHBondContact O-CG 3.31Å; F208-M254 HydrophobicContact CB-SD 4.01Å; F208-M254 HydrophobicContact CD2-SD 4.13Å; F208-M254 HydrophobicContact CG-SD 4.21Å; M221-M254 HydrophobicContact SD-CB 4.03Å; M222-M254 PolarHBondContact O-N 3.15Å; L223-M254 WeakPolarHBondContact CA-O 3.42Å; L223-M254 HydrophobicContact CD2-CB 3.92Å; Y224-M254 VanDerWaalsContact CD1-C 3.49Å; Y224-M254 WeakPolarHBondContact CD1-O 3.17Å; Y224-M254 PolarHBondContact N-O 3.17Å; M254-V256 HydrophobicContact CB-CG1 4.33Å; M254-V256 HydrophobicContact CE-CG1 4.28Å; M254-V256 HydrophobicContact CG-CG1 3.83Å; M254-V256 PolarHBondContact O-N 2.95Å; M254-V256 HydrophobicContact SD-CG1 4.04Å; M254-F261 HydrophobicContact CE-CD1 3.48Å; M254-F261 VanDerWaalsContact CE-CD1 3.48Å; M254-F261 HydrophobicContact CE-CE1 3.17Å; M254-F261 HydrophobicContact CE-CE2 4.42Å; M254-F261 HydrophobicContact CE-CG 4.25Å; M254-F261 HydrophobicContact CE-CZ 3.7Å; M254-L264 HydrophobicContact CE-CD1 4.14Å; M254-L264 HydrophobicContact SD-CD1 4.15Å
255	N	94.1	Very high	94.7	Very high	46 Å²	46	44.8 Å²	44.8	25%	0.246	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	108.9	170.7	174.2	13.5	0	0	0	109.2	Y224 P226 H257 F261	Y224-N255 HydrophobicContact CE1-CB 4.33Å; Y224-N255 HydrophobicContact CE2-CB 4.11Å; Y224-N255 WeakPolarHBondContact O-CA 3.5Å; Y224-N255 PolarHBondContact O-OD1 3.26Å; P226-N255 WeakPolarHBondContact CD-OD1 3.43Å; P226-N255 WeakPolarHBondContact CG-ND2 3.16Å; N255-H257 VanDerWaalsContact OD1-CB 3.3Å; N255-H257 WeakPolarHBondContact OD1-CB 3.31Å; N255-H257 PolarHBondContact OD1-N 2.99Å; N255-H257 VanDerWaalsContact OD1-N 3.08Å; N255-F261 WeakPolarHBondContact O-CE2 3.39Å
256	V	95.6	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.			trans	-109.1	13.2	-179	-61.5	0	0	0	0	112.8	L223 Y224 M254 P258 F261 L264 K265 Y273	L223-V256 HydrophobicContact CB-CG1 4.39Å; L223-V256 HydrophobicContact CB-CG2 3.87Å; L223-V256 HydrophobicContact CD2-CG1 3.91Å; Y224-V256 PolarHBondContact O-N 3.43Å; M254-V256 HydrophobicContact CB-CG1 4.33Å; M254-V256 HydrophobicContact CE-CG1 4.28Å; M254-V256 HydrophobicContact CG-CG1 3.83Å; M254-V256 PolarHBondContact O-N 2.95Å; M254-V256 HydrophobicContact SD-CG1 4.04Å; V256-P258 VanDerWaalsContact C-CD 3.49Å; V256-F261 HydrophobicContact CB-CB 4.01Å; V256-F261 HydrophobicContact CB-CD2 4.44Å; V256-F261 HydrophobicContact CB-CG 4.37Å; V256-F261 HydrophobicContact CG1-CB 4.32Å; V256-F261 HydrophobicContact CG1-CG 4.39Å; V256-L264 HydrophobicContact CG1-CD2 4.03Å; V256-K265 HydrophobicContact CB-CD 4.49Å; V256-K265 HydrophobicContact CB-CG 4.35Å; V256-K265 HydrophobicContact CG2-CD 4.36Å; V256-K265 HydrophobicContact CG2-CG 4.27Å; V256-K265 WeakPolarHBondContact O-CD 3.48Å; V256-K265 PolarHBondContact O-NZ 2.88Å; V256-Y273 HydrophobicContact CG2-CD1 4.37Å; V256-Y273 HydrophobicContact CG2-CE1 3.61Å
257	H	92.3	Very high	94.6	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.407	28%	0.277	S	S	.	.			trans	-58.6	-42.8	175.6	176.7	45.1	0	0	0	113.4	A225 W227 N255	A225-H257 HydrophobicContact CB-CB 3.81Å; W227-H257 AromaticContact CD1-CD2 3.92Å; W227-H257 AromaticContact CD1-NE2 3.81Å; W227-H257 AromaticContact CE2-ND1 3.92Å; W227-H257 AromaticContact NE1-CD2 3.49Å; W227-H257 PolarHBondContact NE1-CD2 3.35Å; W227-H257 AromaticContact NE1-CE1 3.14Å; W227-H257 PolarHBondContact NE1-CE1 3.42Å; W227-H257 AromaticContact NE1-CG 3.42Å; W227-H257 AromaticContact NE1-ND1 3.19Å; W227-H257 PolarHBondContact NE1-ND1 3.18Å; W227-H257 VanDerWaalsContact NE1-ND1 3.19Å; W227-H257 AromaticContact NE1-NE2 3.29Å; W227-H257 PolarHBondContact NE1-NE2 2.87Å; N255-H257 VanDerWaalsContact OD1-CB 3.3Å; N255-H257 WeakPolarHBondContact OD1-CB 3.31Å; N255-H257 PolarHBondContact OD1-N 2.99Å; N255-H257 VanDerWaalsContact OD1-N 3.08Å
258	P	91.4	Very high	94.7	Very high	46 Å²	46	48.9 Å²	48.9	30%	0.299	26%	0.257	S	S	.	.	S	Bend	trans	-55.1	146.8	177.6	-27.4	37.2	0	0	0	113.5	V256 E260 F261 K265	V256-P258 VanDerWaalsContact C-CD 3.49Å; P258-E260 HydrophobicContact CB-CG 4.01Å; P258-E260 PolarHBondContact O-N 2.89Å; P258-F261 HydrophobicContact CB-CD2 3.97Å; P258-F261 HydrophobicContact CB-CE2 4.08Å; P258-F261 HydrophobicContact CG-CD2 4.23Å; P258-F261 HydrophobicContact CG-CE2 4.08Å; P258-F261 PolarHBondContact O-N 2.93Å; P258-K265 PolarHBondContact O-NZ 3.48Å
259	A	89.6	Confident	94.5	Very high	71 Å²	71	45.5 Å²	45.5	59%	0.587	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-64.8	-24.4	-177.9	0	0	0	0	0	113.4	F261 D262	A259-F261 PolarHBondContact O-N 3.29Å; A259-D262 WeakPolarHBondContact O-CB 3.1Å; A259-D262 PolarHBondContact O-N 3.36Å
260	E	92.9	Very high	94.3	Very high	143 Å²	143	44.9 Å²	44.9	67%	0.668	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-58.8	-20.3	175.5	68.4	-166.3	-172.9	0	0	113.3	P258	P258-E260 HydrophobicContact CB-CG 4.01Å; P258-E260 PolarHBondContact O-N 2.89Å
261	F	95.7	Very high	93.7	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.035	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-95.6	11.6	177.3	-56.2	-63.2	0	0	0	113.9	E203 E205 M254 N255 V256 P258 A259 G263 L264 K265	E203-F261 WeakPolarHBondContact O-CZ 3.14Å; E205-F261 HydrophobicContact CB-CE1 4.34Å; M254-F261 HydrophobicContact CE-CD1 3.48Å; M254-F261 VanDerWaalsContact CE-CD1 3.48Å; M254-F261 HydrophobicContact CE-CE1 3.17Å; M254-F261 HydrophobicContact CE-CE2 4.42Å; M254-F261 HydrophobicContact CE-CG 4.25Å; M254-F261 HydrophobicContact CE-CZ 3.7Å; N255-F261 WeakPolarHBondContact O-CE2 3.39Å; V256-F261 HydrophobicContact CB-CB 4.01Å; V256-F261 HydrophobicContact CB-CD2 4.44Å; V256-F261 HydrophobicContact CB-CG 4.37Å; V256-F261 HydrophobicContact CG1-CB 4.32Å; V256-F261 HydrophobicContact CG1-CG 4.39Å; P258-F261 HydrophobicContact CB-CD2 3.97Å; P258-F261 HydrophobicContact CB-CE2 4.08Å; P258-F261 HydrophobicContact CG-CD2 4.23Å; P258-F261 HydrophobicContact CG-CE2 4.08Å; P258-F261 PolarHBondContact O-N 2.93Å; A259-F261 PolarHBondContact O-N 3.29Å; F261-G263 VanDerWaalsContact C-N 3.29Å; F261-G263 PolarHBondContact O-N 2.69Å; F261-L264 PolarHBondContact O-N 3.48Å; F261-L264 VanDerWaalsContact O-N 3.16Å; F261-K265 WeakPolarHBondContact O-CE 2.96Å; F261-K265 WeakPolarHBondContact O-CG 3.22Å; F261-K265 PolarHBondContact O-N 2.97Å
262	D	92.2	Very high	93.1	Very high	74 Å²	74	54.6 Å²	54.6	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-40.3	179.1	-74	-9.6	0	0	0	112.4	A259 K265 Q266	A259-D262 WeakPolarHBondContact O-CB 3.1Å; A259-D262 PolarHBondContact O-N 3.36Å; D262-K265 VanDerWaalsContact CA-CE 3.47Å; D262-K265 PolarHBondContact O-N 2.69Å; D262-K265 WeakPolarHBondContact OD1-CE 3.12Å; D262-K265 IonicContact OD1-NZ 2.98Å; D262-K265 PolarHBondContact OD1-NZ 3.38Å; D262-Q266 WeakPolarHBondContact O-CG 3.38Å; D262-Q266 PolarHBondContact O-N 2.05Å
263	G	95.2	Very high	92.8	Very high	45 Å²	45	57.3 Å²	57.3	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-44.8	174.3	0	0	0	0	0	112.6	F261 K265 Q266 E267	F261-G263 VanDerWaalsContact C-N 3.29Å; F261-G263 PolarHBondContact O-N 2.69Å; G263-K265 PolarHBondContact O-N 3.03Å; G263-Q266 PolarHBondContact O-N 3.41Å; G263-E267 WeakPolarHBondContact O-CB 3.09Å; G263-E267 PolarHBondContact O-N 3.42Å
264	L	95.4	Very high	92.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-40.5	176.4	-174	153.1	0	0	0	111.6	E205 F208 L223 M254 V256 F261 Q266 E267 Y268	E205-L264 HydrophobicContact CG-CD1 4.3Å; F208-L264 HydrophobicContact CD1-CD1 3.72Å; F208-L264 HydrophobicContact CE1-CD1 3.93Å; F208-L264 HydrophobicContact CG-CD1 4.12Å; F208-L264 HydrophobicContact CZ-CD1 4.5Å; L223-L264 HydrophobicContact CD1-CD2 3.9Å; L223-L264 HydrophobicContact CD2-CD2 4.38Å; M254-L264 HydrophobicContact CE-CD1 4.14Å; M254-L264 HydrophobicContact SD-CD1 4.15Å; V256-L264 HydrophobicContact CG1-CD2 4.03Å; F261-L264 PolarHBondContact O-N 3.48Å; F261-L264 VanDerWaalsContact O-N 3.16Å; L264-Q266 VanDerWaalsContact C-N 3.32Å; L264-Q266 PolarHBondContact O-N 3.22Å; L264-E267 PolarHBondContact O-N 3.1Å; L264-Y268 HydrophobicContact CD2-CD2 3.96Å; L264-Y268 HydrophobicContact CG-CD2 3.87Å; L264-Y268 HydrophobicContact CG-CE2 4.01Å; L264-Y268 WeakPolarHBondContact O-CD2 3.49Å; L264-Y268 PolarHBondContact O-N 3.29Å
265	K	94.6	Very high	92.5	Very high	27 Å²	27	57.9 Å²	57.9	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-39.9	176.4	-74	177.8	-64.2	-158.1	0	111.6	V256 P258 F261 D262 G263 N269 V270 Y273	V256-K265 HydrophobicContact CB-CD 4.49Å; V256-K265 HydrophobicContact CB-CG 4.35Å; V256-K265 HydrophobicContact CG2-CD 4.36Å; V256-K265 HydrophobicContact CG2-CG 4.27Å; V256-K265 WeakPolarHBondContact O-CD 3.48Å; V256-K265 PolarHBondContact O-NZ 2.88Å; P258-K265 PolarHBondContact O-NZ 3.48Å; F261-K265 WeakPolarHBondContact O-CE 2.96Å; F261-K265 WeakPolarHBondContact O-CG 3.22Å; F261-K265 PolarHBondContact O-N 2.97Å; D262-K265 VanDerWaalsContact CA-CE 3.47Å; D262-K265 PolarHBondContact O-N 2.69Å; D262-K265 WeakPolarHBondContact OD1-CE 3.12Å; D262-K265 IonicContact OD1-NZ 2.98Å; D262-K265 PolarHBondContact OD1-NZ 3.38Å; G263-K265 PolarHBondContact O-N 3.03Å; K265-N269 PolarHBondContact O-N 2.84Å; K265-N269 VanDerWaalsContact O-N 3.09Å; K265-V270 HydrophobicContact CB-CB 3.95Å; K265-V270 HydrophobicContact CB-CG2 4.4Å; K265-V270 HydrophobicContact CG-CB 3.98Å; K265-V270 HydrophobicContact CG-CG1 4.16Å; K265-V270 HydrophobicContact CG-CG2 4.34Å; K265-V270 PolarHBondContact O-N 3.46Å; K265-Y273 WeakPolarHBondContact CD-OH 3.12Å
266	Q	92.8	Very high	92.6	Very high	161 Å²	161	55.7 Å²	55.7	75%	0.752	30%	0.299	S	S	*	.	H	α-helix	trans	-68.7	-46.9	174.3	-69.5	174.6	7.9	0	0	111.8	D262 G263 L264 Y268 N269	D262-Q266 WeakPolarHBondContact O-CG 3.38Å; D262-Q266 PolarHBondContact O-N 2.05Å; G263-Q266 PolarHBondContact O-N 3.41Å; L264-Q266 VanDerWaalsContact C-N 3.32Å; L264-Q266 PolarHBondContact O-N 3.22Å; Q266-Y268 VanDerWaalsContact C-N 3.26Å; Q266-Y268 PolarHBondContact O-N 2.85Å; Q266-N269 PolarHBondContact O-N 3.45Å; Q266-N269 VanDerWaalsContact O-N 3.12Å
267	E	94.9	Very high	92.6	Very high	98 Å²	98	55.7 Å²	55.7	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-54.4	-42.1	-179.9	-172.8	-178.2	150.8	0	0	111.7	R209 G263 L264	R209-E267 IonicContact CZ-OE2 3.63Å; R209-E267 IonicContact NH1-OE1 2.68Å; R209-E267 IonicContact NH1-OE2 2.63Å; R209-E267 IonicContact NH2-OE2 3.91Å; R209-E267 PolarHBondContact NH2-OE2 2.89Å; G263-E267 WeakPolarHBondContact O-CB 3.09Å; G263-E267 PolarHBondContact O-N 3.42Å; L264-E267 PolarHBondContact O-N 3.1Å
268	Y	94.2	Very high	92.8	Very high	18 Å²	18	52 Å²	52	7%	0.071	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	21	-179.6	-58.2	-69.1	0	0	0	113.8	F208 L264 Q266 V270 F279 F284 H287	F208-Y268 AromaticContact CE1-CE2 3.53Å; F208-Y268 HydrophobicContact CE1-CE2 3.53Å; F208-Y268 AromaticContact CE1-CZ 3.84Å; F208-Y268 HydrophobicContact CZ-CD2 4.35Å; F208-Y268 AromaticContact CZ-CE2 3.66Å; F208-Y268 HydrophobicContact CZ-CE2 3.66Å; F208-Y268 AromaticContact CZ-CZ 3.89Å; L264-Y268 HydrophobicContact CD2-CD2 3.96Å; L264-Y268 HydrophobicContact CG-CD2 3.87Å; L264-Y268 HydrophobicContact CG-CE2 4.01Å; L264-Y268 WeakPolarHBondContact O-CD2 3.49Å; L264-Y268 PolarHBondContact O-N 3.29Å; Q266-Y268 VanDerWaalsContact C-N 3.26Å; Q266-Y268 PolarHBondContact O-N 2.85Å; Y268-V270 VanDerWaalsContact C-N 3.28Å; Y268-V270 PolarHBondContact O-N 2.9Å; Y268-V270 VanDerWaalsContact O-N 3.15Å; Y268-F279 HydrophobicContact CD1-CE1 4.21Å; Y268-F279 HydrophobicContact CD1-CZ 4.03Å; Y268-F279 AromaticContact CE1-CE1 3.54Å; Y268-F279 HydrophobicContact CE1-CE1 3.54Å; Y268-F279 AromaticContact CE1-CZ 3.75Å; Y268-F279 HydrophobicContact CE1-CZ 3.75Å; Y268-F279 AromaticContact CZ-CE1 3.94Å; Y268-F284 HydrophobicContact CD1-CB 4.09Å; Y268-F284 AromaticContact CD1-CD2 3.86Å; Y268-F284 HydrophobicContact CD1-CD2 3.86Å; Y268-F284 HydrophobicContact CD1-CE2 4.46Å; Y268-F284 AromaticContact CD1-CG 3.93Å; Y268-F284 HydrophobicContact CD1-CG 3.93Å; Y268-F284 HydrophobicContact CE1-CB 3.82Å; Y268-F284 HydrophobicContact CE1-CD2 4.36Å; Y268-F284 HydrophobicContact CE1-CG 4.18Å; Y268-H287 PolarHBondContact O-CE1 2.95Å; Y268-H287 PolarHBondContact O-NE2 3.15Å
269	N	90.8	Very high	93.1	Very high	87 Å²	87	50 Å²	50	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	43.3	173.3	-171.3	41	0	0	0	114.5	K265 Q266 K271	K265-N269 PolarHBondContact O-N 2.84Å; K265-N269 VanDerWaalsContact O-N 3.09Å; Q266-N269 PolarHBondContact O-N 3.45Å; Q266-N269 VanDerWaalsContact O-N 3.12Å; N269-K271 PolarHBondContact O-N 3.24Å; N269-K271 VanDerWaalsContact O-N 3.09Å; N269-K271 WeakPolarHBondContact OD1-CE 3.3Å
270	V	90.4	Very high	93.3	Very high	20 Å²	20	49.7 Å²	49.7	12%	0.121	26%	0.255	C	S	.	.			trans	-75.7	96.9	179.4	-178.6	0	0	0	0	109.4	L223 K265 Y268 Y273 T275	L223-V270 HydrophobicContact CD1-CG2 3.49Å; L223-V270 VanDerWaalsContact CD1-CG2 3.49Å; K265-V270 HydrophobicContact CB-CB 3.95Å; K265-V270 HydrophobicContact CB-CG2 4.4Å; K265-V270 HydrophobicContact CG-CB 3.98Å; K265-V270 HydrophobicContact CG-CG1 4.16Å; K265-V270 HydrophobicContact CG-CG2 4.34Å; K265-V270 PolarHBondContact O-N 3.46Å; Y268-V270 VanDerWaalsContact C-N 3.28Å; Y268-V270 PolarHBondContact O-N 2.9Å; Y268-V270 VanDerWaalsContact O-N 3.15Å; V270-Y273 HydrophobicContact CG1-CD1 4.31Å; V270-Y273 HydrophobicContact CG1-CE1 3.89Å; V270-T275 HydrophobicContact CG2-CG2 4.19Å
271	K	85.2	Confident	93.3	Very high	180 Å²	180	50.7 Å²	50.7	78%	0.783	26%	0.257	S	S	*	.			trans	-91.6	-11.7	179.2	-61.2	-174.6	-176	-176.7	0	113.9	N269	N269-K271 PolarHBondContact O-N 3.24Å; N269-K271 VanDerWaalsContact O-N 3.09Å; N269-K271 WeakPolarHBondContact OD1-CE 3.3Å
272	G	86.6	Confident	93	Very high	34 Å²	34	51.5 Å²	51.5	35%	0.351	27%	0.268	S	S	.	.	S	Bend	trans	-171.1	176.4	-176.1	0	0	0	0	0	112.2	T275	G272-T275 PolarHBondContact O-OG1 2.97Å
273	Y	89.9	Confident	93.1	Very high	56 Å²	56	54.6 Å²	54.6	22%	0.22	28%	0.278	C	S	.	.	S	Bend	trans	-120.9	139.8	-177.7	-54	-61.3	0	0	0	111.7	A225 W227 C228 C231 V256 K265 V270	A225-Y273 HydrophobicContact CB-CD1 4.45Å; A225-Y273 HydrophobicContact CB-CD2 3.65Å; A225-Y273 HydrophobicContact CB-CE2 3.91Å; A225-Y273 HydrophobicContact CB-CG 3.94Å; W227-Y273 AromaticContact CH2-CD2 3.81Å; W227-Y273 HydrophobicContact CH2-CD2 3.81Å; W227-Y273 HydrophobicContact CH2-CE2 4.08Å; W227-Y273 AromaticContact CZ2-CD2 3.96Å; W227-Y273 HydrophobicContact CZ2-CD2 3.96Å; W227-Y273 AromaticContact CZ2-CE2 3.87Å; W227-Y273 HydrophobicContact CZ2-CE2 3.87Å; C228-Y273 VanDerWaalsContact SG-C 3.54Å; C228-Y273 PolarHBondContact SG-O 3.03Å; C231-Y273 VanDerWaalsContact SG-CB 3.6Å; V256-Y273 HydrophobicContact CG2-CD1 4.37Å; V256-Y273 HydrophobicContact CG2-CE1 3.61Å; K265-Y273 WeakPolarHBondContact CD-OH 3.12Å; V270-Y273 HydrophobicContact CG1-CD1 4.31Å; V270-Y273 HydrophobicContact CG1-CE1 3.89Å
274	P	93.8	Very high	93.1	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.032	27%	0.271	C	S	.	.	S	Bend	cis	-72	156.7	-9.6	31.5	-32.6	0	0	0	110.8	M222 L223 V230 C231 M234 F276 Y291	M222-P274 HydrophobicContact CE-CB 4.2Å; M222-P274 HydrophobicContact CG-CB 4.12Å; L223-P274 WeakPolarHBondContact O-CA 3.44Å; V230-P274 HydrophobicContact CG1-CG 4.27Å; C231-P274 VanDerWaalsContact SG-CD 3.56Å; M234-P274 HydrophobicContact CG-CG 4.48Å; P274-F276 HydrophobicContact CB-CE2 4.11Å; P274-F276 HydrophobicContact CB-CZ 4.15Å; P274-F276 HydrophobicContact CG-CE2 3.77Å; P274-F276 HydrophobicContact CG-CZ 4Å; P274-Y291 HydrophobicContact CG-CD1 3.98Å; P274-Y291 HydrophobicContact CG-CE1 4.25Å; P274-Y291 WeakPolarHBondContact O-CE1 2.9Å
275	T	95.1	Very high	93.1	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.5	163.7	-70.4	0	0	0	0	107.8	L223 V270 G272	L223-T275 WeakPolarHBondContact CB-O 3.35Å; L223-T275 PolarHBondContact N-O 3.21Å; L223-T275 PolarHBondContact O-N 3.21Å; V270-T275 HydrophobicContact CG2-CG2 4.19Å; G272-T275 PolarHBondContact O-OG1 2.97Å
276	F	95.8	Very high	92.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	177.1	-61.1	-83.8	0	0	0	109.9	L220 M221 M222 M234 F238 P274 H287 Y288 Y291	L220-F276 HydrophobicContact CD1-CB 4.13Å; M221-F276 CarbonylContact O-C 3.6Å; M221-F276 VanDerWaalsContact O-CA 3.26Å; M221-F276 WeakPolarHBondContact O-CA 3.34Å; M222-F276 HydrophobicContact CB-CD1 3.79Å; M222-F276 HydrophobicContact CB-CE1 3.62Å; M222-F276 HydrophobicContact CG-CD1 4.06Å; M222-F276 HydrophobicContact CG-CE1 3.52Å; M222-F276 HydrophobicContact CG-CZ 4.13Å; M222-F276 HydrophobicContact SD-CE1 3.72Å; M222-F276 HydrophobicContact SD-CZ 4.05Å; M234-F276 HydrophobicContact CB-CZ 4.37Å; M234-F276 HydrophobicContact CE-CE2 4.19Å; M234-F276 HydrophobicContact CE-CZ 3.81Å; M234-F276 HydrophobicContact CG-CZ 4.44Å; F238-F276 HydrophobicContact CD2-CD1 4.3Å; F238-F276 AromaticContact CD2-CE1 3.68Å; F238-F276 HydrophobicContact CD2-CE1 3.68Å; F238-F276 AromaticContact CE2-CD1 3.81Å; F238-F276 HydrophobicContact CE2-CD1 3.81Å; F238-F276 AromaticContact CE2-CE1 3.65Å; F238-F276 HydrophobicContact CE2-CE1 3.65Å; F238-F276 HydrophobicContact CG-CE1 4.5Å; F238-F276 HydrophobicContact CZ-CD1 4.47Å; F238-F276 HydrophobicContact CZ-CE1 4.43Å; P274-F276 HydrophobicContact CB-CE2 4.11Å; P274-F276 HydrophobicContact CB-CZ 4.15Å; P274-F276 HydrophobicContact CG-CE2 3.77Å; P274-F276 HydrophobicContact CG-CZ 4Å; F276-H287 VanDerWaalsContact O-CA 3.24Å; F276-H287 WeakPolarHBondContact O-CA 3.49Å; F276-H287 PolarHBondContact O-ND1 2.94Å; F276-H287 VanDerWaalsContact O-ND1 3.16Å; F276-Y288 HydrophobicContact CB-CD1 4.13Å; F276-Y288 HydrophobicContact CB-CG 4.46Å; F276-Y288 AromaticContact CD2-CD1 3.88Å; F276-Y288 HydrophobicContact CD2-CD1 3.88Å; F276-Y288 HydrophobicContact CE2-CD1 4.45Å; F276-Y288 AromaticContact CG-CD1 3.98Å; F276-Y288 HydrophobicContact CG-CD1 3.98Å; F276-Y288 PolarHBondContact O-N 3.41Å; F276-Y288 VanDerWaalsContact O-N 3.17Å; F276-Y291 HydrophobicContact CD2-CD1 4.13Å; F276-Y291 AromaticContact CD2-CE1 3.78Å; F276-Y291 HydrophobicContact CD2-CE1 3.78Å; F276-Y291 AromaticContact CE2-CD1 3.78Å; F276-Y291 HydrophobicContact CE2-CD1 3.78Å; F276-Y291 AromaticContact CE2-CE1 3.88Å; F276-Y291 HydrophobicContact CE2-CE1 3.88Å
277	C	96.3	Very high	92.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.6	178.8	-64.7	0	0	0	0	109.5	M221 F279 F284 H287	M221-C277 HydrophobicContact CB-CB 4.4Å; M221-C277 PolarHBondContact N-O 2.89Å; M221-C277 PolarHBondContact O-N 3.19Å; C277-F279 HydrophobicContact CB-CD2 4.28Å; C277-F279 HydrophobicContact CB-CE2 3.38Å; C277-F279 HydrophobicContact CB-CZ 3.8Å; C277-F279 WeakPolarHBondContact O-CD2 3.49Å; C277-F279 WeakPolarHBondContact O-CE2 3.34Å; C277-F284 HydrophobicContact CB-CD2 4.08Å; C277-F284 HydrophobicContact CB-CE2 3.89Å; C277-H287 VanDerWaalsContact SG-CE1 3.57Å
278	Y	96.9	Very high	92.5	Very high	11 Å²	11	51.6 Å²	51.6	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.2	175.6	176.1	-112.3	0	0	0	110.7	P218 I219 E280 R285 H286 W301 M302 P305	P218-Y278 HydrophobicContact CB-CE2 3.5Å; P218-Y278 WeakPolarHBondContact CB-OH 3.4Å; I219-Y278 WeakPolarHBondContact O-CA 3.49Å; I219-Y278 WeakPolarHBondContact O-CD2 3.16Å; Y278-E280 HydrophobicContact CE1-CB 4.19Å; Y278-R285 HydrophobicContact CD1-CB 3.77Å; Y278-R285 HydrophobicContact CD1-CG 4.09Å; Y278-R285 HydrophobicContact CE1-CB 4.22Å; Y278-R285 HydrophobicContact CE1-CG 4.1Å; Y278-R285 PolarHBondContact O-N 2.81Å; Y278-H286 WeakPolarHBondContact CB-O 3.45Å; Y278-H286 PolarHBondContact N-O 3.35Å; Y278-W301 HydrophobicContact CD1-CH2 4.14Å; Y278-W301 HydrophobicContact CD2-CH2 4.2Å; Y278-W301 AromaticContact CD2-CZ3 3.95Å; Y278-W301 HydrophobicContact CD2-CZ3 3.95Å; Y278-W301 AromaticContact CG-CH2 3.72Å; Y278-W301 HydrophobicContact CG-CH2 3.72Å; Y278-W301 AromaticContact CG-CZ3 3.96Å; Y278-W301 HydrophobicContact CG-CZ3 3.96Å; Y278-M302 HydrophobicContact CD2-CE 4.3Å; Y278-M302 HydrophobicContact CD2-SD 3.99Å; Y278-M302 HydrophobicContact CE2-CE 4.08Å; Y278-M302 HydrophobicContact CE2-SD 4.09Å; Y278-P305 HydrophobicContact CD1-CB 3.98Å; Y278-P305 HydrophobicContact CD1-CG 4.29Å; Y278-P305 HydrophobicContact CE1-CB 3.72Å; Y278-P305 HydrophobicContact CE1-CG 3.51Å; Y278-P305 HydrophobicContact CE2-CB 4.35Å; Y278-P305 HydrophobicContact CE2-CG 4.18Å; Y278-P305 HydrophobicContact CG-CB 4.48Å; Y278-P305 VanDerWaalsContact CZ-CG 3.45Å; Y278-P305 WeakPolarHBondContact OH-CG 3.31Å
279	F	96.7	Very high	92	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.4	179.2	-59.1	-98.1	0	0	0	110.2	F208 L212 P218 I219 M221 Y268 C277 K283 F284	F208-F279 HydrophobicContact CE2-CE2 4.32Å; F208-F279 HydrophobicContact CE2-CZ 4.14Å; F208-F279 HydrophobicContact CZ-CE1 4.17Å; F208-F279 HydrophobicContact CZ-CE2 4.3Å; F208-F279 AromaticContact CZ-CZ 3.67Å; F208-F279 HydrophobicContact CZ-CZ 3.67Å; L212-F279 HydrophobicContact CD1-CD1 3.81Å; L212-F279 HydrophobicContact CD1-CE1 3.62Å; L212-F279 HydrophobicContact CD1-CZ 4.29Å; L212-F279 HydrophobicContact CD2-CB 3.85Å; L212-F279 HydrophobicContact CD2-CD1 3.47Å; L212-F279 VanDerWaalsContact CD2-CD1 3.47Å; L212-F279 HydrophobicContact CD2-CD2 3.86Å; L212-F279 HydrophobicContact CD2-CE1 3.94Å; L212-F279 HydrophobicContact CD2-CE2 4.28Å; L212-F279 HydrophobicContact CD2-CG 3.45Å; L212-F279 VanDerWaalsContact CD2-CG 3.45Å; L212-F279 HydrophobicContact CD2-CZ 4.34Å; L212-F279 HydrophobicContact CG-CD1 4.29Å; L212-F279 HydrophobicContact CG-CE1 4.45Å; P218-F279 CarbonylContact C-O 3.59Å; P218-F279 WeakPolarHBondContact CA-O 3.16Å; I219-F279 HydrophobicContact CB-CB 4.27Å; I219-F279 PolarHBondContact N-O 3Å; I219-F279 PolarHBondContact O-N 3.4Å; M221-F279 HydrophobicContact CB-CD2 4.29Å; M221-F279 HydrophobicContact CB-CE2 3.84Å; Y268-F279 HydrophobicContact CD1-CE1 4.21Å; Y268-F279 HydrophobicContact CD1-CZ 4.03Å; Y268-F279 AromaticContact CE1-CE1 3.54Å; Y268-F279 HydrophobicContact CE1-CE1 3.54Å; Y268-F279 AromaticContact CE1-CZ 3.75Å; Y268-F279 HydrophobicContact CE1-CZ 3.75Å; Y268-F279 AromaticContact CZ-CE1 3.94Å; C277-F279 HydrophobicContact CB-CD2 4.28Å; C277-F279 HydrophobicContact CB-CE2 3.38Å; C277-F279 HydrophobicContact CB-CZ 3.8Å; C277-F279 WeakPolarHBondContact O-CD2 3.49Å; C277-F279 WeakPolarHBondContact O-CE2 3.34Å; F279-K283 VanDerWaalsContact CA-O 3.26Å; F279-K283 WeakPolarHBondContact CA-O 3.22Å; F279-F284 HydrophobicContact CD1-CB 4.01Å; F279-F284 HydrophobicContact CE1-CB 3.73Å; F279-F284 HydrophobicContact CE1-CD2 4.2Å; F279-F284 HydrophobicContact CE1-CG 4.47Å; F279-F284 HydrophobicContact CZ-CB 4.5Å; F279-F284 HydrophobicContact CZ-CD2 4.16Å
280	E	94.4	Very high	91.6	Very high	66 Å²	66	53.9 Å²	53.9	31%	0.308	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.6	175.2	-169	-160.8	-158.5	0	0	108.1	Y278 G282 K283 R285	Y278-E280 HydrophobicContact CE1-CB 4.19Å; E280-G282 PolarHBondContact O-N 3.47Å; E280-K283 PolarHBondContact N-O 3.02Å; E280-K283 PolarHBondContact O-N 3.01Å; E280-R285 HydrophobicContact CB-CG 3.9Å; E280-R285 IonicContact OE2-CZ 2.93Å; E280-R285 IonicContact OE2-NE 2.71Å; E280-R285 PolarHBondContact OE2-NE 3.4Å; E280-R285 IonicContact OE2-NH2 3.13Å; E280-R285 PolarHBondContact OE2-NH2 2.93Å
281	K	91.6	Very high	91	Very high	163 Å²	163	57.3 Å²	57.3	71%	0.709	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41	-174.6	-58.6	176.1	-178.6	178.4	0	112.3	K283	K281-K283 PolarHBondContact O-N 2.96Å
282	G	90.1	Very high	90.6	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	3.3	-179.3	0	0	0	0	0	116	L212 E280	L212-G282 WeakPolarHBondContact O-CA 3.04Å; E280-G282 PolarHBondContact O-N 3.47Å
283	K	94.1	Very high	90.2	Very high	139 Å²	139	50.9 Å²	50.9	60%	0.604	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.7	178.2	-64.2	-175.5	-179.1	-176.3	0	110.2	F279 E280 K281 R285	F279-K283 VanDerWaalsContact CA-O 3.26Å; F279-K283 WeakPolarHBondContact CA-O 3.22Å; E280-K283 PolarHBondContact N-O 3.02Å; E280-K283 PolarHBondContact O-N 3.01Å; K281-K283 PolarHBondContact O-N 2.96Å; K283-R285 PolarHBondContact O-N 3.06Å
284	F	95.6	Very high	90.2	Very high	76 Å²	76	51.8 Å²	51.8	33%	0.333	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134.5	168.9	174.9	-104.9	0	0	0	109.8	Y268 C277 F279 H287	Y268-F284 HydrophobicContact CD1-CB 4.09Å; Y268-F284 AromaticContact CD1-CD2 3.86Å; Y268-F284 HydrophobicContact CD1-CD2 3.86Å; Y268-F284 HydrophobicContact CD1-CE2 4.46Å; Y268-F284 AromaticContact CD1-CG 3.93Å; Y268-F284 HydrophobicContact CD1-CG 3.93Å; Y268-F284 HydrophobicContact CE1-CB 3.82Å; Y268-F284 HydrophobicContact CE1-CD2 4.36Å; Y268-F284 HydrophobicContact CE1-CG 4.18Å; C277-F284 HydrophobicContact CB-CD2 4.08Å; C277-F284 HydrophobicContact CB-CE2 3.89Å; F279-F284 HydrophobicContact CD1-CB 4.01Å; F279-F284 HydrophobicContact CE1-CB 3.73Å; F279-F284 HydrophobicContact CE1-CD2 4.2Å; F279-F284 HydrophobicContact CE1-CG 4.47Å; F279-F284 HydrophobicContact CZ-CB 4.5Å; F279-F284 HydrophobicContact CZ-CD2 4.16Å; F284-H287 AromaticContact CE2-CE1 3.89Å; F284-H287 AromaticContact CZ-CD2 3.87Å; F284-H287 AromaticContact CZ-CE1 3.71Å; F284-H287 AromaticContact CZ-NE2 3.55Å
285	R	94.6	Very high	90.2	Very high	98 Å²	98	51.8 Å²	51.8	37%	0.37	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-67.7	177.4	-59.5	-54.9	-161.9	170.1	10.1	110.1	Y278 E280 K283	Y278-R285 HydrophobicContact CD1-CB 3.77Å; Y278-R285 HydrophobicContact CD1-CG 4.09Å; Y278-R285 HydrophobicContact CE1-CB 4.22Å; Y278-R285 HydrophobicContact CE1-CG 4.1Å; Y278-R285 PolarHBondContact O-N 2.81Å; E280-R285 HydrophobicContact CB-CG 3.9Å; E280-R285 IonicContact OE2-CZ 2.93Å; E280-R285 IonicContact OE2-NE 2.71Å; E280-R285 PolarHBondContact OE2-NE 3.4Å; E280-R285 IonicContact OE2-NH2 3.13Å; E280-R285 PolarHBondContact OE2-NH2 2.93Å; K283-R285 PolarHBondContact O-N 3.06Å
286	H	89	Confident	90	Very high	60 Å²	60	57.6 Å²	57.6	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.3	-166	-56.2	-48.5	0	0	0	111.4	Y278	Y278-H286 WeakPolarHBondContact CB-O 3.45Å; Y278-H286 PolarHBondContact N-O 3.35Å
287	H	91.8	Very high	89.7	Confident	28 Å²	28	60.8 Å²	60.8	13%	0.13	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	146.9	165	-67.6	-66.5	0	0	0	111.1	Y268 F276 C277 F284 E289	Y268-H287 PolarHBondContact O-CE1 2.95Å; Y268-H287 PolarHBondContact O-NE2 3.15Å; F276-H287 VanDerWaalsContact O-CA 3.24Å; F276-H287 WeakPolarHBondContact O-CA 3.49Å; F276-H287 PolarHBondContact O-ND1 2.94Å; F276-H287 VanDerWaalsContact O-ND1 3.16Å; C277-H287 VanDerWaalsContact SG-CE1 3.57Å; F284-H287 AromaticContact CE2-CE1 3.89Å; F284-H287 AromaticContact CZ-CD2 3.87Å; F284-H287 AromaticContact CZ-CE1 3.71Å; F284-H287 AromaticContact CZ-NE2 3.55Å; H287-E289 HydrophobicContact CB-CG 4.42Å
288	Y	89.9	Confident	89.6	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121	166.2	170.9	-99.3	0	0	0	109.1	F276 N290 I298 W301	F276-Y288 HydrophobicContact CB-CD1 4.13Å; F276-Y288 HydrophobicContact CB-CG 4.46Å; F276-Y288 AromaticContact CD2-CD1 3.88Å; F276-Y288 HydrophobicContact CD2-CD1 3.88Å; F276-Y288 HydrophobicContact CE2-CD1 4.45Å; F276-Y288 AromaticContact CG-CD1 3.98Å; F276-Y288 HydrophobicContact CG-CD1 3.98Å; F276-Y288 PolarHBondContact O-N 3.41Å; F276-Y288 VanDerWaalsContact O-N 3.17Å; Y288-N290 HydrophobicContact CE1-CB 4.14Å; Y288-N290 WeakPolarHBondContact CE1-O 3.49Å; Y288-N290 HydrophobicContact CE2-CB 4.01Å; Y288-N290 WeakPolarHBondContact OH-CB 3.44Å; Y288-I298 HydrophobicContact CE1-CG1 3.99Å; Y288-I298 WeakPolarHBondContact OH-CG1 3.41Å; Y288-W301 HydrophobicContact CD2-CB 4.32Å; Y288-W301 AromaticContact CD2-CD2 3.46Å; Y288-W301 HydrophobicContact CD2-CD2 3.46Å; Y288-W301 VanDerWaalsContact CD2-CD2 3.46Å; Y288-W301 AromaticContact CD2-CE2 3.75Å; Y288-W301 AromaticContact CD2-CE3 3.79Å; Y288-W301 HydrophobicContact CD2-CE3 3.79Å; Y288-W301 AromaticContact CD2-CG 3.69Å; Y288-W301 HydrophobicContact CD2-CG 3.69Å; Y288-W301 HydrophobicContact CD2-CZ2 4.31Å; Y288-W301 HydrophobicContact CD2-CZ3 4.34Å; Y288-W301 HydrophobicContact CE2-CB 3.89Å; Y288-W301 AromaticContact CE2-CD2 3.98Å; Y288-W301 HydrophobicContact CE2-CD2 3.98Å; Y288-W301 HydrophobicContact CE2-CE3 4.42Å; Y288-W301 AromaticContact CE2-CG 3.72Å; Y288-W301 HydrophobicContact CE2-CG 3.72Å; Y288-W301 HydrophobicContact CG-CD2 4.47Å; Y288-W301 HydrophobicContact CG-CE3 4.45Å
289	E	83.9	Confident	89.4	Confident	86 Å²	86	60.7 Å²	60.7	40%	0.402	31%	0.307	S	S	.	.			trans	-109.2	5.9	-168.1	-62.7	-166.1	171.6	0	0	115.1	H287 Y291 P308	H287-E289 HydrophobicContact CB-CG 4.42Å; E289-Y291 HydrophobicContact CB-CE2 4.31Å; E289-Y291 WeakPolarHBondContact O-CD2 3.48Å; E289-Y291 WeakPolarHBondContact O-CE2 3.43Å; E289-Y291 PolarHBondContact O-N 3.3Å; E289-Y291 VanDerWaalsContact O-N 3.17Å; E289-P308 HydrophobicContact CG-CB 4.12Å
290	N	81.9	Confident	89.3	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.364	32%	0.324	S	S	.	.			trans	-90.2	78.9	179.4	-177.1	13.7	0	0	0	112.1	Y288 G292 G293	Y288-N290 HydrophobicContact CE1-CB 4.14Å; Y288-N290 WeakPolarHBondContact CE1-O 3.49Å; Y288-N290 HydrophobicContact CE2-CB 4.01Å; Y288-N290 WeakPolarHBondContact OH-CB 3.44Å; N290-G292 PolarHBondContact O-N 3.13Å; N290-G292 PolarHBondContact OD1-N 3.32Å; N290-G293 WeakPolarHBondContact ND2-CA 3.31Å; N290-G293 PolarHBondContact O-N 3.32Å; N290-G293 PolarHBondContact OD1-N 3.22Å
291	Y	78.2	Confident	89.2	Confident	92 Å²	92	62.9 Å²	62.9	36%	0.361	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.2	-179.1	-56.1	-75.5	0	0	0	115.3	P274 F276 E289	P274-Y291 HydrophobicContact CG-CD1 3.98Å; P274-Y291 HydrophobicContact CG-CE1 4.25Å; P274-Y291 WeakPolarHBondContact O-CE1 2.9Å; F276-Y291 HydrophobicContact CD2-CD1 4.13Å; F276-Y291 AromaticContact CD2-CE1 3.78Å; F276-Y291 HydrophobicContact CD2-CE1 3.78Å; F276-Y291 AromaticContact CE2-CD1 3.78Å; F276-Y291 HydrophobicContact CE2-CD1 3.78Å; F276-Y291 AromaticContact CE2-CE1 3.88Å; F276-Y291 HydrophobicContact CE2-CE1 3.88Å; E289-Y291 HydrophobicContact CB-CE2 4.31Å; E289-Y291 WeakPolarHBondContact O-CD2 3.48Å; E289-Y291 WeakPolarHBondContact O-CE2 3.43Å; E289-Y291 PolarHBondContact O-N 3.3Å; E289-Y291 VanDerWaalsContact O-N 3.17Å
292	G	75.4	Confident	89.3	Confident	72 Å²	72	55.2 Å²	55.2	74%	0.742	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	4.8	174.9	0	0	0	0	0	113.4	N290	N290-G292 PolarHBondContact O-N 3.13Å; N290-G292 PolarHBondContact OD1-N 3.32Å
293	G	79.1	Confident	89.4	Confident	6 Å²	6	60.5 Å²	60.5	6%	0.062	30%	0.299	C	S	.	.			trans	-70.2	156.5	-177.1	0	0	0	0	0	112.9	V237 N290 D297	V237-G293 WeakPolarHBondContact CG1-O 3.1Å; N290-G293 WeakPolarHBondContact ND2-CA 3.31Å; N290-G293 PolarHBondContact O-N 3.32Å; N290-G293 PolarHBondContact OD1-N 3.22Å; G293-D297 WeakPolarHBondContact CA-OD2 3.35Å
294	T	90.4	Very high	89.2	Confident	76 Å²	76	58.8 Å²	58.8	47%	0.466	30%	0.297	S	S	.	.			trans	-80.7	171.5	170.8	66.5	0	0	0	0	111.4	K296 D297 I298	T294-K296 PolarHBondContact O-N 3.42Å; T294-D297 WeakPolarHBondContact CB-OD2 3.32Å; T294-D297 PolarHBondContact N-OD2 3.17Å; T294-D297 PolarHBondContact O-N 3.19Å; T294-D297 VanDerWaalsContact O-N 3.11Å; T294-D297 VanDerWaalsContact OG1-CG 3.25Å; T294-D297 PolarHBondContact OG1-N 2.89Å; T294-D297 PolarHBondContact OG1-OD2 2.95Å; T294-I298 PolarHBondContact O-N 3.15Å
295	A	92.7	Very high	88.9	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-40	175.5	0	0	0	0	0	110.5	V237 Q240 A241 D297 I298 T299	V237-A295 HydrophobicContact CG1-CB 4.3Å; V237-A295 WeakPolarHBondContact O-CB 3.36Å; Q240-A295 HydrophobicContact CB-CB 3.77Å; Q240-A295 VanDerWaalsContact CD-CB 3.5Å; Q240-A295 HydrophobicContact CG-CB 3.6Å; A241-A295 HydrophobicContact CB-CB 4.2Å; A295-D297 VanDerWaalsContact C-N 3.35Å; A295-D297 PolarHBondContact O-N 2.7Å; A295-I298 WeakPolarHBondContact O-CB 3.46Å; A295-I298 PolarHBondContact O-N 3.43Å; A295-T299 VanDerWaalsContact O-CG2 3.26Å; A295-T299 WeakPolarHBondContact O-CG2 3.48Å; A295-T299 PolarHBondContact O-N 3.08Å
296	K	91.3	Very high	88.3	Confident	131 Å²	131	56.6 Å²	56.6	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-59.6	-41.9	175.2	-172.6	-178.7	176.5	-170.3	0	112.5	T294 I298 T299 D300	T294-K296 PolarHBondContact O-N 3.42Å; K296-I298 VanDerWaalsContact C-N 3.28Å; K296-I298 PolarHBondContact O-N 2.95Å; K296-T299 WeakPolarHBondContact CA-OG1 3.4Å; K296-T299 PolarHBondContact O-N 3.33Å; K296-T299 PolarHBondContact O-OG1 3.32Å; K296-T299 VanDerWaalsContact O-OG1 3.06Å; K296-D300 WeakPolarHBondContact CE-OD2 3.41Å; K296-D300 WeakPolarHBondContact CG-OD2 3.46Å; K296-D300 WeakPolarHBondContact O-CB 3.37Å; K296-D300 PolarHBondContact O-N 3.2Å
297	D	90.6	Very high	87.8	Confident	67 Å²	67	56.6 Å²	56.6	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-40	177.9	-59.9	-48.2	0	0	0	111.3	G293 T294 A295 W301	G293-D297 WeakPolarHBondContact CA-OD2 3.35Å; T294-D297 WeakPolarHBondContact CB-OD2 3.32Å; T294-D297 PolarHBondContact N-OD2 3.17Å; T294-D297 PolarHBondContact O-N 3.19Å; T294-D297 VanDerWaalsContact O-N 3.11Å; T294-D297 VanDerWaalsContact OG1-CG 3.25Å; T294-D297 PolarHBondContact OG1-N 2.89Å; T294-D297 PolarHBondContact OG1-OD2 2.95Å; A295-D297 VanDerWaalsContact C-N 3.35Å; A295-D297 PolarHBondContact O-N 2.7Å; D297-W301 VanDerWaalsContact O-CB 3.22Å; D297-W301 WeakPolarHBondContact O-CB 3.43Å; D297-W301 PolarHBondContact O-N 3.19Å
298	I	93.7	Very high	86.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-47	174.1	-61.1	170	0	0	0	110.2	L220 M234 V237 F238 A241 L251 Y288 T294 A295 K296 W301 M302	L220-I298 HydrophobicContact CD2-CG2 3.76Å; M234-I298 HydrophobicContact CE-CD1 4.23Å; V237-I298 HydrophobicContact CG1-CD1 3.9Å; F238-I298 HydrophobicContact CD2-CD1 4.15Å; A241-I298 HydrophobicContact CB-CB 3.88Å; A241-I298 HydrophobicContact CB-CD1 4.2Å; A241-I298 HydrophobicContact CB-CG2 3.78Å; L251-I298 HydrophobicContact CD2-CG2 4.27Å; Y288-I298 HydrophobicContact CE1-CG1 3.99Å; Y288-I298 WeakPolarHBondContact OH-CG1 3.41Å; T294-I298 PolarHBondContact O-N 3.15Å; A295-I298 WeakPolarHBondContact O-CB 3.46Å; A295-I298 PolarHBondContact O-N 3.43Å; K296-I298 VanDerWaalsContact C-N 3.28Å; K296-I298 PolarHBondContact O-N 2.95Å; I298-W301 PolarHBondContact O-N 3.21Å; I298-M302 HydrophobicContact CG2-CG 4.34Å; I298-M302 WeakPolarHBondContact O-CB 3.26Å; I298-M302 WeakPolarHBondContact O-CG 3.35Å; I298-M302 PolarHBondContact O-N 3.11Å
299	T	93.1	Very high	85.5	Confident	9 Å²	9	64.9 Å²	64.9	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-37	-176.9	65.9	0	0	0	0	112.8	A241 E244 T245 A295 K296 K303	A241-T299 HydrophobicContact CB-CG2 3.94Å; E244-T299 HydrophobicContact CB-CG2 3.86Å; E244-T299 VanDerWaalsContact OE2-CG2 3.31Å; E244-T299 WeakPolarHBondContact OE2-CG2 3.42Å; T245-T299 HydrophobicContact CG2-CG2 3.48Å; T245-T299 VanDerWaalsContact CG2-CG2 3.48Å; A295-T299 VanDerWaalsContact O-CG2 3.26Å; A295-T299 WeakPolarHBondContact O-CG2 3.48Å; A295-T299 PolarHBondContact O-N 3.08Å; K296-T299 WeakPolarHBondContact CA-OG1 3.4Å; K296-T299 PolarHBondContact O-N 3.33Å; K296-T299 PolarHBondContact O-OG1 3.32Å; K296-T299 VanDerWaalsContact O-OG1 3.06Å; T299-K303 WeakPolarHBondContact O-CG 3.34Å; T299-K303 PolarHBondContact O-N 2.71Å
300	D	92.9	Very high	84.3	Confident	67 Å²	67	66.2 Å²	66.2	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-69.9	-41.7	175.5	-74	-21.5	0	0	0	111.2	K296 M302 K303	K296-D300 WeakPolarHBondContact CE-OD2 3.41Å; K296-D300 WeakPolarHBondContact CG-OD2 3.46Å; K296-D300 WeakPolarHBondContact O-CB 3.37Å; K296-D300 PolarHBondContact O-N 3.2Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 3.32Å; D300-K303 WeakPolarHBondContact O-CB 3.35Å; D300-K303 PolarHBondContact O-N 2.84Å; D300-K303 IonicContact OD1-NZ 2.93Å; D300-K303 PolarHBondContact OD1-NZ 3.39Å
301	W	93.3	Very high	83.1	Confident	47 Å²	47	71.3 Å²	71.3	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-41.2	173.3	-175	88.8	0	0	0	112.1	L220 Y278 Y288 D297 I298 K303 N304 P305	L220-W301 HydrophobicContact CD1-CZ3 4.09Å; Y278-W301 HydrophobicContact CD1-CH2 4.14Å; Y278-W301 HydrophobicContact CD2-CH2 4.2Å; Y278-W301 AromaticContact CD2-CZ3 3.95Å; Y278-W301 HydrophobicContact CD2-CZ3 3.95Å; Y278-W301 AromaticContact CG-CH2 3.72Å; Y278-W301 HydrophobicContact CG-CH2 3.72Å; Y278-W301 AromaticContact CG-CZ3 3.96Å; Y278-W301 HydrophobicContact CG-CZ3 3.96Å; Y288-W301 HydrophobicContact CD2-CB 4.32Å; Y288-W301 AromaticContact CD2-CD2 3.46Å; Y288-W301 HydrophobicContact CD2-CD2 3.46Å; Y288-W301 VanDerWaalsContact CD2-CD2 3.46Å; Y288-W301 AromaticContact CD2-CE2 3.75Å; Y288-W301 AromaticContact CD2-CE3 3.79Å; Y288-W301 HydrophobicContact CD2-CE3 3.79Å; Y288-W301 AromaticContact CD2-CG 3.69Å; Y288-W301 HydrophobicContact CD2-CG 3.69Å; Y288-W301 HydrophobicContact CD2-CZ2 4.31Å; Y288-W301 HydrophobicContact CD2-CZ3 4.34Å; Y288-W301 HydrophobicContact CE2-CB 3.89Å; Y288-W301 AromaticContact CE2-CD2 3.98Å; Y288-W301 HydrophobicContact CE2-CD2 3.98Å; Y288-W301 HydrophobicContact CE2-CE3 4.42Å; Y288-W301 AromaticContact CE2-CG 3.72Å; Y288-W301 HydrophobicContact CE2-CG 3.72Å; Y288-W301 HydrophobicContact CG-CD2 4.47Å; Y288-W301 HydrophobicContact CG-CE3 4.45Å; D297-W301 VanDerWaalsContact O-CB 3.22Å; D297-W301 WeakPolarHBondContact O-CB 3.43Å; D297-W301 PolarHBondContact O-N 3.19Å; I298-W301 PolarHBondContact O-N 3.21Å; W301-K303 PolarHBondContact O-N 3.26Å; W301-N304 CarbonylContact O-C 3.5Å; W301-N304 PolarHBondContact O-N 3.44Å; W301-P305 HydrophobicContact CD2-CB 4.28Å; W301-P305 HydrophobicContact CE3-CB 4.16Å; W301-P305 HydrophobicContact CH2-CB 3.63Å; W301-P305 HydrophobicContact CZ2-CB 3.77Å; W301-P305 HydrophobicContact CZ3-CB 3.83Å; W301-P305 VanDerWaalsContact O-CA 3.31Å; W301-P305 WeakPolarHBondContact O-CA 3.45Å
302	M	93.2	Very high	81.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-62.6	-25.7	178.3	-74.9	-65.3	-75.1	0	0	113.5	L220 F249 L251 Y278 I298 D300	L220-M302 HydrophobicContact CB-CE 3.85Å; L220-M302 HydrophobicContact CB-SD 3.69Å; L220-M302 HydrophobicContact CD1-SD 4.5Å; L220-M302 HydrophobicContact CD2-CG 4.34Å; L220-M302 HydrophobicContact CD2-SD 3.9Å; L220-M302 HydrophobicContact CG-SD 4.25Å; F249-M302 HydrophobicContact CB-CE 3.53Å; F249-M302 HydrophobicContact CD1-CE 3.76Å; F249-M302 HydrophobicContact CD2-CB 3.78Å; F249-M302 HydrophobicContact CD2-CE 4.37Å; F249-M302 VanDerWaalsContact CE1-O 3.32Å; F249-M302 WeakPolarHBondContact CE1-O 3.33Å; F249-M302 HydrophobicContact CE2-CB 3.82Å; F249-M302 HydrophobicContact CG-CB 4.19Å; F249-M302 HydrophobicContact CG-CE 3.63Å; F249-M302 HydrophobicContact CZ-CB 4.24Å; F249-M302 WeakPolarHBondContact CZ-O 3.47Å; L251-M302 HydrophobicContact CD1-CE 4.34Å; Y278-M302 HydrophobicContact CD2-CE 4.3Å; Y278-M302 HydrophobicContact CD2-SD 3.99Å; Y278-M302 HydrophobicContact CE2-CE 4.08Å; Y278-M302 HydrophobicContact CE2-SD 4.09Å; I298-M302 HydrophobicContact CG2-CG 4.34Å; I298-M302 WeakPolarHBondContact O-CB 3.26Å; I298-M302 WeakPolarHBondContact O-CG 3.35Å; I298-M302 PolarHBondContact O-N 3.11Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 3.32Å
303	K	92.7	Very high	80.8	Confident	137 Å²	137	74.2 Å²	74.2	60%	0.596	39%	0.393	S	S	*	.	H	α-helix	trans	-71.9	-30.2	174.4	-65.9	165.2	-164.3	161.4	0	112.5	F249 T299 D300 W301	F249-K303 HydrophobicContact CE2-CG 4.45Å; T299-K303 WeakPolarHBondContact O-CG 3.34Å; T299-K303 PolarHBondContact O-N 2.71Å; D300-K303 WeakPolarHBondContact O-CB 3.35Å; D300-K303 PolarHBondContact O-N 2.84Å; D300-K303 IonicContact OD1-NZ 2.93Å; D300-K303 PolarHBondContact OD1-NZ 3.39Å; W301-K303 PolarHBondContact O-N 3.26Å
304	N	90.7	Very high	80	Confident	103 Å²	103	79.7 Å²	79.7	55%	0.551	42%	0.417	S	S	*	.	S	Bend	trans	-143.4	73.3	179.5	-174.2	22.9	0	0	0	110.6	W301 Q306	W301-N304 CarbonylContact O-C 3.5Å; W301-N304 PolarHBondContact O-N 3.44Å; N304-Q306 PolarHBondContact O-N 3Å; N304-Q306 PolarHBondContact OD1-NE2 3.37Å
305	P	88.2	Confident	79.1	Confident	30 Å²	30	80.2 Å²	80.2	20%	0.195	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-72.8	116.9	-174.6	26.2	-29.9	0	0	0	109.5	Y278 W301	Y278-P305 HydrophobicContact CD1-CB 3.98Å; Y278-P305 HydrophobicContact CD1-CG 4.29Å; Y278-P305 HydrophobicContact CE1-CB 3.72Å; Y278-P305 HydrophobicContact CE1-CG 3.51Å; Y278-P305 HydrophobicContact CE2-CB 4.35Å; Y278-P305 HydrophobicContact CE2-CG 4.18Å; Y278-P305 HydrophobicContact CG-CB 4.48Å; Y278-P305 VanDerWaalsContact CZ-CG 3.45Å; Y278-P305 WeakPolarHBondContact OH-CG 3.31Å; W301-P305 HydrophobicContact CD2-CB 4.28Å; W301-P305 HydrophobicContact CE3-CB 4.16Å; W301-P305 HydrophobicContact CH2-CB 3.63Å; W301-P305 HydrophobicContact CZ2-CB 3.77Å; W301-P305 HydrophobicContact CZ3-CB 3.83Å; W301-P305 VanDerWaalsContact O-CA 3.31Å; W301-P305 WeakPolarHBondContact O-CA 3.45Å
306	Q	82.8	Confident	78.5	Confident	98 Å²	98	83.7 Å²	83.7	46%	0.458	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-103.3	148.3	177.2	-64.4	-61.8	-37.3	0	0	109.8	N304	N304-Q306 PolarHBondContact O-N 3Å; N304-Q306 PolarHBondContact OD1-NE2 3.37Å
307	P	78.6	Confident	78.3	Confident	60 Å²	60	78.1 Å²	78.1	39%	0.39	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-51.5	145.6	167.5	21.5	-31.1	0	0	0	109.5	Q309	P307-Q309 PolarHBondContact O-N 3.49Å
308	P	69.5	Low	78	Confident	45 Å²	45	77.7 Å²	77.7	29%	0.292	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-50	121.4	167.9	14.5	-23.6	0	0	0	106.5	E289	E289-P308 HydrophobicContact CG-CB 4.12Å
309	Q	63.5	Low	77.6	Confident	163 Å²	163	83.5 Å²	83.5	76%	0.762	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-54.9	136.1	177.2	-69.1	-163	-4.4	0	0	106.1	P307 K311	P307-Q309 PolarHBondContact O-N 3.49Å; Q309-K311 PolarHBondContact O-N 3.03Å
310	P	58.6	Low	77.2	Confident	114 Å²	114	85.3 Å²	85.3	74%	0.74	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-47.9	120.1	166.4	-16.4	27.1	0	0	0	104.4	V312	P310-V312 PolarHBondContact O-N 3.29Å
311	K	55.6	Low	76.7	Confident	174 Å²	174	90.6 Å²	90.6	76%	0.757	48%	0.479	S	S	*	.			trans	-56.2	104.3	169.1	-70.8	178.7	-176.7	174.4	0	102.7	Q309	Q309-K311 PolarHBondContact O-N 3.03Å
312	V	51.4	Low	76.4	Confident	114 Å²	114	89.5 Å²	89.5	69%	0.691	48%	0.479	S	S	*	.			trans	-47.8	124.4	170.4	-179.7	0	0	0	0	102.6	P310 E314	P310-V312 PolarHBondContact O-N 3.29Å; V312-E314 PolarHBondContact O-N 2.74Å
313	P	55.3	Low	76.2	Confident	112 Å²	112	91 Å²	91	73%	0.727	49%	0.489	S	S	*	.			trans	-45.1	112.2	177.1	-26.1	32.9	0	0	0	105.7	V315	P313-V315 PolarHBondContact O-N 2.58Å
314	E	61.8	Low	76.4	Confident	120 Å²	120	84.8 Å²	84.8	56%	0.561	46%	0.462	S	S	*	.			trans	-60.6	112.2	-174.8	-139.3	170.1	-171.8	0	0	102.9	V312 Q316 K355	V312-E314 PolarHBondContact O-N 2.74Å; E314-Q316 PolarHBondContact O-N 2.71Å; E314-K355 WeakPolarHBondContact OE1-CE 3.06Å; E314-K355 IonicContact OE1-NZ 2.75Å; E314-K355 PolarHBondContact OE1-NZ 3.13Å; E314-K355 WeakPolarHBondContact OE2-CE 3.16Å; E314-K355 IonicContact OE2-NZ 3.51Å; E314-K355 PolarHBondContact OE2-NZ 3.48Å
315	V	71.4	Confident	76.6	Confident	87 Å²	87	84.6 Å²	84.6	53%	0.527	46%	0.456	S	S	.	.			trans	-51.1	123	-178.6	177.5	0	0	0	0	105.1	P313 W317 E319 T320	P313-V315 PolarHBondContact O-N 2.58Å; V315-W317 PolarHBondContact O-N 3.39Å; V315-E319 HydrophobicContact CG1-CB 3.84Å; V315-T320 HydrophobicContact CB-CG2 4.26Å; V315-T320 HydrophobicContact CG1-CG2 3.74Å
316	Q	81	Confident	77	Confident	77 Å²	77	85.3 Å²	85.3	36%	0.36	46%	0.457	S	S	.	.			trans	-56.7	140.3	-174	-63.8	-172.5	64.4	0	0	107.1	E314 S318 E319 T320 I384	E314-Q316 PolarHBondContact O-N 2.71Å; Q316-S318 WeakPolarHBondContact CB-OG 3.43Å; Q316-S318 PolarHBondContact O-N 3.21Å; Q316-S318 VanDerWaalsContact O-N 3.13Å; Q316-E319 HydrophobicContact CB-CB 4.34Å; Q316-E319 HydrophobicContact CB-CG 3.95Å; Q316-E319 PolarHBondContact NE2-OE1 3.43Å; Q316-E319 WeakPolarHBondContact O-CA 3.48Å; Q316-E319 WeakPolarHBondContact O-CB 3.23Å; Q316-E319 PolarHBondContact O-N 3.24Å; Q316-T320 PolarHBondContact O-N 3.4Å; Q316-I384 VanDerWaalsContact OE1-CD1 3.24Å
317	W	86	Confident	77.7	Confident	14 Å²	14	81 Å²	81	5%	0.053	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33.3	-178.5	-175.6	12	0	0	0	110.9	V315 E319 T320 S322 V324 H326 M345 Y347 K358 Y361 E362 A379	V315-W317 PolarHBondContact O-N 3.39Å; W317-E319 PolarHBondContact O-N 3.23Å; W317-T320 PolarHBondContact O-N 2.87Å; W317-T320 VanDerWaalsContact O-N 3.13Å; W317-T320 PolarHBondContact O-OG1 3.23Å; W317-S322 PolarHBondContact NE1-OG 3.47Å; W317-V324 HydrophobicContact CH2-CG1 4.08Å; W317-V324 HydrophobicContact CZ2-CB 3.97Å; W317-V324 HydrophobicContact CZ2-CG1 3.96Å; W317-V324 HydrophobicContact CZ2-CG2 3.95Å; W317-H326 AromaticContact CD1-CE1 3.75Å; W317-H326 AromaticContact CD1-NE2 3.45Å; W317-H326 AromaticContact CD2-CE1 3.33Å; W317-H326 AromaticContact CD2-NE2 3.7Å; W317-H326 AromaticContact CE2-CE1 3.78Å; W317-H326 AromaticContact CE2-NE2 3.73Å; W317-H326 AromaticContact CE3-CE1 3.66Å; W317-H326 AromaticContact CG-CE1 3.36Å; W317-H326 AromaticContact CG-NE2 3.57Å; W317-H326 AromaticContact NE1-NE2 3.61Å; W317-H326 PolarHBondContact O-NE2 2.87Å; W317-M345 HydrophobicContact CH2-SD 4.04Å; W317-M345 HydrophobicContact CZ3-SD 3.96Å; W317-Y347 HydrophobicContact CE3-CD1 4.1Å; W317-Y347 HydrophobicContact CE3-CD2 4.31Å; W317-Y347 AromaticContact CE3-CE1 3.68Å; W317-Y347 HydrophobicContact CE3-CE1 3.68Å; W317-Y347 AromaticContact CE3-CE2 3.91Å; W317-Y347 HydrophobicContact CE3-CE2 3.91Å; W317-Y347 HydrophobicContact CE3-CG 4.41Å; W317-Y347 AromaticContact CE3-CZ 3.58Å; W317-Y347 HydrophobicContact CZ3-CD1 4Å; W317-Y347 AromaticContact CZ3-CE1 3.96Å; W317-Y347 HydrophobicContact CZ3-CE1 3.96Å; W317-Y347 HydrophobicContact CZ3-CG 4.4Å; W317-K358 HydrophobicContact CD2-CD 3.81Å; W317-K358 HydrophobicContact CD2-CG 4.18Å; W317-K358 HydrophobicContact CE3-CD 4.43Å; W317-K358 HydrophobicContact CG-CD 3.88Å; W317-K358 VanDerWaalsContact CG-NZ 3.27Å; W317-K358 HydrophobicContact CZ2-CG 4.01Å; W317-K358 VanDerWaalsContact NE1-CE 3.28Å; W317-Y361 AromaticContact CH2-CD1 3.91Å; W317-Y361 HydrophobicContact CH2-CD1 3.91Å; W317-Y361 HydrophobicContact CZ2-CD1 4.42Å; W317-E362 HydrophobicContact CZ2-CG 3.91Å; W317-E362 PolarHBondContact NE1-OE1 3.05Å; W317-A379 HydrophobicContact CE3-CB 4.1Å; W317-A379 HydrophobicContact CH2-CB 3.67Å; W317-A379 HydrophobicContact CZ3-CB 3.41Å; W317-A379 VanDerWaalsContact CZ3-CB 3.41Å
318	S	85.1	Confident	78.5	Confident	58 Å²	58	80.3 Å²	80.3	41%	0.406	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.1	171.3	48.7	0	0	0	0	115.8	Q316 H326	Q316-S318 WeakPolarHBondContact CB-OG 3.43Å; Q316-S318 PolarHBondContact O-N 3.21Å; Q316-S318 VanDerWaalsContact O-N 3.13Å; S318-H326 VanDerWaalsContact CA-CG 3.45Å; S318-H326 PolarHBondContact N-CE1 2.86Å
319	E	84.4	Confident	79.8	Confident	123 Å²	123	80.6 Å²	80.6	58%	0.575	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-98.3	-3.4	178.9	-65.1	168.7	-174.4	0	0	112.2	V315 Q316 W317	V315-E319 HydrophobicContact CG1-CB 3.84Å; Q316-E319 HydrophobicContact CB-CB 4.34Å; Q316-E319 HydrophobicContact CB-CG 3.95Å; Q316-E319 PolarHBondContact NE2-OE1 3.43Å; Q316-E319 WeakPolarHBondContact O-CA 3.48Å; Q316-E319 WeakPolarHBondContact O-CB 3.23Å; Q316-E319 PolarHBondContact O-N 3.24Å; W317-E319 PolarHBondContact O-N 3.23Å
320	T	84.3	Confident	81.3	Confident	47 Å²	47	80.4 Å²	80.4	29%	0.288	44%	0.435	S	S	.	.	S	Bend	trans	-93.2	146.5	174.6	59.3	0	0	0	0	111.1	V315 Q316 W317 S322	V315-T320 HydrophobicContact CB-CG2 4.26Å; V315-T320 HydrophobicContact CG1-CG2 3.74Å; Q316-T320 PolarHBondContact O-N 3.4Å; W317-T320 PolarHBondContact O-N 2.87Å; W317-T320 VanDerWaalsContact O-N 3.13Å; W317-T320 PolarHBondContact O-OG1 3.23Å; T320-S322 PolarHBondContact O-N 3.21Å; T320-S322 VanDerWaalsContact O-N 3.07Å
321	D	83.8	Confident	83.2	Confident	179 Å²	179	77.1 Å²	77.1	96%	0.957	42%	0.415	S	S	*	.			trans	-67	106.7	171.3	-167.2	16.9	0	0	0	108.8
322	S	86.4	Confident	85.1	Confident	23 Å²	23	68.9 Å²	68.9	16%	0.161	38%	0.379	C	S	.	.			trans	-139.7	140.7	-172.9	-171.2	0	0	0	0	109.9	W317 T320 V324 E362	W317-S322 PolarHBondContact NE1-OG 3.47Å; T320-S322 PolarHBondContact O-N 3.21Å; T320-S322 VanDerWaalsContact O-N 3.07Å; S322-V324 PolarHBondContact O-N 2.91Å; S322-V324 PolarHBondContact OG-N 3.22Å; S322-E362 WeakPolarHBondContact CB-OE1 3.41Å; S322-E362 WeakPolarHBondContact OG-CG 3.48Å; S322-E362 PolarHBondContact OG-OE1 3.29Å
323	P	89.9	Confident	87.3	Confident	34 Å²	34	67.3 Å²	67.3	22%	0.221	37%	0.367	C	S	.	.	S	Bend	trans	-69.4	-5.7	173.2	27.7	-34.7	0	0	0	113.8	E362 A365 E366	P323-E362 WeakPolarHBondContact CG-O 3.31Å; P323-A365 HydrophobicContact CB-CB 3.87Å; P323-A365 HydrophobicContact CG-CB 3.87Å; P323-E366 WeakPolarHBondContact CB-OE2 3.43Å; P323-E366 HydrophobicContact CG-CB 4.14Å; P323-E366 WeakPolarHBondContact CG-OE2 3.08Å
324	V	95.7	Very high	89.2	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.03	35%	0.351	C	S	.	.	S	Bend	trans	-88.5	130.8	178.7	178.7	0	0	0	0	110.2	W317 S322 H326 Y361 E362 A365 A379	W317-V324 HydrophobicContact CH2-CG1 4.08Å; W317-V324 HydrophobicContact CZ2-CB 3.97Å; W317-V324 HydrophobicContact CZ2-CG1 3.96Å; W317-V324 HydrophobicContact CZ2-CG2 3.95Å; S322-V324 PolarHBondContact O-N 2.91Å; S322-V324 PolarHBondContact OG-N 3.22Å; V324-H326 PolarHBondContact O-CD2 3.35Å; V324-H326 PolarHBondContact O-N 2.92Å; V324-Y361 HydrophobicContact CG1-CD1 4.1Å; V324-Y361 HydrophobicContact CG1-CE1 3.97Å; V324-Y361 HydrophobicContact CG2-CD1 3.84Å; V324-Y361 HydrophobicContact CG2-CE1 4.35Å; V324-E362 HydrophobicContact CG2-CG 4.11Å; V324-A365 HydrophobicContact CG2-CB 3.64Å; V324-A379 HydrophobicContact CG1-CB 3.8Å
325	F	95.6	Very high	90.9	Very high	99 Å²	99	59 Å²	59	43%	0.434	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.8	177.5	-67.7	-88.5	0	0	0	111.3	L327 F335 V376 L377 A378 A379	F325-L327 HydrophobicContact CB-CD2 4.33Å; F325-F335 HydrophobicContact CB-CE2 3.65Å; F325-F335 HydrophobicContact CB-CZ 3.61Å; F325-F335 AromaticContact CD1-CE2 3.62Å; F325-F335 HydrophobicContact CD1-CE2 3.62Å; F325-F335 HydrophobicContact CD1-CZ 4.19Å; F325-F335 HydrophobicContact CD2-CE2 4.02Å; F325-F335 AromaticContact CD2-CZ 3.73Å; F325-F335 HydrophobicContact CD2-CZ 3.73Å; F325-F335 HydrophobicContact CE1-CE2 4.24Å; F325-F335 HydrophobicContact CE2-CZ 4.44Å; F325-F335 AromaticContact CG-CE2 3.48Å; F325-F335 HydrophobicContact CG-CE2 3.48Å; F325-F335 VanDerWaalsContact CG-CE2 3.48Å; F325-F335 AromaticContact CG-CZ 3.57Å; F325-F335 HydrophobicContact CG-CZ 3.57Å; F325-V376 HydrophobicContact CD2-CG1 3.4Å; F325-V376 HydrophobicContact CE2-CG1 3.48Å; F325-V376 VanDerWaalsContact CE2-CG1 3.48Å; F325-L377 PolarHBondContact N-O 3.13Å; F325-L377 VanDerWaalsContact N-O 3.12Å; F325-A378 HydrophobicContact CB-CB 4.12Å; F325-A378 CarbonylContact O-C 3.45Å; F325-A378 WeakPolarHBondContact O-CA 3.48Å; F325-A378 WeakPolarHBondContact O-CB 3.36Å; F325-A379 PolarHBondContact O-N 2.94Å
326	H	96.5	Very high	92.1	Very high	45 Å²	45	55.1 Å²	55.1	21%	0.208	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.4	177.6	-76.8	-82.5	0	0	0	110.9	W317 S318 V324 A379	W317-H326 AromaticContact CD1-CE1 3.75Å; W317-H326 AromaticContact CD1-NE2 3.45Å; W317-H326 AromaticContact CD2-CE1 3.33Å; W317-H326 AromaticContact CD2-NE2 3.7Å; W317-H326 AromaticContact CE2-CE1 3.78Å; W317-H326 AromaticContact CE2-NE2 3.73Å; W317-H326 AromaticContact CE3-CE1 3.66Å; W317-H326 AromaticContact CG-CE1 3.36Å; W317-H326 AromaticContact CG-NE2 3.57Å; W317-H326 AromaticContact NE1-NE2 3.61Å; W317-H326 PolarHBondContact O-NE2 2.87Å; S318-H326 VanDerWaalsContact CA-CG 3.45Å; S318-H326 PolarHBondContact N-CE1 2.86Å; V324-H326 PolarHBondContact O-CD2 3.35Å; V324-H326 PolarHBondContact O-N 2.92Å; H326-A379 WeakPolarHBondContact CA-O 3.32Å
327	L	97	Very high	92.7	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	32%	0.323	C	S	.	.			trans	-96.2	147.8	-178.9	-40.4	176.9	0	0	0	110.9	F325 F332 F335 I344 A378 A379 V380	F325-L327 HydrophobicContact CB-CD2 4.33Å; L327-F332 HydrophobicContact CB-CD2 4.15Å; L327-F332 HydrophobicContact CD1-CD2 3.88Å; L327-F332 HydrophobicContact CD1-CE2 4.23Å; L327-F335 HydrophobicContact CD1-CB 4.3Å; L327-F335 HydrophobicContact CD1-CD1 3.76Å; L327-F335 HydrophobicContact CD1-CE1 4.38Å; L327-F335 HydrophobicContact CD1-CG 4.15Å; L327-F335 HydrophobicContact CD2-CB 3.71Å; L327-F335 HydrophobicContact CD2-CD1 3.72Å; L327-F335 HydrophobicContact CD2-CD2 3.62Å; L327-F335 HydrophobicContact CD2-CE1 4.22Å; L327-F335 HydrophobicContact CD2-CE2 4.13Å; L327-F335 HydrophobicContact CD2-CG 3.38Å; L327-F335 HydrophobicContact CD2-CZ 4.39Å; L327-F335 HydrophobicContact CG-CD1 4.37Å; L327-F335 HydrophobicContact CG-CG 4.41Å; L327-I344 HydrophobicContact CD1-CD1 3.93Å; L327-A378 HydrophobicContact CD1-CB 3.83Å; L327-A378 HydrophobicContact CD2-CB 4.38Å; L327-A378 HydrophobicContact CG-CB 3.94Å; L327-A379 PolarHBondContact N-O 2.95Å; L327-V380 HydrophobicContact CB-CG2 3.87Å; L327-V380 HydrophobicContact CG-CG2 4.49Å
328	T	96.6	Very high	93.1	Very high	47 Å²	47	62.2 Å²	62.2	29%	0.288	35%	0.354	S	S	.	.			trans	-115.8	172.4	178.8	66.2	0	0	0	0	109.3	D330 S331 F332 H385	T328-D330 PolarHBondContact O-N 3.47Å; T328-D330 PolarHBondContact OG1-N 3.35Å; T328-S331 PolarHBondContact N-OG 2.96Å; T328-S331 PolarHBondContact O-N 3.02Å; T328-S331 PolarHBondContact OG1-N 2.74Å; T328-S331 VanDerWaalsContact OG1-N 3.11Å; T328-S331 PolarHBondContact OG1-OG 2.63Å; T328-F332 WeakPolarHBondContact O-CB 3.31Å; T328-F332 PolarHBondContact O-N 2.77Å; T328-F332 VanDerWaalsContact O-N 3.13Å; T328-H385 VanDerWaalsContact CB-CE1 3.43Å; T328-H385 WeakPolarHBondContact CB-CE1 3.47Å
329	D	95.3	Very high	93.5	Very high	51 Å²	51	61.6 Å²	61.6	27%	0.273	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.2	173.4	-70.5	-42.2	0	0	0	112.4	H385 A387 V388	D329-H385 PolarHBondContact N-ND1 3.1Å; D329-H385 WeakPolarHBondContact OD1-CB 3.5Å; D329-H385 VanDerWaalsContact OD2-CA 3.23Å; D329-H385 WeakPolarHBondContact OD2-CA 3.39Å; D329-H385 IonicContact OD2-ND1 3.57Å; D329-A387 HydrophobicContact CB-CB 4.46Å; D329-A387 WeakPolarHBondContact OD1-CB 3.23Å; D329-A387 PolarHBondContact OD1-N 3.39Å; D329-V388 WeakPolarHBondContact OD1-CB 3.36Å; D329-V388 WeakPolarHBondContact OD1-CG2 3.18Å; D329-V388 PolarHBondContact OD1-N 3.04Å
330	D	96.4	Very high	93.9	Very high	158 Å²	158	59.3 Å²	59.3	85%	0.845	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-33.3	-177.6	-60.8	-35.9	0	0	0	113.3	T328	T328-D330 PolarHBondContact O-N 3.47Å; T328-D330 PolarHBondContact OG1-N 3.35Å
331	S	96.8	Very high	94.4	Very high	46 Å²	46	57.6 Å²	57.6	32%	0.322	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.8	-175.7	63.2	0	0	0	0	114.3	T328 F335	T328-S331 PolarHBondContact N-OG 2.96Å; T328-S331 PolarHBondContact O-N 3.02Å; T328-S331 PolarHBondContact OG1-N 2.74Å; T328-S331 VanDerWaalsContact OG1-N 3.11Å; T328-S331 PolarHBondContact OG1-OG 2.63Å; S331-F335 VanDerWaalsContact O-CB 3.31Å; S331-F335 WeakPolarHBondContact O-CB 3.46Å; S331-F335 PolarHBondContact O-N 3.34Å
332	F	97.3	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-54.2	-171.4	-168.1	-85.3	0	0	0	113.5	L327 T328 F335 L336 I344 F346 V380 V388 F392 F403	L327-F332 HydrophobicContact CB-CD2 4.15Å; L327-F332 HydrophobicContact CD1-CD2 3.88Å; L327-F332 HydrophobicContact CD1-CE2 4.23Å; T328-F332 WeakPolarHBondContact O-CB 3.31Å; T328-F332 PolarHBondContact O-N 2.77Å; T328-F332 VanDerWaalsContact O-N 3.13Å; F332-F335 PolarHBondContact O-N 3.46Å; F332-L336 HydrophobicContact CD1-CD1 3.86Å; F332-L336 HydrophobicContact CD1-CG 4.39Å; F332-L336 HydrophobicContact CE1-CD1 3.31Å; F332-L336 HydrophobicContact CE1-CG 4.14Å; F332-L336 HydrophobicContact CZ-CD1 4.04Å; F332-L336 PolarHBondContact O-N 2.84Å; F332-L336 VanDerWaalsContact O-N 3.13Å; F332-I344 HydrophobicContact CD2-CD1 4.46Å; F332-I344 HydrophobicContact CE1-CD1 4.45Å; F332-I344 HydrophobicContact CE2-CD1 3.52Å; F332-I344 HydrophobicContact CE2-CG2 4.36Å; F332-I344 HydrophobicContact CZ-CD1 3.51Å; F332-F346 HydrophobicContact CE2-CE1 4.06Å; F332-F346 HydrophobicContact CE2-CZ 4.08Å; F332-F346 HydrophobicContact CZ-CE1 4.44Å; F332-F346 HydrophobicContact CZ-CZ 4.12Å; F332-V380 HydrophobicContact CD2-CG2 3.99Å; F332-V380 HydrophobicContact CE2-CG2 3.98Å; F332-V388 HydrophobicContact CB-CG2 3.91Å; F332-V388 HydrophobicContact CD2-CG1 3.67Å; F332-V388 HydrophobicContact CD2-CG2 4Å; F332-V388 HydrophobicContact CE2-CG1 3.64Å; F332-V388 HydrophobicContact CG-CG1 4.29Å; F332-V388 HydrophobicContact CG-CG2 3.92Å; F332-V388 HydrophobicContact CZ-CG1 4.24Å; F332-F392 HydrophobicContact CD1-CE2 4.17Å; F332-F392 HydrophobicContact CE1-CD2 4.38Å; F332-F392 AromaticContact CE1-CE2 3.31Å; F332-F392 HydrophobicContact CE1-CE2 3.31Å; F332-F392 AromaticContact CE1-CZ 3.61Å; F332-F392 HydrophobicContact CE1-CZ 3.61Å; F332-F392 HydrophobicContact CE2-CE2 4.38Å; F332-F392 HydrophobicContact CZ-CD2 4.11Å; F332-F392 AromaticContact CZ-CE2 3.44Å; F332-F392 HydrophobicContact CZ-CE2 3.44Å; F332-F392 VanDerWaalsContact CZ-CE2 3.44Å; F332-F392 AromaticContact CZ-CZ 3.96Å; F332-F392 HydrophobicContact CZ-CZ 3.96Å; F332-F403 HydrophobicContact CE1-CE1 4.4Å; F332-F403 HydrophobicContact CE1-CZ 4.43Å; F332-F403 HydrophobicContact CZ-CE1 4.32Å; F332-F403 HydrophobicContact CZ-CE2 4.34Å; F332-F403 AromaticContact CZ-CZ 3.91Å; F332-F403 HydrophobicContact CZ-CZ 3.91Å
333	D	95.8	Very high	95.6	Very high	81 Å²	81	48 Å²	48	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-36.8	-175.4	-71.6	-53.2	0	0	0	112	L336 A337 R391	D333-L336 PolarHBondContact O-N 3.31Å; D333-A337 PolarHBondContact O-N 3.27Å; D333-A337 VanDerWaalsContact O-N 3.08Å; D333-R391 IonicContact OD1-CZ 3.55Å; D333-R391 IonicContact OD1-NH1 3.02Å; D333-R391 PolarHBondContact OD1-NH1 2.87Å; D333-R391 IonicContact OD1-NH2 2.72Å; D333-R391 PolarHBondContact OD1-NH2 2.75Å; D333-R391 IonicContact OD2-NH1 2.64Å; D333-R391 PolarHBondContact OD2-NH1 3.34Å
334	G	96.6	Very high	95.9	Very high	39 Å²	39	46.3 Å²	46.3	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-45.7	175.1	0	0	0	0	0	111.8	L336 A337 E338	G334-L336 VanDerWaalsContact C-N 3.35Å; G334-L336 PolarHBondContact O-N 2.84Å; G334-A337 WeakPolarHBondContact O-CB 3.5Å; G334-A337 PolarHBondContact O-N 3.42Å; G334-A337 VanDerWaalsContact O-N 3.12Å; G334-E338 PolarHBondContact O-N 3.31Å; G334-E338 VanDerWaalsContact O-N 3.15Å
335	F	96.6	Very high	96	Very high	20 Å²	20	46.1 Å²	46.1	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-43.2	177.5	-172.1	-92.4	0	0	0	112.3	F325 L327 S331 F332 A337 E338 H339 V342 V376 A378	F325-F335 HydrophobicContact CB-CE2 3.65Å; F325-F335 HydrophobicContact CB-CZ 3.61Å; F325-F335 AromaticContact CD1-CE2 3.62Å; F325-F335 HydrophobicContact CD1-CE2 3.62Å; F325-F335 HydrophobicContact CD1-CZ 4.19Å; F325-F335 HydrophobicContact CD2-CE2 4.02Å; F325-F335 AromaticContact CD2-CZ 3.73Å; F325-F335 HydrophobicContact CD2-CZ 3.73Å; F325-F335 HydrophobicContact CE1-CE2 4.24Å; F325-F335 HydrophobicContact CE2-CZ 4.44Å; F325-F335 AromaticContact CG-CE2 3.48Å; F325-F335 HydrophobicContact CG-CE2 3.48Å; F325-F335 VanDerWaalsContact CG-CE2 3.48Å; F325-F335 AromaticContact CG-CZ 3.57Å; F325-F335 HydrophobicContact CG-CZ 3.57Å; L327-F335 HydrophobicContact CD1-CB 4.3Å; L327-F335 HydrophobicContact CD1-CD1 3.76Å; L327-F335 HydrophobicContact CD1-CE1 4.38Å; L327-F335 HydrophobicContact CD1-CG 4.15Å; L327-F335 HydrophobicContact CD2-CB 3.71Å; L327-F335 HydrophobicContact CD2-CD1 3.72Å; L327-F335 HydrophobicContact CD2-CD2 3.62Å; L327-F335 HydrophobicContact CD2-CE1 4.22Å; L327-F335 HydrophobicContact CD2-CE2 4.13Å; L327-F335 HydrophobicContact CD2-CG 3.38Å; L327-F335 HydrophobicContact CD2-CZ 4.39Å; L327-F335 HydrophobicContact CG-CD1 4.37Å; L327-F335 HydrophobicContact CG-CG 4.41Å; S331-F335 VanDerWaalsContact O-CB 3.31Å; S331-F335 WeakPolarHBondContact O-CB 3.46Å; S331-F335 PolarHBondContact O-N 3.34Å; F332-F335 PolarHBondContact O-N 3.46Å; F335-A337 VanDerWaalsContact C-N 3.26Å; F335-A337 PolarHBondContact O-N 3.18Å; F335-E338 PolarHBondContact O-N 2.83Å; F335-H339 AromaticContact CD1-CD2 3.9Å; F335-H339 AromaticContact CD2-CD2 3.53Å; F335-H339 AromaticContact CD2-NE2 3.81Å; F335-H339 HydrophobicContact CE1-CB 4.31Å; F335-H339 AromaticContact CE1-CD2 3.7Å; F335-H339 AromaticContact CE2-CD2 3.31Å; F335-H339 WeakPolarHBondContact CE2-CD2 2.8Å; F335-H339 AromaticContact CE2-NE2 3.35Å; F335-H339 VanDerWaalsContact CE2-NE2 3.35Å; F335-H339 WeakPolarHBondContact CE2-NE2 3.49Å; F335-H339 AromaticContact CG-CD2 3.82Å; F335-H339 AromaticContact CZ-CD2 3.41Å; F335-H339 VanDerWaalsContact CZ-CD2 3.41Å; F335-H339 WeakPolarHBondContact CZ-CD2 3.38Å; F335-H339 AromaticContact CZ-NE2 3.73Å; F335-H339 PolarHBondContact O-CD2 3.34Å; F335-H339 VanDerWaalsContact O-CD2 3.29Å; F335-H339 PolarHBondContact O-N 3.14Å; F335-V342 HydrophobicContact CD1-CG1 4.33Å; F335-V342 HydrophobicContact CD1-CG2 4.36Å; F335-V342 HydrophobicContact CE1-CG1 3.77Å; F335-V342 HydrophobicContact CE1-CG2 3.98Å; F335-V376 HydrophobicContact CE1-CG1 4.4Å; F335-V376 HydrophobicContact CZ-CG1 3.82Å; F335-A378 HydrophobicContact CE1-CB 3.99Å; F335-A378 HydrophobicContact CZ-CB 4.38Å
336	L	96.3	Very high	96.1	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-25.1	176.7	-78.6	-170.7	0	0	0	114	F332 D333 G334 V342 I344 F403	F332-L336 HydrophobicContact CD1-CD1 3.86Å; F332-L336 HydrophobicContact CD1-CG 4.39Å; F332-L336 HydrophobicContact CE1-CD1 3.31Å; F332-L336 HydrophobicContact CE1-CG 4.14Å; F332-L336 HydrophobicContact CZ-CD1 4.04Å; F332-L336 PolarHBondContact O-N 2.84Å; F332-L336 VanDerWaalsContact O-N 3.13Å; D333-L336 PolarHBondContact O-N 3.31Å; G334-L336 VanDerWaalsContact C-N 3.35Å; G334-L336 PolarHBondContact O-N 2.84Å; L336-V342 HydrophobicContact CD2-CB 3.91Å; L336-V342 HydrophobicContact CD2-CG1 4.3Å; L336-V342 HydrophobicContact CD2-CG2 3.96Å; L336-I344 HydrophobicContact CD2-CD1 4.04Å; L336-F403 HydrophobicContact CD1-CD1 3.59Å; L336-F403 HydrophobicContact CD1-CE1 3.94Å; L336-F403 HydrophobicContact CD1-CG 4.09Å; L336-F403 HydrophobicContact CD2-CB 3.64Å; L336-F403 HydrophobicContact CD2-CD1 4.2Å; L336-F403 HydrophobicContact CD2-CD2 4.43Å; L336-F403 HydrophobicContact CD2-CG 3.85Å
337	A	94.6	Very high	96	Very high	88 Å²	88	39.9 Å²	39.9	73%	0.727	24%	0.237	S	C	*	.	H	α-helix	trans	-76.3	-33.5	174.5	0	0	0	0	0	112.2	D333 G334 F335	D333-A337 PolarHBondContact O-N 3.27Å; D333-A337 VanDerWaalsContact O-N 3.08Å; G334-A337 WeakPolarHBondContact O-CB 3.5Å; G334-A337 PolarHBondContact O-N 3.42Å; G334-A337 VanDerWaalsContact O-N 3.12Å; F335-A337 VanDerWaalsContact C-N 3.26Å; F335-A337 PolarHBondContact O-N 3.18Å
338	E	94.6	Very high	95.6	Very high	151 Å²	151	39.5 Å²	39.5	71%	0.706	24%	0.235	S	C	*	.	H	α-helix	trans	-80.8	-32.4	179.4	-69.1	179.2	-175.9	0	0	112.7	G334 F335	G334-E338 PolarHBondContact O-N 3.31Å; G334-E338 VanDerWaalsContact O-N 3.15Å; F335-E338 PolarHBondContact O-N 2.83Å
339	H	94	Very high	94.9	Very high	46 Å²	46	39.7 Å²	39.7	21%	0.213	24%	0.237	C	C	.	.			trans	-110.2	112.1	-175	-64.1	-75.8	0	0	0	111.8	F335 S341 V342	F335-H339 AromaticContact CD1-CD2 3.9Å; F335-H339 AromaticContact CD2-CD2 3.53Å; F335-H339 AromaticContact CD2-NE2 3.81Å; F335-H339 HydrophobicContact CE1-CB 4.31Å; F335-H339 AromaticContact CE1-CD2 3.7Å; F335-H339 AromaticContact CE2-CD2 3.31Å; F335-H339 WeakPolarHBondContact CE2-CD2 2.8Å; F335-H339 AromaticContact CE2-NE2 3.35Å; F335-H339 VanDerWaalsContact CE2-NE2 3.35Å; F335-H339 WeakPolarHBondContact CE2-NE2 3.49Å; F335-H339 AromaticContact CG-CD2 3.82Å; F335-H339 AromaticContact CZ-CD2 3.41Å; F335-H339 VanDerWaalsContact CZ-CD2 3.41Å; F335-H339 WeakPolarHBondContact CZ-CD2 3.38Å; F335-H339 AromaticContact CZ-NE2 3.73Å; F335-H339 PolarHBondContact O-CD2 3.34Å; F335-H339 VanDerWaalsContact O-CD2 3.29Å; F335-H339 PolarHBondContact O-N 3.14Å; H339-S341 VanDerWaalsContact C-N 3.32Å; H339-S341 PolarHBondContact O-N 3.12Å; H339-V342 HydrophobicContact CB-CG2 3.4Å; H339-V342 VanDerWaalsContact CB-CG2 3.4Å; H339-V342 WeakPolarHBondContact O-CG2 3.43Å
340	P	91.6	Very high	94.1	Very high	74 Å²	74	45.6 Å²	45.6	48%	0.481	26%	0.255	S	S	.	.	S	Bend	trans	-74.6	-17	-173.1	28.7	-35.5	0	0	0	114.3	E404 K405	P340-E404 CarbonylContact O-C 3.06Å; P340-E404 VanDerWaalsContact O-CA 3.31Å; P340-E404 WeakPolarHBondContact O-CA 3.47Å; P340-K405 PolarHBondContact O-N 2.91Å
341	S	95.1	Very high	93.4	Very high	11 Å²	11	38.6 Å²	38.6	8%	0.077	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	106.6	-179.7	-177.6	0	0	0	0	109.1	H339 G375 V376 Y402	H339-S341 VanDerWaalsContact C-N 3.32Å; H339-S341 PolarHBondContact O-N 3.12Å; S341-G375 WeakPolarHBondContact O-CA 3.35Å; S341-V376 PolarHBondContact O-N 2.96Å; S341-Y402 VanDerWaalsContact OG-CE2 3.26Å; S341-Y402 WeakPolarHBondContact OG-CE2 3.26Å; S341-Y402 PolarHBondContact OG-OH 2.77Å
342	V	97.1	Very high	92.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.1	-174.4	-172.7	0	0	0	0	110.4	F335 L336 H339 I344 V376 A378 Y402 F403	F335-V342 HydrophobicContact CD1-CG1 4.33Å; F335-V342 HydrophobicContact CD1-CG2 4.36Å; F335-V342 HydrophobicContact CE1-CG1 3.77Å; F335-V342 HydrophobicContact CE1-CG2 3.98Å; L336-V342 HydrophobicContact CD2-CB 3.91Å; L336-V342 HydrophobicContact CD2-CG1 4.3Å; L336-V342 HydrophobicContact CD2-CG2 3.96Å; H339-V342 HydrophobicContact CB-CG2 3.4Å; H339-V342 VanDerWaalsContact CB-CG2 3.4Å; H339-V342 WeakPolarHBondContact O-CG2 3.43Å; V342-I344 HydrophobicContact CG1-CD1 4.08Å; V342-I344 HydrophobicContact CG1-CG1 3.59Å; V342-V376 WeakPolarHBondContact CA-O 3.35Å; V342-A378 HydrophobicContact CG1-CB 4.08Å; V342-Y402 WeakPolarHBondContact O-CD2 3.29Å; V342-F403 HydrophobicContact CB-CB 4.42Å; V342-F403 PolarHBondContact N-O 2.9Å; V342-F403 PolarHBondContact O-N 3.39Å
343	L	97.3	Very high	91.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.9	166.3	-168.4	74.4	0	0	0	108.2	Y361 V376 L377 A378 V400 Y402 L412 L415 I421 Y424 L425	L343-Y361 HydrophobicContact CD2-CE2 4.1Å; L343-Y361 PolarHBondContact O-OH 3.02Å; L343-V376 PolarHBondContact N-O 3.11Å; L343-L377 HydrophobicContact CB-CD2 3.59Å; L343-L377 HydrophobicContact CD2-CD2 3.75Å; L343-L377 HydrophobicContact CG-CD2 4.2Å; L343-A378 PolarHBondContact O-N 3.13Å; L343-V400 HydrophobicContact CD1-CG1 3.58Å; L343-V400 HydrophobicContact CD2-CG1 3.95Å; L343-V400 HydrophobicContact CG-CG1 3.63Å; L343-Y402 HydrophobicContact CD1-CD2 4.3Å; L343-L412 HydrophobicContact CD1-CD1 3.66Å; L343-L415 HydrophobicContact CD1-CD2 4.11Å; L343-L415 HydrophobicContact CD2-CD2 3.73Å; L343-I421 HydrophobicContact CD2-CG2 3.83Å; L343-Y424 HydrophobicContact CD1-CD1 4.5Å; L343-Y424 HydrophobicContact CD1-CE1 4.44Å; L343-L425 HydrophobicContact CB-CD1 4.16Å; L343-L425 HydrophobicContact CB-CD2 4.19Å; L343-L425 HydrophobicContact CB-CG 4.47Å
344	I	97.9	Very high	91.6	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.9	-176.3	-53.2	-173.5	0	0	0	110.6	L327 F332 L336 V342 F346 A378 V380 V400 K401 F403	L327-I344 HydrophobicContact CD1-CD1 3.93Å; F332-I344 HydrophobicContact CD2-CD1 4.46Å; F332-I344 HydrophobicContact CE1-CD1 4.45Å; F332-I344 HydrophobicContact CE2-CD1 3.52Å; F332-I344 HydrophobicContact CE2-CG2 4.36Å; F332-I344 HydrophobicContact CZ-CD1 3.51Å; L336-I344 HydrophobicContact CD2-CD1 4.04Å; V342-I344 HydrophobicContact CG1-CD1 4.08Å; V342-I344 HydrophobicContact CG1-CG1 3.59Å; I344-F346 HydrophobicContact CB-CE2 3.92Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.2Å; I344-F346 HydrophobicContact CG2-CE1 4.2Å; I344-F346 HydrophobicContact CG2-CE2 3.73Å; I344-F346 HydrophobicContact CG2-CZ 3.75Å; I344-A378 CarbonylContact C-O 3.08Å; I344-A378 VanDerWaalsContact CA-O 3.3Å; I344-A378 WeakPolarHBondContact CA-O 3.43Å; I344-A378 HydrophobicContact CG1-CB 4.28Å; I344-V380 HydrophobicContact CG2-CG2 3.89Å; I344-V400 WeakPolarHBondContact O-CA 3.47Å; I344-K401 PolarHBondContact N-O 3.12Å; I344-K401 PolarHBondContact O-N 2.98Å; I344-F403 HydrophobicContact CB-CD2 4.37Å; I344-F403 HydrophobicContact CB-CE2 4.1Å; I344-F403 HydrophobicContact CD1-CD2 3.64Å; I344-F403 HydrophobicContact CD1-CE2 3.61Å; I344-F403 HydrophobicContact CD1-CG 4.42Å; I344-F403 HydrophobicContact CD1-CZ 4.36Å; I344-F403 HydrophobicContact CG1-CD2 3.8Å; I344-F403 HydrophobicContact CG1-CE2 3.91Å
345	M	97.3	Very high	91.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.3	169.5	-177.9	-177.3	176.2	0	0	110.7	W317 C354 M357 Y361 A378 A379 V380 P398	W317-M345 HydrophobicContact CH2-SD 4.04Å; W317-M345 HydrophobicContact CZ3-SD 3.96Å; M345-C354 HydrophobicContact CE-CB 3.78Å; M345-M357 HydrophobicContact CE-CB 4.13Å; M345-M357 HydrophobicContact CE-CG 4.26Å; M345-M357 HydrophobicContact CE-SD 4.07Å; M345-M357 HydrophobicContact SD-CE 4.2Å; M345-M357 HydrophobicContact SD-CG 4.45Å; M345-M357 HydrophobicContact SD-SD 4.21Å; M345-Y361 HydrophobicContact CB-CD1 4.47Å; M345-Y361 HydrophobicContact CB-CE1 3.89Å; M345-Y361 HydrophobicContact CB-CE2 4.23Å; M345-Y361 PolarHBondContact N-OH 3.27Å; M345-Y361 HydrophobicContact SD-CD1 4.39Å; M345-Y361 HydrophobicContact SD-CG 4.32Å; M345-A378 PolarHBondContact N-O 3.36Å; M345-A379 HydrophobicContact CB-CB 4.46Å; M345-A379 CarbonylContact O-C 3.56Å; M345-A379 VanDerWaalsContact O-CA 3.29Å; M345-A379 WeakPolarHBondContact O-CA 3.47Å; M345-V380 PolarHBondContact O-N 2.98Å; M345-P398 HydrophobicContact CE-CB 3.74Å; M345-P398 HydrophobicContact CE-CG 4.43Å; M345-P398 HydrophobicContact CG-CB 4.29Å
346	F	97.4	Very high	90.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.7	169.2	-57.6	-92.5	0	0	0	108.9	F332 I344 V380 T382 V388 F392 I394 P398 T399 K401 F403	F332-F346 HydrophobicContact CE2-CE1 4.06Å; F332-F346 HydrophobicContact CE2-CZ 4.08Å; F332-F346 HydrophobicContact CZ-CE1 4.44Å; F332-F346 HydrophobicContact CZ-CZ 4.12Å; I344-F346 HydrophobicContact CB-CE2 3.92Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.2Å; I344-F346 HydrophobicContact CG2-CE1 4.2Å; I344-F346 HydrophobicContact CG2-CE2 3.73Å; I344-F346 HydrophobicContact CG2-CZ 3.75Å; F346-V380 HydrophobicContact CD1-CB 4.09Å; F346-V380 HydrophobicContact CE1-CB 4.4Å; F346-V380 HydrophobicContact CE1-CG2 4.39Å; F346-T382 HydrophobicContact CB-CG2 3.96Å; F346-T382 HydrophobicContact CD1-CG2 3.68Å; F346-T382 HydrophobicContact CG-CG2 4.31Å; F346-V388 HydrophobicContact CD1-CG1 4.37Å; F346-V388 HydrophobicContact CE1-CG1 3.65Å; F346-F392 HydrophobicContact CE1-CD2 4.25Å; F346-F392 HydrophobicContact CZ-CB 4.49Å; F346-F392 HydrophobicContact CZ-CD2 4.2Å; F346-F392 HydrophobicContact CZ-CG 4.4Å; F346-I394 HydrophobicContact CB-CD1 4Å; F346-I394 HydrophobicContact CB-CG1 4.05Å; F346-I394 HydrophobicContact CB-CG2 4Å; F346-I394 HydrophobicContact CD1-CD1 4.03Å; F346-I394 HydrophobicContact CD1-CG1 3.86Å; F346-I394 HydrophobicContact CD2-CD1 3.79Å; F346-I394 HydrophobicContact CD2-CG1 4.48Å; F346-I394 HydrophobicContact CE1-CD1 4.48Å; F346-I394 HydrophobicContact CE1-CG1 4.46Å; F346-I394 HydrophobicContact CE2-CD1 4.29Å; F346-I394 HydrophobicContact CG-CD1 3.65Å; F346-I394 HydrophobicContact CG-CG1 3.86Å; F346-P398 WeakPolarHBondContact O-CA 3.46Å; F346-T399 WeakPolarHBondContact CD2-O 3.31Å; F346-T399 PolarHBondContact N-O 2.69Å; F346-T399 PolarHBondContact O-N 3.12Å; F346-K401 HydrophobicContact CD2-CD 4.35Å; F346-K401 HydrophobicContact CD2-CG 4.43Å; F346-K401 HydrophobicContact CE2-CB 3.98Å; F346-K401 HydrophobicContact CE2-CD 3.74Å; F346-K401 HydrophobicContact CE2-CG 3.99Å; F346-K401 HydrophobicContact CZ-CD 4.34Å; F346-F403 HydrophobicContact CE2-CE2 4.35Å; F346-F403 HydrophobicContact CZ-CE2 4.29Å; F346-F403 HydrophobicContact CZ-CZ 4.32Å
347	Y	94.6	Very high	90.6	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	170.4	-169.5	78.7	-81.3	0	0	0	113.1	W317 A379 V380 D381 T382	W317-Y347 HydrophobicContact CE3-CD1 4.1Å; W317-Y347 HydrophobicContact CE3-CD2 4.31Å; W317-Y347 AromaticContact CE3-CE1 3.68Å; W317-Y347 HydrophobicContact CE3-CE1 3.68Å; W317-Y347 AromaticContact CE3-CE2 3.91Å; W317-Y347 HydrophobicContact CE3-CE2 3.91Å; W317-Y347 HydrophobicContact CE3-CG 4.41Å; W317-Y347 AromaticContact CE3-CZ 3.58Å; W317-Y347 HydrophobicContact CZ3-CD1 4Å; W317-Y347 AromaticContact CZ3-CE1 3.96Å; W317-Y347 HydrophobicContact CZ3-CE1 3.96Å; W317-Y347 HydrophobicContact CZ3-CG 4.4Å; Y347-A379 HydrophobicContact CD1-CB 4.1Å; Y347-A379 HydrophobicContact CE1-CB 3.89Å; Y347-V380 VanDerWaalsContact CD1-C 3.49Å; Y347-V380 WeakPolarHBondContact CD1-O 3.42Å; Y347-V380 VanDerWaalsContact CE1-C 3.41Å; Y347-V380 PolarHBondContact N-O 2.93Å; Y347-D381 HydrophobicContact CE1-CB 4.03Å; Y347-D381 HydrophobicContact CE2-CB 4.25Å; Y347-T382 PolarHBondContact O-N 2.7Å
348	A	88.7	Confident	90.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.			trans	-131.5	138.3	168.9	0	0	0	0	0	109.2	W350 C351 T383 F397	A348-W350 HydrophobicContact CB-CD2 4.12Å; A348-W350 HydrophobicContact CB-CH2 4.29Å; A348-W350 HydrophobicContact CB-CZ2 3.71Å; A348-W350 PolarHBondContact O-N 2.83Å; A348-C351 HydrophobicContact CB-CB 4.25Å; A348-C351 VanDerWaalsContact O-CB 3.31Å; A348-C351 WeakPolarHBondContact O-CB 3.23Å; A348-C351 PolarHBondContact O-N 3.23Å; A348-T383 HydrophobicContact CB-CG2 3.46Å; A348-T383 VanDerWaalsContact CB-CG2 3.46Å; A348-F397 HydrophobicContact CB-CD1 4.37Å; A348-F397 HydrophobicContact CB-CD2 3.72Å; A348-F397 HydrophobicContact CB-CE1 4.49Å; A348-F397 HydrophobicContact CB-CE2 3.86Å; A348-F397 HydrophobicContact CB-CG 4Å; A348-F397 HydrophobicContact CB-CZ 4.25Å
349	P	81.9	Confident	90.5	Very high	51 Å²	51	44.6 Å²	44.6	33%	0.331	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.6	-171.5	22.8	-32.4	0	0	0	112.2	C351 K355 D381	P349-C351 VanDerWaalsContact C-N 3.32Å; P349-C351 PolarHBondContact O-N 3.27Å; P349-K355 WeakPolarHBondContact O-CE 3.17Å; P349-D381 VanDerWaalsContact CD-OD2 3.31Å; P349-D381 WeakPolarHBondContact CD-OD2 3.24Å
350	W	77.6	Confident	90.6	Very high	174 Å²	174	46.1 Å²	46.1	66%	0.659	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.2	177.1	49.6	-99.1	0	0	0	114.1	A348 G352 F397	A348-W350 HydrophobicContact CB-CD2 4.12Å; A348-W350 HydrophobicContact CB-CH2 4.29Å; A348-W350 HydrophobicContact CB-CZ2 3.71Å; A348-W350 PolarHBondContact O-N 2.83Å; W350-G352 PolarHBondContact O-N 3.19Å; W350-F397 AromaticContact CH2-CD2 3.96Å; W350-F397 HydrophobicContact CH2-CD2 3.96Å; W350-F397 HydrophobicContact CH2-CE2 4.17Å; W350-F397 HydrophobicContact CZ2-CD2 4.29Å; W350-F397 HydrophobicContact CZ2-CE2 4.14Å
351	C	83.1	Confident	90.9	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.074	21%	0.212	C	C	.	.			trans	-79.2	114.3	-175.3	178.2	0	0	0	0	111.7	A348 P349 H353 C354 K355 F397	A348-C351 HydrophobicContact CB-CB 4.25Å; A348-C351 VanDerWaalsContact O-CB 3.31Å; A348-C351 WeakPolarHBondContact O-CB 3.23Å; A348-C351 PolarHBondContact O-N 3.23Å; P349-C351 VanDerWaalsContact C-N 3.32Å; P349-C351 PolarHBondContact O-N 3.27Å; C351-H353 VanDerWaalsContact C-N 3.27Å; C351-H353 PolarHBondContact O-N 3.25Å; C351-C354 HydrophobicContact CB-CB 3.91Å; C351-C354 VanDerWaalsContact CB-SG 3.54Å; C351-C354 WeakPolarHBondContact O-CB 3.05Å; C351-C354 PolarHBondContact O-N 3.02Å; C351-C354 PolarHBondContact SG-SG 3.17Å; C351-K355 WeakPolarHBondContact O-CG 3.13Å; C351-K355 PolarHBondContact O-N 3.32Å; C351-F397 HydrophobicContact CB-CB 4.13Å
352	G	77.8	Confident	90.9	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-32.2	178.3	0	0	0	0	0	114.3	W350 K355 K356	W350-G352 PolarHBondContact O-N 3.19Å; G352-K355 PolarHBondContact O-N 3.22Å; G352-K356 PolarHBondContact O-N 3.26Å
353	H	82.3	Confident	90.8	Very high	122 Å²	122	48.8 Å²	48.8	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-69.5	-35.7	174.5	-64.9	-55.3	0	0	0	112.4	C351 K356 M357	C351-H353 VanDerWaalsContact C-N 3.27Å; C351-H353 PolarHBondContact O-N 3.25Å; H353-K356 PolarHBondContact O-N 2.95Å; H353-M357 WeakPolarHBondContact O-CB 3.43Å; H353-M357 PolarHBondContact O-N 3.09Å; H353-M357 VanDerWaalsContact O-N 3.12Å
354	C	90.9	Very high	90.7	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-45.7	173.2	-61.7	0	0	0	0	110.8	M345 C351 K356 M357 K358	M345-C354 HydrophobicContact CE-CB 3.78Å; C351-C354 HydrophobicContact CB-CB 3.91Å; C351-C354 VanDerWaalsContact CB-SG 3.54Å; C351-C354 WeakPolarHBondContact O-CB 3.05Å; C351-C354 PolarHBondContact O-N 3.02Å; C351-C354 PolarHBondContact SG-SG 3.17Å; C354-K356 VanDerWaalsContact C-N 3.25Å; C354-K356 PolarHBondContact O-N 3.27Å; C354-M357 PolarHBondContact O-N 3.16Å; C354-M357 VanDerWaalsContact O-N 3.08Å; C354-K358 PolarHBondContact O-N 3.45Å
355	K	87.5	Confident	90.6	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-57	-39.8	176.5	-65.6	-174.1	-176.1	-156.4	0	112.4	E314 P349 C351 G352 P359	E314-K355 WeakPolarHBondContact OE1-CE 3.06Å; E314-K355 IonicContact OE1-NZ 2.75Å; E314-K355 PolarHBondContact OE1-NZ 3.13Å; E314-K355 WeakPolarHBondContact OE2-CE 3.16Å; E314-K355 IonicContact OE2-NZ 3.51Å; E314-K355 PolarHBondContact OE2-NZ 3.48Å; P349-K355 WeakPolarHBondContact O-CE 3.17Å; C351-K355 WeakPolarHBondContact O-CG 3.13Å; C351-K355 PolarHBondContact O-N 3.32Å; G352-K355 PolarHBondContact O-N 3.22Å; K355-P359 WeakPolarHBondContact O-CD 3.22Å
356	K	87.9	Confident	90.5	Very high	170 Å²	170	52.8 Å²	52.8	74%	0.739	26%	0.26	S	S	*	.	H	α-helix	trans	-69.5	-35.7	177	-173.1	175.5	179.5	179.2	0	112.9	G352 H353 C354	G352-K356 PolarHBondContact O-N 3.26Å; H353-K356 PolarHBondContact O-N 2.95Å; C354-K356 VanDerWaalsContact C-N 3.25Å; C354-K356 PolarHBondContact O-N 3.27Å
357	M	93.5	Very high	90.3	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-81.4	-28.8	-177.9	-177.2	178.4	165.2	0	0	112.9	M345 H353 C354 E360 Y361 P398 V400 L415 R416 I421	M345-M357 HydrophobicContact CE-CB 4.13Å; M345-M357 HydrophobicContact CE-CG 4.26Å; M345-M357 HydrophobicContact CE-SD 4.07Å; M345-M357 HydrophobicContact SD-CE 4.2Å; M345-M357 HydrophobicContact SD-CG 4.45Å; M345-M357 HydrophobicContact SD-SD 4.21Å; H353-M357 WeakPolarHBondContact O-CB 3.43Å; H353-M357 PolarHBondContact O-N 3.09Å; H353-M357 VanDerWaalsContact O-N 3.12Å; C354-M357 PolarHBondContact O-N 3.16Å; C354-M357 VanDerWaalsContact O-N 3.08Å; M357-E360 WeakPolarHBondContact O-CB 3.27Å; M357-E360 PolarHBondContact O-N 3.02Å; M357-Y361 HydrophobicContact CE-CD2 3.48Å; M357-Y361 VanDerWaalsContact CE-CD2 3.48Å; M357-Y361 HydrophobicContact CE-CE2 3.86Å; M357-Y361 HydrophobicContact CE-CG 4.37Å; M357-Y361 PolarHBondContact O-N 3.49Å; M357-P398 HydrophobicContact SD-CB 4.14Å; M357-P398 HydrophobicContact SD-CG 3.83Å; M357-V400 HydrophobicContact CE-CG2 3.66Å; M357-V400 HydrophobicContact SD-CG2 4.29Å; M357-L415 WeakPolarHBondContact CE-O 3.47Å; M357-R416 HydrophobicContact CG-CB 4.41Å; M357-R416 HydrophobicContact SD-CB 4.17Å; M357-R416 HydrophobicContact SD-CG 3.9Å; M357-I421 HydrophobicContact CE-CD1 4.41Å
358	K	93.6	Very high	90.1	Very high	52 Å²	52	57.5 Å²	57.5	23%	0.226	28%	0.279	C	S	.	.	H	α-helix	trans	-45.4	-55.8	-179.3	174.5	173.3	166.8	167.3	0	113.9	W317 C354 E360 Y361 E362	W317-K358 HydrophobicContact CD2-CD 3.81Å; W317-K358 HydrophobicContact CD2-CG 4.18Å; W317-K358 HydrophobicContact CE3-CD 4.43Å; W317-K358 HydrophobicContact CG-CD 3.88Å; W317-K358 VanDerWaalsContact CG-NZ 3.27Å; W317-K358 HydrophobicContact CZ2-CG 4.01Å; W317-K358 VanDerWaalsContact NE1-CE 3.28Å; C354-K358 PolarHBondContact O-N 3.45Å; K358-E360 VanDerWaalsContact C-N 3.34Å; K358-E360 PolarHBondContact O-N 2.79Å; K358-Y361 WeakPolarHBondContact O-CB 3Å; K358-Y361 PolarHBondContact O-N 3.27Å; K358-Y361 VanDerWaalsContact O-N 3.08Å; K358-E362 WeakPolarHBondContact CE-OE1 3.46Å; K358-E362 WeakPolarHBondContact CE-OE2 3.4Å; K358-E362 HydrophobicContact CG-CG 4.36Å; K358-E362 WeakPolarHBondContact O-CG 3.31Å; K358-E362 PolarHBondContact O-N 3.25Å
359	P	94.4	Very high	90.1	Very high	61 Å²	61	64.2 Å²	64.2	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-177.7	23	-34	0	0	0	113	K355 Y361 E362 E363	K355-P359 WeakPolarHBondContact O-CD 3.22Å; P359-Y361 VanDerWaalsContact C-N 3.26Å; P359-Y361 PolarHBondContact O-N 2.91Å; P359-E362 PolarHBondContact O-N 2.79Å; P359-E363 WeakPolarHBondContact O-CG 3.33Å; P359-E363 PolarHBondContact O-N 3.32Å
360	E	96.1	Very high	90.5	Very high	77 Å²	77	67.6 Å²	67.6	36%	0.36	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-35.6	176.1	-63.5	-79.6	160.9	0	0	112.1	M357 K358 A364 K418	M357-E360 WeakPolarHBondContact O-CB 3.27Å; M357-E360 PolarHBondContact O-N 3.02Å; K358-E360 VanDerWaalsContact C-N 3.34Å; K358-E360 PolarHBondContact O-N 2.79Å; E360-A364 WeakPolarHBondContact O-CB 3.45Å; E360-A364 PolarHBondContact O-N 2.02Å; E360-K418 WeakPolarHBondContact OE2-CB 3.39Å; E360-K418 PolarHBondContact OE2-N 3.25Å
361	Y	96.7	Very high	90.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-74.1	-40.6	179.8	-154.1	-106.6	0	0	0	111.8	W317 V324 L343 M345 M357 K358 P359 A364 A365 L377 A378 I421	W317-Y361 AromaticContact CH2-CD1 3.91Å; W317-Y361 HydrophobicContact CH2-CD1 3.91Å; W317-Y361 HydrophobicContact CZ2-CD1 4.42Å; V324-Y361 HydrophobicContact CG1-CD1 4.1Å; V324-Y361 HydrophobicContact CG1-CE1 3.97Å; V324-Y361 HydrophobicContact CG2-CD1 3.84Å; V324-Y361 HydrophobicContact CG2-CE1 4.35Å; L343-Y361 HydrophobicContact CD2-CE2 4.1Å; L343-Y361 PolarHBondContact O-OH 3.02Å; M345-Y361 HydrophobicContact CB-CD1 4.47Å; M345-Y361 HydrophobicContact CB-CE1 3.89Å; M345-Y361 HydrophobicContact CB-CE2 4.23Å; M345-Y361 PolarHBondContact N-OH 3.27Å; M345-Y361 HydrophobicContact SD-CD1 4.39Å; M345-Y361 HydrophobicContact SD-CG 4.32Å; M357-Y361 HydrophobicContact CE-CD2 3.48Å; M357-Y361 VanDerWaalsContact CE-CD2 3.48Å; M357-Y361 HydrophobicContact CE-CE2 3.86Å; M357-Y361 HydrophobicContact CE-CG 4.37Å; M357-Y361 PolarHBondContact O-N 3.49Å; K358-Y361 WeakPolarHBondContact O-CB 3Å; K358-Y361 PolarHBondContact O-N 3.27Å; K358-Y361 VanDerWaalsContact O-N 3.08Å; P359-Y361 VanDerWaalsContact C-N 3.26Å; P359-Y361 PolarHBondContact O-N 2.91Å; Y361-A364 PolarHBondContact O-N 3.23Å; Y361-A365 PolarHBondContact O-N 2.99Å; Y361-L377 HydrophobicContact CD1-CB 4.41Å; Y361-L377 HydrophobicContact CD1-CD1 4.22Å; Y361-L377 HydrophobicContact CD2-CD1 4.19Å; Y361-L377 HydrophobicContact CE1-CB 3.79Å; Y361-L377 HydrophobicContact CE1-CD1 4.17Å; Y361-L377 HydrophobicContact CE1-CD2 4.5Å; Y361-L377 HydrophobicContact CE1-CG 4.38Å; Y361-L377 HydrophobicContact CE2-CD1 4.12Å; Y361-L377 HydrophobicContact CE2-CD2 4.12Å; Y361-L377 HydrophobicContact CG-CD1 4.24Å; Y361-L377 VanDerWaalsContact O-CD1 3.29Å; Y361-L377 WeakPolarHBondContact O-CD1 3.26Å; Y361-A378 PolarHBondContact OH-O 3.34Å; Y361-I421 HydrophobicContact CD2-CD1 3.7Å; Y361-I421 HydrophobicContact CE2-CD1 4.3Å
362	E	95.6	Very high	90.8	Very high	44 Å²	44	69 Å²	69	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-45.2	175.8	-68.1	-178.3	135.1	0	0	111.8	W317 S322 P323 V324 K358 P359 A364 A365 E366	W317-E362 HydrophobicContact CZ2-CG 3.91Å; W317-E362 PolarHBondContact NE1-OE1 3.05Å; S322-E362 WeakPolarHBondContact CB-OE1 3.41Å; S322-E362 WeakPolarHBondContact OG-CG 3.48Å; S322-E362 PolarHBondContact OG-OE1 3.29Å; P323-E362 WeakPolarHBondContact CG-O 3.31Å; V324-E362 HydrophobicContact CG2-CG 4.11Å; K358-E362 WeakPolarHBondContact CE-OE1 3.46Å; K358-E362 WeakPolarHBondContact CE-OE2 3.4Å; K358-E362 HydrophobicContact CG-CG 4.36Å; K358-E362 WeakPolarHBondContact O-CG 3.31Å; K358-E362 PolarHBondContact O-N 3.25Å; P359-E362 PolarHBondContact O-N 2.79Å; E362-A364 VanDerWaalsContact C-N 3.28Å; E362-A364 PolarHBondContact O-N 3.21Å; E362-A365 WeakPolarHBondContact O-CB 3.49Å; E362-A365 PolarHBondContact O-N 3.38Å; E362-A365 VanDerWaalsContact O-N 3.15Å; E362-E366 PolarHBondContact O-N 3.3Å
363	E	94.9	Very high	91	Very high	98 Å²	98	67.9 Å²	67.9	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-35.4	175.6	-73	-175.5	-153.2	0	0	112.5	P359 Y367 K418	P359-E363 WeakPolarHBondContact O-CG 3.33Å; P359-E363 PolarHBondContact O-N 3.32Å; E363-Y367 PolarHBondContact O-N 2.89Å; E363-Y367 VanDerWaalsContact O-N 3.12Å; E363-K418 HydrophobicContact CB-CD 3.54Å; E363-K418 HydrophobicContact CB-CG 4.42Å; E363-K418 WeakPolarHBondContact OE2-CD 3.42Å; E363-K418 IonicContact OE2-NZ 3.97Å; E363-K418 PolarHBondContact OE2-NZ 3.48Å
364	A	95.6	Very high	90.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-41.3	174.1	0	0	0	0	0	111.6	E360 Y361 E362 Y367 L368 L377 K418 I421 I422	E360-A364 WeakPolarHBondContact O-CB 3.45Å; E360-A364 PolarHBondContact O-N 2.02Å; Y361-A364 PolarHBondContact O-N 3.23Å; E362-A364 VanDerWaalsContact C-N 3.28Å; E362-A364 PolarHBondContact O-N 3.21Å; A364-Y367 PolarHBondContact O-N 2.85Å; A364-L368 WeakPolarHBondContact O-CB 3.24Å; A364-L368 WeakPolarHBondContact O-CD1 3.44Å; A364-L368 WeakPolarHBondContact O-CG 3.37Å; A364-L368 PolarHBondContact O-N 2.99Å; A364-L377 HydrophobicContact CB-CD1 3.72Å; A364-K418 HydrophobicContact CB-CG 4.03Å; A364-I421 HydrophobicContact CB-CB 4.15Å; A364-I421 HydrophobicContact CB-CD1 4.45Å; A364-I421 HydrophobicContact CB-CG2 3.86Å; A364-I422 HydrophobicContact CB-CG1 4.2Å
365	A	95.4	Very high	90.8	Very high	6 Å²	6	66.6 Å²	66.6	5%	0.05	33%	0.332	C	S	.	.	H	α-helix	trans	-63.7	-43.4	177.9	0	0	0	0	0	111.4	P323 V324 Y361 E362 Y367 L368 K369 L377	P323-A365 HydrophobicContact CB-CB 3.87Å; P323-A365 HydrophobicContact CG-CB 3.87Å; V324-A365 HydrophobicContact CG2-CB 3.64Å; Y361-A365 PolarHBondContact O-N 2.99Å; E362-A365 WeakPolarHBondContact O-CB 3.49Å; E362-A365 PolarHBondContact O-N 3.38Å; E362-A365 VanDerWaalsContact O-N 3.15Å; A365-Y367 PolarHBondContact O-N 3.04Å; A365-L368 PolarHBondContact O-N 3.24Å; A365-K369 WeakPolarHBondContact O-CB 3.38Å; A365-K369 PolarHBondContact O-N 3.07Å; A365-L377 HydrophobicContact CB-CB 3.99Å; A365-L377 HydrophobicContact CB-CD1 3.91Å; A365-L377 HydrophobicContact CB-CG 4.23Å
366	E	94.5	Very high	91.1	Very high	79 Å²	79	63.5 Å²	63.5	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-48.5	176	-164.7	67	-168.7	0	0	110.8	P323 E362 L368 K369 D370	P323-E366 WeakPolarHBondContact CB-OE2 3.43Å; P323-E366 HydrophobicContact CG-CB 4.14Å; P323-E366 WeakPolarHBondContact CG-OE2 3.08Å; E362-E366 PolarHBondContact O-N 3.3Å; E366-L368 PolarHBondContact O-N 2.83Å; E366-K369 WeakPolarHBondContact O-CB 3.31Å; E366-K369 PolarHBondContact O-N 3.08Å; E366-D370 PolarHBondContact O-N 3.15Å
367	Y	93.7	Very high	91.5	Very high	106 Å²	106	55.6 Å²	55.6	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-42.9	178.4	-178.2	-88.4	0	0	0	112.9	E363 A364 A365 K369 D370 T371 I422	E363-Y367 PolarHBondContact O-N 2.89Å; E363-Y367 VanDerWaalsContact O-N 3.12Å; A364-Y367 PolarHBondContact O-N 2.85Å; A365-Y367 PolarHBondContact O-N 3.04Å; Y367-K369 VanDerWaalsContact C-N 3.33Å; Y367-D370 PolarHBondContact O-N 3.35Å; Y367-T371 HydrophobicContact CD1-CG2 4.23Å; Y367-T371 HydrophobicContact CE1-CG2 3.79Å; Y367-T371 HydrophobicContact CE2-CG2 4.13Å; Y367-T371 WeakPolarHBondContact O-CB 3.48Å; Y367-T371 WeakPolarHBondContact O-CG2 3.04Å; Y367-T371 PolarHBondContact O-N 3.43Å; Y367-T371 PolarHBondContact O-OG1 2.66Å; Y367-I422 HydrophobicContact CD1-CD1 3.54Å; Y367-I422 HydrophobicContact CD1-CG1 3.89Å; Y367-I422 HydrophobicContact CD1-CG2 3.83Å; Y367-I422 HydrophobicContact CD2-CD1 4.47Å; Y367-I422 HydrophobicContact CE1-CD1 4.14Å; Y367-I422 HydrophobicContact CE1-CG1 4.5Å; Y367-I422 HydrophobicContact CE1-CG2 3.6Å; Y367-I422 HydrophobicContact CG-CD1 3.73Å; Y367-I422 HydrophobicContact CG-CG1 4.48Å
368	L	91.4	Very high	91.7	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-36.6	-180	-71	163.6	0	0	0	111.8	A364 A365 E366 T371 N372 S373 L377 L425	A364-L368 WeakPolarHBondContact O-CB 3.24Å; A364-L368 WeakPolarHBondContact O-CD1 3.44Å; A364-L368 WeakPolarHBondContact O-CG 3.37Å; A364-L368 PolarHBondContact O-N 2.99Å; A365-L368 PolarHBondContact O-N 3.24Å; E366-L368 PolarHBondContact O-N 2.83Å; L368-T371 PolarHBondContact O-OG1 3.41Å; L368-N372 PolarHBondContact O-N 2.9Å; L368-S373 WeakPolarHBondContact CD2-OG 3.5Å; L368-S373 WeakPolarHBondContact O-CB 3.27Å; L368-S373 PolarHBondContact O-N 2.97Å; L368-L377 HydrophobicContact CD1-CD1 4.18Å; L368-L377 HydrophobicContact CD1-CD2 4.31Å; L368-L377 HydrophobicContact CD1-CG 3.92Å; L368-L425 HydrophobicContact CD1-CD1 3.47Å; L368-L425 VanDerWaalsContact CD1-CD1 3.47Å; L368-L425 HydrophobicContact CD2-CB 4.28Å
369	K	88.8	Confident	91.9	Very high	141 Å²	141	52.9 Å²	52.9	61%	0.613	28%	0.275	S	S	*	.	H	α-helix	trans	-64.7	-47.9	173.3	-176.5	-176.2	175.2	-169.2	0	111.3	A365 E366 Y367 T371 N372	A365-K369 WeakPolarHBondContact O-CB 3.38Å; A365-K369 PolarHBondContact O-N 3.07Å; E366-K369 WeakPolarHBondContact O-CB 3.31Å; E366-K369 PolarHBondContact O-N 3.08Å; Y367-K369 VanDerWaalsContact C-N 3.33Å; K369-T371 VanDerWaalsContact C-N 3.31Å; K369-T371 PolarHBondContact O-N 3.15Å; K369-N372 PolarHBondContact O-N 3.28Å
370	D	88.8	Confident	92.1	Very high	122 Å²	122	50 Å²	50	65%	0.652	26%	0.256	S	S	*	.	H	α-helix	trans	-65.4	-33.1	-179.5	-76.9	-11.1	0	0	0	113.1	E366 Y367 N372	E366-D370 PolarHBondContact O-N 3.15Å; Y367-D370 PolarHBondContact O-N 3.35Å; D370-N372 VanDerWaalsContact C-N 3.3Å
371	T	86.8	Confident	92	Very high	66 Å²	66	46.8 Å²	46.8	41%	0.405	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.2	178.8	54.4	0	0	0	0	113.7	Y367 L368 K369 S373	Y367-T371 HydrophobicContact CD1-CG2 4.23Å; Y367-T371 HydrophobicContact CE1-CG2 3.79Å; Y367-T371 HydrophobicContact CE2-CG2 4.13Å; Y367-T371 WeakPolarHBondContact O-CB 3.48Å; Y367-T371 WeakPolarHBondContact O-CG2 3.04Å; Y367-T371 PolarHBondContact O-N 3.43Å; Y367-T371 PolarHBondContact O-OG1 2.66Å; L368-T371 PolarHBondContact O-OG1 3.41Å; K369-T371 VanDerWaalsContact C-N 3.31Å; K369-T371 PolarHBondContact O-N 3.15Å; T371-S373 PolarHBondContact O-N 3.4Å
372	N	81.1	Confident	91.9	Very high	149 Å²	149	47.5 Å²	47.5	80%	0.797	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.3	-176.8	-160.6	50.7	0	0	0	112.4	L368 K369 D370	L368-N372 PolarHBondContact O-N 2.9Å; K369-N372 PolarHBondContact O-N 3.28Å; D370-N372 VanDerWaalsContact C-N 3.3Å
373	S	81.9	Confident	91.4	Very high	26 Å²	26	47.8 Å²	47.8	18%	0.182	25%	0.25	C	S	.	.			trans	-67.7	144.4	178.8	-177.4	0	0	0	0	110.6	L368 T371 G375	L368-S373 WeakPolarHBondContact CD2-OG 3.5Å; L368-S373 WeakPolarHBondContact O-CB 3.27Å; L368-S373 PolarHBondContact O-N 2.97Å; T371-S373 PolarHBondContact O-N 3.4Å; S373-G375 PolarHBondContact O-N 3.39Å; S373-G375 PolarHBondContact OG-N 3.18Å
374	P	78.6	Confident	91.2	Very high	99 Å²	99	47.1 Å²	47.1	64%	0.643	25%	0.249	S	C	*	.	S	Bend	trans	-68.3	-16.5	175.5	28.4	-35.8	0	0	0	113.6
375	G	89.2	Confident	91.1	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129	-178.6	0	0	0	0	0	112.8	S341 S373	S341-G375 WeakPolarHBondContact O-CA 3.35Å; S373-G375 PolarHBondContact O-N 3.39Å; S373-G375 PolarHBondContact OG-N 3.18Å
376	V	94.2	Very high	90.9	Very high	26 Å²	26	55 Å²	55	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143	-178.7	-175.5	0	0	0	0	111.2	F325 F335 S341 V342 L343	F325-V376 HydrophobicContact CD2-CG1 3.4Å; F325-V376 HydrophobicContact CE2-CG1 3.48Å; F325-V376 VanDerWaalsContact CE2-CG1 3.48Å; F335-V376 HydrophobicContact CE1-CG1 4.4Å; F335-V376 HydrophobicContact CZ-CG1 3.82Å; S341-V376 PolarHBondContact O-N 2.96Å; V342-V376 WeakPolarHBondContact CA-O 3.35Å; L343-V376 PolarHBondContact N-O 3.11Å
377	L	97.3	Very high	91	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.9	174.6	-62.4	-167.1	0	0	0	111.3	F325 L343 Y361 A364 A365 L368 I421 L425	F325-L377 PolarHBondContact N-O 3.13Å; F325-L377 VanDerWaalsContact N-O 3.12Å; L343-L377 HydrophobicContact CB-CD2 3.59Å; L343-L377 HydrophobicContact CD2-CD2 3.75Å; L343-L377 HydrophobicContact CG-CD2 4.2Å; Y361-L377 HydrophobicContact CD1-CB 4.41Å; Y361-L377 HydrophobicContact CD1-CD1 4.22Å; Y361-L377 HydrophobicContact CD2-CD1 4.19Å; Y361-L377 HydrophobicContact CE1-CB 3.79Å; Y361-L377 HydrophobicContact CE1-CD1 4.17Å; Y361-L377 HydrophobicContact CE1-CD2 4.5Å; Y361-L377 HydrophobicContact CE1-CG 4.38Å; Y361-L377 HydrophobicContact CE2-CD1 4.12Å; Y361-L377 HydrophobicContact CE2-CD2 4.12Å; Y361-L377 HydrophobicContact CG-CD1 4.24Å; Y361-L377 VanDerWaalsContact O-CD1 3.29Å; Y361-L377 WeakPolarHBondContact O-CD1 3.26Å; A364-L377 HydrophobicContact CB-CD1 3.72Å; A365-L377 HydrophobicContact CB-CB 3.99Å; A365-L377 HydrophobicContact CB-CD1 3.91Å; A365-L377 HydrophobicContact CB-CG 4.23Å; L368-L377 HydrophobicContact CD1-CD1 4.18Å; L368-L377 HydrophobicContact CD1-CD2 4.31Å; L368-L377 HydrophobicContact CD1-CG 3.92Å; L377-I421 HydrophobicContact CD1-CG2 3.85Å; L377-I421 HydrophobicContact CD2-CG2 3.88Å; L377-L425 HydrophobicContact CD2-CD1 3.4Å; L377-L425 HydrophobicContact CG-CD1 4.26Å
378	A	97.6	Very high	91.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.7	176.1	0	0	0	0	0	111.8	F325 L327 F335 V342 L343 I344 M345 Y361	F325-A378 HydrophobicContact CB-CB 4.12Å; F325-A378 CarbonylContact O-C 3.45Å; F325-A378 WeakPolarHBondContact O-CA 3.48Å; F325-A378 WeakPolarHBondContact O-CB 3.36Å; L327-A378 HydrophobicContact CD1-CB 3.83Å; L327-A378 HydrophobicContact CD2-CB 4.38Å; L327-A378 HydrophobicContact CG-CB 3.94Å; F335-A378 HydrophobicContact CE1-CB 3.99Å; F335-A378 HydrophobicContact CZ-CB 4.38Å; V342-A378 HydrophobicContact CG1-CB 4.08Å; L343-A378 PolarHBondContact O-N 3.13Å; I344-A378 CarbonylContact C-O 3.08Å; I344-A378 VanDerWaalsContact CA-O 3.3Å; I344-A378 WeakPolarHBondContact CA-O 3.43Å; I344-A378 HydrophobicContact CG1-CB 4.28Å; M345-A378 PolarHBondContact N-O 3.36Å; Y361-A378 PolarHBondContact OH-O 3.34Å
379	A	97.5	Very high	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.9	-179.4	0	0	0	0	0	111.9	W317 V324 F325 H326 L327 M345 Y347	W317-A379 HydrophobicContact CE3-CB 4.1Å; W317-A379 HydrophobicContact CH2-CB 3.67Å; W317-A379 HydrophobicContact CZ3-CB 3.41Å; W317-A379 VanDerWaalsContact CZ3-CB 3.41Å; V324-A379 HydrophobicContact CG1-CB 3.8Å; F325-A379 PolarHBondContact O-N 2.94Å; H326-A379 WeakPolarHBondContact CA-O 3.32Å; L327-A379 PolarHBondContact N-O 2.95Å; M345-A379 HydrophobicContact CB-CB 4.46Å; M345-A379 CarbonylContact O-C 3.56Å; M345-A379 VanDerWaalsContact O-CA 3.29Å; M345-A379 WeakPolarHBondContact O-CA 3.47Å; Y347-A379 HydrophobicContact CD1-CB 4.1Å; Y347-A379 HydrophobicContact CE1-CB 3.89Å
380	V	97.4	Very high	91.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.6	178.1	-174.9	0	0	0	0	109.8	L327 F332 I344 M345 F346 Y347 T382 H385 V388	L327-V380 HydrophobicContact CB-CG2 3.87Å; L327-V380 HydrophobicContact CG-CG2 4.49Å; F332-V380 HydrophobicContact CD2-CG2 3.99Å; F332-V380 HydrophobicContact CE2-CG2 3.98Å; I344-V380 HydrophobicContact CG2-CG2 3.89Å; M345-V380 PolarHBondContact O-N 2.98Å; F346-V380 HydrophobicContact CD1-CB 4.09Å; F346-V380 HydrophobicContact CE1-CB 4.4Å; F346-V380 HydrophobicContact CE1-CG2 4.39Å; Y347-V380 VanDerWaalsContact CD1-C 3.49Å; Y347-V380 WeakPolarHBondContact CD1-O 3.42Å; Y347-V380 VanDerWaalsContact CE1-C 3.41Å; Y347-V380 PolarHBondContact N-O 2.93Å; V380-T382 HydrophobicContact CG1-CG2 4.15Å; V380-T382 PolarHBondContact O-N 2.69Å; V380-H385 HydrophobicContact CG1-CB 3.85Å; V380-V388 HydrophobicContact CG1-CG1 4.08Å
381	D	95.6	Very high	91.8	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.053	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	99	168.3	-173.6	-18.6	0	0	0	108.9	Y347 P349 T383 I384 H385	Y347-D381 HydrophobicContact CE1-CB 4.03Å; Y347-D381 HydrophobicContact CE2-CB 4.25Å; P349-D381 VanDerWaalsContact CD-OD2 3.31Å; P349-D381 WeakPolarHBondContact CD-OD2 3.24Å; D381-T383 PolarHBondContact O-N 2.81Å; D381-T383 WeakPolarHBondContact OD1-CA 3.16Å; D381-T383 VanDerWaalsContact OD1-CB 3.23Å; D381-T383 WeakPolarHBondContact OD1-CB 3.42Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.44Å; D381-T383 PolarHBondContact OD1-N 3.01Å; D381-T383 PolarHBondContact OD1-OG1 2.76Å; D381-T383 PolarHBondContact OD2-OG1 3.47Å; D381-I384 PolarHBondContact O-N 3Å; D381-H385 WeakPolarHBondContact O-CB 3.29Å; D381-H385 PolarHBondContact O-N 2.98Å
382	T	93.9	Very high	92.1	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.086	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3.1	-178.6	71	0	0	0	0	112.8	F346 Y347 V380 I384 I394 F397	F346-T382 HydrophobicContact CB-CG2 3.96Å; F346-T382 HydrophobicContact CD1-CG2 3.68Å; F346-T382 HydrophobicContact CG-CG2 4.31Å; Y347-T382 PolarHBondContact O-N 2.7Å; V380-T382 HydrophobicContact CG1-CG2 4.15Å; V380-T382 PolarHBondContact O-N 2.69Å; T382-I384 VanDerWaalsContact C-N 3.32Å; T382-I394 HydrophobicContact CG2-CG1 4.5Å; T382-F397 WeakPolarHBondContact OG1-CE1 3.38Å; T382-F397 VanDerWaalsContact OG1-CZ 3.24Å; T382-F397 WeakPolarHBondContact OG1-CZ 3.46Å
383	T	84.7	Confident	92.7	Very high	50 Å²	50	48.8 Å²	48.8	31%	0.307	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.3	167.2	74.6	0	0	0	0	111.5	A348 D381	A348-T383 HydrophobicContact CB-CG2 3.46Å; A348-T383 VanDerWaalsContact CB-CG2 3.46Å; D381-T383 PolarHBondContact O-N 2.81Å; D381-T383 WeakPolarHBondContact OD1-CA 3.16Å; D381-T383 VanDerWaalsContact OD1-CB 3.23Å; D381-T383 WeakPolarHBondContact OD1-CB 3.42Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.44Å; D381-T383 PolarHBondContact OD1-N 3.01Å; D381-T383 PolarHBondContact OD1-OG1 2.76Å; D381-T383 PolarHBondContact OD2-OG1 3.47Å
384	I	90.4	Very high	93.2	Very high	84 Å²	84	48.7 Å²	48.7	43%	0.431	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-53.8	174.6	-58.8	174.2	0	0	0	109.8	Q316 D381 T382 K386	Q316-I384 VanDerWaalsContact OE1-CD1 3.24Å; D381-I384 PolarHBondContact O-N 3Å; T382-I384 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 3.25Å; I384-K386 VanDerWaalsContact O-N 3.14Å
385	H	94.6	Very high	93.4	Very high	38 Å²	38	50 Å²	50	18%	0.176	26%	0.262	C	S	.	.			trans	-90.1	74.4	-175.5	-60.7	-55.9	0	0	0	111.7	T328 D329 V380 D381 G389	T328-H385 VanDerWaalsContact CB-CE1 3.43Å; T328-H385 WeakPolarHBondContact CB-CE1 3.47Å; D329-H385 PolarHBondContact N-ND1 3.1Å; D329-H385 WeakPolarHBondContact OD1-CB 3.5Å; D329-H385 VanDerWaalsContact OD2-CA 3.23Å; D329-H385 WeakPolarHBondContact OD2-CA 3.39Å; D329-H385 IonicContact OD2-ND1 3.57Å; V380-H385 HydrophobicContact CG1-CB 3.85Å; D381-H385 WeakPolarHBondContact O-CB 3.29Å; D381-H385 PolarHBondContact O-N 2.98Å; H385-G389 PolarHBondContact O-N 3.08Å
386	K	91.8	Very high	93.1	Very high	133 Å²	133	51.2 Å²	51.2	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-73.2	-33	-171.7	-65	-173.9	180	-175.1	0	112.8	I384 V388 G389 D390	I384-K386 PolarHBondContact O-N 3.25Å; I384-K386 VanDerWaalsContact O-N 3.14Å; K386-V388 PolarHBondContact O-N 3.34Å; K386-G389 PolarHBondContact O-N 3.3Å; K386-D390 WeakPolarHBondContact O-CB 3.46Å; K386-D390 VanDerWaalsContact O-CG 3.3Å; K386-D390 PolarHBondContact O-N 3.06Å
387	A	94.9	Very high	92.7	Very high	63 Å²	63	52.4 Å²	52.4	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-43.7	-176.8	0	0	0	0	0	111.2	D329 R391	D329-A387 HydrophobicContact CB-CB 4.46Å; D329-A387 WeakPolarHBondContact OD1-CB 3.23Å; D329-A387 PolarHBondContact OD1-N 3.39Å; A387-R391 VanDerWaalsContact O-CB 3.31Å; A387-R391 WeakPolarHBondContact O-CB 3.43Å; A387-R391 PolarHBondContact O-N 2.63Å
388	V	96.1	Very high	92.5	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.1	171.9	167.1	0	0	0	0	111.3	D329 F332 F346 V380 K386 D390 R391 F392	D329-V388 WeakPolarHBondContact OD1-CB 3.36Å; D329-V388 WeakPolarHBondContact OD1-CG2 3.18Å; D329-V388 PolarHBondContact OD1-N 3.04Å; F332-V388 HydrophobicContact CB-CG2 3.91Å; F332-V388 HydrophobicContact CD2-CG1 3.67Å; F332-V388 HydrophobicContact CD2-CG2 4Å; F332-V388 HydrophobicContact CE2-CG1 3.64Å; F332-V388 HydrophobicContact CG-CG1 4.29Å; F332-V388 HydrophobicContact CG-CG2 3.92Å; F332-V388 HydrophobicContact CZ-CG1 4.24Å; F346-V388 HydrophobicContact CD1-CG1 4.37Å; F346-V388 HydrophobicContact CE1-CG1 3.65Å; V380-V388 HydrophobicContact CG1-CG1 4.08Å; K386-V388 PolarHBondContact O-N 3.34Å; V388-D390 VanDerWaalsContact C-N 3.34Å; V388-D390 PolarHBondContact O-N 2.89Å; V388-R391 PolarHBondContact O-N 3.03Å; V388-F392 HydrophobicContact CG1-CD2 4.06Å; V388-F392 HydrophobicContact CG1-CE2 4.36Å; V388-F392 VanDerWaalsContact O-CD2 3.32Å; V388-F392 WeakPolarHBondContact O-CD2 3.33Å; V388-F392 PolarHBondContact O-N 3.07Å; V388-F392 VanDerWaalsContact O-N 3.15Å
389	G	93.1	Very high	92.4	Very high	5 Å²	5	53.8 Å²	53.8	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-44.7	177.2	0	0	0	0	0	113.3	H385 K386 K393 I394	H385-G389 PolarHBondContact O-N 3.08Å; K386-G389 PolarHBondContact O-N 3.3Å; G389-K393 PolarHBondContact O-N 3.39Å; G389-K393 VanDerWaalsContact O-N 3.15Å; G389-I394 PolarHBondContact O-N 2.87Å
390	D	94.1	Very high	92.3	Very high	126 Å²	126	53.9 Å²	53.9	67%	0.674	29%	0.288	S	S	*	.	H	α-helix	trans	-69.3	-44.2	178.7	-70.5	-21.9	0	0	0	111.5	K386 V388 F392 K393	K386-D390 WeakPolarHBondContact O-CB 3.46Å; K386-D390 VanDerWaalsContact O-CG 3.3Å; K386-D390 PolarHBondContact O-N 3.06Å; V388-D390 VanDerWaalsContact C-N 3.34Å; V388-D390 PolarHBondContact O-N 2.89Å; D390-F392 VanDerWaalsContact C-N 3.27Å; D390-F392 PolarHBondContact O-N 3.13Å; D390-K393 PolarHBondContact O-N 2.7Å; D390-K393 VanDerWaalsContact O-N 3.08Å
391	R	95.8	Very high	92.3	Very high	135 Å²	135	54.7 Å²	54.7	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-54.5	-42.6	177.7	177.2	176.2	172.9	-171.7	-6.3	112	D333 A387 V388	D333-R391 IonicContact OD1-CZ 3.55Å; D333-R391 IonicContact OD1-NH1 3.02Å; D333-R391 PolarHBondContact OD1-NH1 2.87Å; D333-R391 IonicContact OD1-NH2 2.72Å; D333-R391 PolarHBondContact OD1-NH2 2.75Å; D333-R391 IonicContact OD2-NH1 2.64Å; D333-R391 PolarHBondContact OD2-NH1 3.34Å; A387-R391 VanDerWaalsContact O-CB 3.31Å; A387-R391 WeakPolarHBondContact O-CB 3.43Å; A387-R391 PolarHBondContact O-N 2.63Å; V388-R391 PolarHBondContact O-N 3.03Å
392	F	94.3	Very high	92.3	Very high	21 Å²	21	54.3 Å²	54.3	9%	0.092	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	11.1	-178.5	-66	-70.6	0	0	0	114.2	F332 F346 V388 D390 I394 K401 F403 E408	F332-F392 HydrophobicContact CD1-CE2 4.17Å; F332-F392 HydrophobicContact CE1-CD2 4.38Å; F332-F392 AromaticContact CE1-CE2 3.31Å; F332-F392 HydrophobicContact CE1-CE2 3.31Å; F332-F392 AromaticContact CE1-CZ 3.61Å; F332-F392 HydrophobicContact CE1-CZ 3.61Å; F332-F392 HydrophobicContact CE2-CE2 4.38Å; F332-F392 HydrophobicContact CZ-CD2 4.11Å; F332-F392 AromaticContact CZ-CE2 3.44Å; F332-F392 HydrophobicContact CZ-CE2 3.44Å; F332-F392 VanDerWaalsContact CZ-CE2 3.44Å; F332-F392 AromaticContact CZ-CZ 3.96Å; F332-F392 HydrophobicContact CZ-CZ 3.96Å; F346-F392 HydrophobicContact CE1-CD2 4.25Å; F346-F392 HydrophobicContact CZ-CB 4.49Å; F346-F392 HydrophobicContact CZ-CD2 4.2Å; F346-F392 HydrophobicContact CZ-CG 4.4Å; V388-F392 HydrophobicContact CG1-CD2 4.06Å; V388-F392 HydrophobicContact CG1-CE2 4.36Å; V388-F392 VanDerWaalsContact O-CD2 3.32Å; V388-F392 WeakPolarHBondContact O-CD2 3.33Å; V388-F392 PolarHBondContact O-N 3.07Å; V388-F392 VanDerWaalsContact O-N 3.15Å; D390-F392 VanDerWaalsContact C-N 3.27Å; D390-F392 PolarHBondContact O-N 3.13Å; F392-I394 VanDerWaalsContact C-N 3.32Å; F392-I394 HydrophobicContact CB-CD1 4.05Å; F392-I394 HydrophobicContact CB-CG1 4.24Å; F392-I394 PolarHBondContact O-N 3.08Å; F392-K401 HydrophobicContact CB-CD 4.27Å; F392-K401 WeakPolarHBondContact O-CE 3.49Å; F392-F403 HydrophobicContact CD1-CE1 4.31Å; F392-F403 HydrophobicContact CD1-CZ 4.07Å; F392-F403 AromaticContact CE1-CE1 3.52Å; F392-F403 HydrophobicContact CE1-CE1 3.52Å; F392-F403 AromaticContact CE1-CZ 3.69Å; F392-F403 HydrophobicContact CE1-CZ 3.69Å; F392-F403 HydrophobicContact CE2-CZ 4.36Å; F392-F403 AromaticContact CZ-CE1 3.64Å; F392-F403 HydrophobicContact CZ-CE1 3.64Å; F392-F403 AromaticContact CZ-CZ 3.85Å; F392-F403 HydrophobicContact CZ-CZ 3.85Å; F392-E408 WeakPolarHBondContact CD1-OE2 3.26Å; F392-E408 HydrophobicContact CE1-CB 4.42Å
393	K	92.6	Very high	92.5	Very high	182 Å²	182	53.8 Å²	53.8	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	45.5	175.3	-55.3	-180	-177.8	176.5	0	112.8	G389 D390 S395	G389-K393 PolarHBondContact O-N 3.39Å; G389-K393 VanDerWaalsContact O-N 3.15Å; D390-K393 PolarHBondContact O-N 2.7Å; D390-K393 VanDerWaalsContact O-N 3.08Å; K393-S395 PolarHBondContact O-N 3.29Å; K393-S395 VanDerWaalsContact O-N 3.12Å
394	I	92.3	Very high	92.9	Very high	25 Å²	25	55 Å²	55	13%	0.128	29%	0.288	C	S	.	.			trans	-74	104.5	-179.1	-53.2	-57.6	0	0	0	109.6	F346 T382 G389 F392 F397 T399 K401	F346-I394 HydrophobicContact CB-CD1 4Å; F346-I394 HydrophobicContact CB-CG1 4.05Å; F346-I394 HydrophobicContact CB-CG2 4Å; F346-I394 HydrophobicContact CD1-CD1 4.03Å; F346-I394 HydrophobicContact CD1-CG1 3.86Å; F346-I394 HydrophobicContact CD2-CD1 3.79Å; F346-I394 HydrophobicContact CD2-CG1 4.48Å; F346-I394 HydrophobicContact CE1-CD1 4.48Å; F346-I394 HydrophobicContact CE1-CG1 4.46Å; F346-I394 HydrophobicContact CE2-CD1 4.29Å; F346-I394 HydrophobicContact CG-CD1 3.65Å; F346-I394 HydrophobicContact CG-CG1 3.86Å; T382-I394 HydrophobicContact CG2-CG1 4.5Å; G389-I394 PolarHBondContact O-N 2.87Å; F392-I394 VanDerWaalsContact C-N 3.32Å; F392-I394 HydrophobicContact CB-CD1 4.05Å; F392-I394 HydrophobicContact CB-CG1 4.24Å; F392-I394 PolarHBondContact O-N 3.08Å; I394-F397 HydrophobicContact CG2-CD1 4.19Å; I394-F397 HydrophobicContact CG2-CE1 3.62Å; I394-F397 HydrophobicContact CG2-CZ 4.35Å; I394-T399 HydrophobicContact CD1-CG2 3.76Å; I394-K401 HydrophobicContact CD1-CD 4.26Å
395	S	84.8	Confident	93	Very high	125 Å²	125	59.2 Å²	59.2	87%	0.874	30%	0.303	S	S	*	.			trans	-106.6	1.6	-179.6	67.7	0	0	0	0	113.9	K393	K393-S395 PolarHBondContact O-N 3.29Å; K393-S395 VanDerWaalsContact O-N 3.12Å
396	G	82.3	Confident	92.9	Very high	28 Å²	28	59 Å²	59	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	-164.4	161.1	-176.1	0	0	0	0	0	113.3	T399	G396-T399 PolarHBondContact O-OG1 3.49Å
397	F	86.5	Confident	92.9	Very high	51 Å²	51	58.2 Å²	58.2	22%	0.224	31%	0.309	C	S	.	.	S	Bend	trans	-131.2	142.6	-170.9	-57	-62.1	0	0	0	113.1	A348 W350 C351 T382 I394	A348-F397 HydrophobicContact CB-CD1 4.37Å; A348-F397 HydrophobicContact CB-CD2 3.72Å; A348-F397 HydrophobicContact CB-CE1 4.49Å; A348-F397 HydrophobicContact CB-CE2 3.86Å; A348-F397 HydrophobicContact CB-CG 4Å; A348-F397 HydrophobicContact CB-CZ 4.25Å; W350-F397 AromaticContact CH2-CD2 3.96Å; W350-F397 HydrophobicContact CH2-CD2 3.96Å; W350-F397 HydrophobicContact CH2-CE2 4.17Å; W350-F397 HydrophobicContact CZ2-CD2 4.29Å; W350-F397 HydrophobicContact CZ2-CE2 4.14Å; C351-F397 HydrophobicContact CB-CB 4.13Å; T382-F397 WeakPolarHBondContact OG1-CE1 3.38Å; T382-F397 VanDerWaalsContact OG1-CZ 3.24Å; T382-F397 WeakPolarHBondContact OG1-CZ 3.46Å; I394-F397 HydrophobicContact CG2-CD1 4.19Å; I394-F397 HydrophobicContact CG2-CE1 3.62Å; I394-F397 HydrophobicContact CG2-CZ 4.35Å
398	P	92.9	Very high	92.9	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.045	30%	0.301	C	S	.	.	S	Bend	cis	-70.1	145.7	-16.3	28.8	-32.3	0	0	0	111	M345 F346 M357	M345-P398 HydrophobicContact CE-CB 3.74Å; M345-P398 HydrophobicContact CE-CG 4.43Å; M345-P398 HydrophobicContact CG-CB 4.29Å; F346-P398 WeakPolarHBondContact O-CA 3.46Å; M357-P398 HydrophobicContact SD-CB 4.14Å; M357-P398 HydrophobicContact SD-CG 3.83Å
399	T	94.6	Very high	92.8	Very high	26 Å²	26	62.3 Å²	62.3	16%	0.16	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.1	164.9	-67.9	0	0	0	0	108.1	F346 I394 G396 K401 T411	F346-T399 WeakPolarHBondContact CD2-O 3.31Å; F346-T399 PolarHBondContact N-O 2.69Å; F346-T399 PolarHBondContact O-N 3.12Å; I394-T399 HydrophobicContact CD1-CG2 3.76Å; G396-T399 PolarHBondContact O-OG1 3.49Å; T399-K401 HydrophobicContact CG2-CG 4.17Å; T399-T411 HydrophobicContact CG2-CG2 4.26Å
400	V	96.4	Very high	92.6	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.2	179.6	-176.3	0	0	0	0	108.1	L343 I344 M357 L412	L343-V400 HydrophobicContact CD1-CG1 3.58Å; L343-V400 HydrophobicContact CD2-CG1 3.95Å; L343-V400 HydrophobicContact CG-CG1 3.63Å; I344-V400 WeakPolarHBondContact O-CA 3.47Å; M357-V400 HydrophobicContact CE-CG2 3.66Å; M357-V400 HydrophobicContact SD-CG2 4.29Å; V400-L412 HydrophobicContact CG1-CB 4.47Å; V400-L412 PolarHBondContact O-N 3.13Å
401	K	96.2	Very high	92.5	Very high	17 Å²	17	61.6 Å²	61.6	7%	0.074	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.5	176.3	-61.4	174.8	171.4	-79.7	0	110.4	I344 F346 F392 I394 T399 F403 E408 F410 T411	I344-K401 PolarHBondContact N-O 3.12Å; I344-K401 PolarHBondContact O-N 2.98Å; F346-K401 HydrophobicContact CD2-CD 4.35Å; F346-K401 HydrophobicContact CD2-CG 4.43Å; F346-K401 HydrophobicContact CE2-CB 3.98Å; F346-K401 HydrophobicContact CE2-CD 3.74Å; F346-K401 HydrophobicContact CE2-CG 3.99Å; F346-K401 HydrophobicContact CZ-CD 4.34Å; F392-K401 HydrophobicContact CB-CD 4.27Å; F392-K401 WeakPolarHBondContact O-CE 3.49Å; I394-K401 HydrophobicContact CD1-CD 4.26Å; T399-K401 HydrophobicContact CG2-CG 4.17Å; K401-F403 HydrophobicContact CB-CD2 4.45Å; K401-F403 HydrophobicContact CB-CE2 3.72Å; K401-F403 HydrophobicContact CB-CZ 4.32Å; K401-E408 HydrophobicContact CD-CG 4.47Å; K401-E408 IonicContact NZ-OE1 2.62Å; K401-E408 PolarHBondContact NZ-OE1 3.08Å; K401-E408 IonicContact NZ-OE2 2.81Å; K401-F410 CarbonylContact C-O 3.57Å; K401-F410 VanDerWaalsContact CA-O 3.28Å; K401-F410 WeakPolarHBondContact CA-O 3.37Å; K401-T411 HydrophobicContact CG-CG2 4.39Å; K401-T411 PolarHBondContact NZ-OG1 3.36Å
402	Y	96.9	Very high	92.2	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132	175	178.2	-110.3	0	0	0	110.3	S341 V342 L343 E404 K409 F410 Y424 L425 P428	S341-Y402 VanDerWaalsContact OG-CE2 3.26Å; S341-Y402 WeakPolarHBondContact OG-CE2 3.26Å; S341-Y402 PolarHBondContact OG-OH 2.77Å; V342-Y402 WeakPolarHBondContact O-CD2 3.29Å; L343-Y402 HydrophobicContact CD1-CD2 4.3Å; Y402-E404 HydrophobicContact CE1-CB 3.89Å; Y402-K409 HydrophobicContact CD1-CB 4.08Å; Y402-K409 PolarHBondContact O-N 2.79Å; Y402-F410 AromaticContact CD1-CD2 3.88Å; Y402-F410 HydrophobicContact CD1-CD2 3.88Å; Y402-F410 HydrophobicContact CD1-CE2 4.42Å; Y402-F410 PolarHBondContact N-O 2.85Å; Y402-F410 PolarHBondContact O-N 3.08Å; Y402-Y424 HydrophobicContact CD1-CE1 4.27Å; Y402-Y424 AromaticContact CD2-CE1 3.91Å; Y402-Y424 HydrophobicContact CD2-CE1 3.91Å; Y402-Y424 AromaticContact CG-CE1 3.77Å; Y402-Y424 HydrophobicContact CG-CE1 3.77Å; Y402-L425 HydrophobicContact CD2-CD2 4.02Å; Y402-L425 HydrophobicContact CE2-CD2 3.7Å; Y402-P428 HydrophobicContact CD1-CB 4.48Å; Y402-P428 HydrophobicContact CE1-CB 3.72Å; Y402-P428 HydrophobicContact CE1-CG 4.41Å; Y402-P428 HydrophobicContact CE2-CB 4.33Å; Y402-P428 HydrophobicContact CE2-CG 4.31Å; Y402-P428 WeakPolarHBondContact OH-CG 3.31Å
403	F	96.5	Very high	91.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	178.6	-66	-99.1	0	0	0	109.6	F332 L336 V342 I344 F346 F392 K401 E407 E408	F332-F403 HydrophobicContact CE1-CE1 4.4Å; F332-F403 HydrophobicContact CE1-CZ 4.43Å; F332-F403 HydrophobicContact CZ-CE1 4.32Å; F332-F403 HydrophobicContact CZ-CE2 4.34Å; F332-F403 AromaticContact CZ-CZ 3.91Å; F332-F403 HydrophobicContact CZ-CZ 3.91Å; L336-F403 HydrophobicContact CD1-CD1 3.59Å; L336-F403 HydrophobicContact CD1-CE1 3.94Å; L336-F403 HydrophobicContact CD1-CG 4.09Å; L336-F403 HydrophobicContact CD2-CB 3.64Å; L336-F403 HydrophobicContact CD2-CD1 4.2Å; L336-F403 HydrophobicContact CD2-CD2 4.43Å; L336-F403 HydrophobicContact CD2-CG 3.85Å; V342-F403 HydrophobicContact CB-CB 4.42Å; V342-F403 PolarHBondContact N-O 2.9Å; V342-F403 PolarHBondContact O-N 3.39Å; I344-F403 HydrophobicContact CB-CD2 4.37Å; I344-F403 HydrophobicContact CB-CE2 4.1Å; I344-F403 HydrophobicContact CD1-CD2 3.64Å; I344-F403 HydrophobicContact CD1-CE2 3.61Å; I344-F403 HydrophobicContact CD1-CG 4.42Å; I344-F403 HydrophobicContact CD1-CZ 4.36Å; I344-F403 HydrophobicContact CG1-CD2 3.8Å; I344-F403 HydrophobicContact CG1-CE2 3.91Å; F346-F403 HydrophobicContact CE2-CE2 4.35Å; F346-F403 HydrophobicContact CZ-CE2 4.29Å; F346-F403 HydrophobicContact CZ-CZ 4.32Å; F392-F403 HydrophobicContact CD1-CE1 4.31Å; F392-F403 HydrophobicContact CD1-CZ 4.07Å; F392-F403 AromaticContact CE1-CE1 3.52Å; F392-F403 HydrophobicContact CE1-CE1 3.52Å; F392-F403 AromaticContact CE1-CZ 3.69Å; F392-F403 HydrophobicContact CE1-CZ 3.69Å; F392-F403 HydrophobicContact CE2-CZ 4.36Å; F392-F403 AromaticContact CZ-CE1 3.64Å; F392-F403 HydrophobicContact CZ-CE1 3.64Å; F392-F403 AromaticContact CZ-CZ 3.85Å; F392-F403 HydrophobicContact CZ-CZ 3.85Å; K401-F403 HydrophobicContact CB-CD2 4.45Å; K401-F403 HydrophobicContact CB-CE2 3.72Å; K401-F403 HydrophobicContact CB-CZ 4.32Å; F403-E407 CarbonylContact C-O 3.56Å; F403-E407 WeakPolarHBondContact CA-O 3.44Å; F403-E408 HydrophobicContact CD1-CB 4.11Å; F403-E408 HydrophobicContact CE1-CB 3.74Å; F403-E408 HydrophobicContact CE1-CG 4.42Å; F403-E408 HydrophobicContact CZ-CB 4.27Å; F403-E408 HydrophobicContact CZ-CG 4.48Å
404	E	94.7	Very high	90.9	Very high	77 Å²	77	56.9 Å²	56.9	36%	0.36	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.8	175.5	-175	179.4	-117.1	0	0	108.9	P340 Y402 G406 E407 K409	P340-E404 CarbonylContact O-C 3.06Å; P340-E404 VanDerWaalsContact O-CA 3.31Å; P340-E404 WeakPolarHBondContact O-CA 3.47Å; Y402-E404 HydrophobicContact CE1-CB 3.89Å; E404-G406 PolarHBondContact O-N 3.03Å; E404-E407 PolarHBondContact N-O 2.83Å; E404-E407 PolarHBondContact O-N 3.11Å; E404-K409 HydrophobicContact CB-CD 4.43Å; E404-K409 HydrophobicContact CB-CG 3.64Å
405	K	92.3	Very high	90.7	Very high	172 Å²	172	56.5 Å²	56.5	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	42.5	-178	-59.3	174.1	-177.9	175.4	0	112.5	P340 E407	P340-K405 PolarHBondContact O-N 2.91Å; K405-E407 VanDerWaalsContact C-N 3.3Å; K405-E407 PolarHBondContact O-N 2.81Å
406	G	91.1	Very high	91	Very high	32 Å²	32	55.8 Å²	55.8	33%	0.33	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-2.6	179.5	0	0	0	0	0	116.4	E404	E404-G406 PolarHBondContact O-N 3.03Å
407	E	92.9	Very high	91.5	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.6	178.3	-64.1	-175.3	163	0	0	111.9	F403 E404 K405 K409	F403-E407 CarbonylContact C-O 3.56Å; F403-E407 WeakPolarHBondContact CA-O 3.44Å; E404-E407 PolarHBondContact N-O 2.83Å; E404-E407 PolarHBondContact O-N 3.11Å; K405-E407 VanDerWaalsContact C-N 3.3Å; K405-E407 PolarHBondContact O-N 2.81Å; E407-K409 PolarHBondContact O-N 2.94Å; E407-K409 IonicContact OE2-NZ 3.58Å; E407-K409 PolarHBondContact OE2-NZ 3.42Å
408	E	94.1	Very high	91.8	Very high	77 Å²	77	56.7 Å²	56.7	36%	0.36	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	118.3	168.4	-177.2	-172.2	165.3	0	0	109.5	F392 K401 F403 T411	F392-E408 WeakPolarHBondContact CD1-OE2 3.26Å; F392-E408 HydrophobicContact CE1-CB 4.42Å; K401-E408 HydrophobicContact CD-CG 4.47Å; K401-E408 IonicContact NZ-OE1 2.62Å; K401-E408 PolarHBondContact NZ-OE1 3.08Å; K401-E408 IonicContact NZ-OE2 2.81Å; F403-E408 HydrophobicContact CD1-CB 4.11Å; F403-E408 HydrophobicContact CE1-CB 3.74Å; F403-E408 HydrophobicContact CE1-CG 4.42Å; F403-E408 HydrophobicContact CZ-CB 4.27Å; F403-E408 HydrophobicContact CZ-CG 4.48Å; E408-T411 PolarHBondContact OE1-OG1 3.01Å
409	K	93.5	Very high	91.8	Very high	77 Å²	77	61.9 Å²	61.9	34%	0.335	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-48	176.1	-61.6	-55.8	-171.3	-172.7	0	112.3	Y402 E404 E407	Y402-K409 HydrophobicContact CD1-CB 4.08Å; Y402-K409 PolarHBondContact O-N 2.79Å; E404-K409 HydrophobicContact CB-CD 4.43Å; E404-K409 HydrophobicContact CB-CG 3.64Å; E407-K409 PolarHBondContact O-N 2.94Å; E407-K409 IonicContact OE2-NZ 3.58Å; E407-K409 PolarHBondContact OE2-NZ 3.42Å
410	F	90.7	Very high	91.7	Very high	55 Å²	55	66.2 Å²	66.2	24%	0.241	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.3	-170.7	-52.1	-62.3	0	0	0	112.9	K401 Y402 L412 Y424 A430 P431	K401-F410 CarbonylContact C-O 3.57Å; K401-F410 VanDerWaalsContact CA-O 3.28Å; K401-F410 WeakPolarHBondContact CA-O 3.37Å; Y402-F410 AromaticContact CD1-CD2 3.88Å; Y402-F410 HydrophobicContact CD1-CD2 3.88Å; Y402-F410 HydrophobicContact CD1-CE2 4.42Å; Y402-F410 PolarHBondContact N-O 2.85Å; Y402-F410 PolarHBondContact O-N 3.08Å; F410-L412 HydrophobicContact CB-CD2 4.1Å; F410-L412 HydrophobicContact CB-CG 4.19Å; F410-Y424 WeakPolarHBondContact CD2-OH 3.48Å; F410-A430 HydrophobicContact CD1-CB 4.49Å; F410-A430 HydrophobicContact CE1-CB 3.62Å; F410-A430 HydrophobicContact CZ-CB 3.71Å; F410-P431 HydrophobicContact CD1-CG 4.27Å
411	T	90.3	Very high	91.6	Very high	61 Å²	61	66.1 Å²	66.1	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.8	165.4	-62.4	0	0	0	0	108.8	T399 K401 E408 P413	T399-T411 HydrophobicContact CG2-CG2 4.26Å; K401-T411 HydrophobicContact CG-CG2 4.39Å; K401-T411 PolarHBondContact NZ-OG1 3.36Å; E408-T411 PolarHBondContact OE1-OG1 3.01Å; T411-P413 VanDerWaalsContact O-CD 3.23Å; T411-P413 WeakPolarHBondContact O-CD 3Å
412	L	89.9	Confident	91.4	Very high	14 Å²	14	66 Å²	66	7%	0.073	32%	0.323	C	S	.	.			trans	-122.6	68.2	-164.9	-61.5	165.5	0	0	0	111.3	L343 V400 F410 H414 L415 Y424 P431	L343-L412 HydrophobicContact CD1-CD1 3.66Å; V400-L412 HydrophobicContact CG1-CB 4.47Å; V400-L412 PolarHBondContact O-N 3.13Å; F410-L412 HydrophobicContact CB-CD2 4.1Å; F410-L412 HydrophobicContact CB-CG 4.19Å; L412-H414 PolarHBondContact O-N 3.17Å; L412-H414 VanDerWaalsContact O-N 3.09Å; L412-L415 HydrophobicContact CB-CB 3.91Å; L412-L415 HydrophobicContact CB-CD2 4.23Å; L412-L415 HydrophobicContact CD1-CD2 3.83Å; L412-L415 PolarHBondContact O-N 3.48Å; L412-L415 VanDerWaalsContact O-N 3.17Å; L412-Y424 HydrophobicContact CD1-CD1 3.94Å; L412-Y424 HydrophobicContact CD1-CD2 4.48Å; L412-Y424 HydrophobicContact CD1-CE1 3.38Å; L412-Y424 HydrophobicContact CD1-CE2 4Å; L412-Y424 HydrophobicContact CD1-CG 4.46Å; L412-Y424 VanDerWaalsContact CD1-CZ 3.43Å; L412-Y424 HydrophobicContact CD2-CE2 3.96Å; L412-P431 HydrophobicContact CD2-CB 4.25Å; L412-P431 HydrophobicContact CD2-CG 4.41Å
413	P	77.4	Confident	91.2	Very high	61 Å²	61	72.3 Å²	72.3	40%	0.396	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20	-170	27.3	-35.6	0	0	0	114.4	T411 R416	T411-P413 VanDerWaalsContact O-CD 3.23Å; T411-P413 WeakPolarHBondContact O-CD 3Å; P413-R416 PolarHBondContact O-NE 3.44Å
414	H	82.8	Confident	90.9	Very high	165 Å²	165	73.6 Å²	73.6	76%	0.764	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.7	-177.7	-56.6	-56.1	0	0	0	113.8	L412 R416	L412-H414 PolarHBondContact O-N 3.17Å; L412-H414 VanDerWaalsContact O-N 3.09Å; H414-R416 PolarHBondContact O-N 2.81Å
415	L	88.8	Confident	90.8	Very high	17 Å²	17	70 Å²	70	9%	0.089	34%	0.341	C	S	.	.			trans	-85.2	92.9	-176.4	-167.6	63.1	0	0	0	109.9	L343 M357 L412 K420 I421 Y424	L343-L415 HydrophobicContact CD1-CD2 4.11Å; L343-L415 HydrophobicContact CD2-CD2 3.73Å; M357-L415 WeakPolarHBondContact CE-O 3.47Å; L412-L415 HydrophobicContact CB-CB 3.91Å; L412-L415 HydrophobicContact CB-CD2 4.23Å; L412-L415 HydrophobicContact CD1-CD2 3.83Å; L412-L415 PolarHBondContact O-N 3.48Å; L412-L415 VanDerWaalsContact O-N 3.17Å; L415-K420 VanDerWaalsContact CD1-C 3.44Å; L415-K420 HydrophobicContact CD1-CB 3.6Å; L415-K420 WeakPolarHBondContact CD1-O 3.22Å; L415-I421 HydrophobicContact CD1-CG1 4.18Å; L415-I421 HydrophobicContact CD2-CG1 4.38Å; L415-I421 HydrophobicContact CG-CG1 3.82Å; L415-Y424 HydrophobicContact CD2-CD1 3.99Å; L415-Y424 HydrophobicContact CD2-CG 3.95Å
416	R	89.3	Confident	90.6	Very high	109 Å²	109	67.3 Å²	67.3	41%	0.411	33%	0.331	S	S	.	.			trans	-134.9	-7.8	-170.8	-62.3	-170	178.8	159.9	-3.1	116.2	M357 P413 H414	M357-R416 HydrophobicContact CG-CB 4.41Å; M357-R416 HydrophobicContact SD-CB 4.17Å; M357-R416 HydrophobicContact SD-CG 3.9Å; P413-R416 PolarHBondContact O-NE 3.44Å; H414-R416 PolarHBondContact O-N 2.81Å
417	S	92.8	Very high	90.4	Very high	39 Å²	39	70.4 Å²	70.4	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-112.7	146	-179	56.6	0	0	0	0	110	D419 K420 I421	S417-D419 PolarHBondContact O-N 3.37Å; S417-K420 PolarHBondContact O-N 3.15Å; S417-K420 WeakPolarHBondContact OG-CD 3.44Å; S417-K420 WeakPolarHBondContact OG-CG 3.44Å; S417-I421 WeakPolarHBondContact O-CG1 3.46Å; S417-I421 PolarHBondContact O-N 3.05Å; S417-I421 VanDerWaalsContact O-N 3.11Å
418	K	93.8	Very high	90.1	Very high	59 Å²	59	67 Å²	67	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-46.6	-56.5	-177.5	178.5	175.2	82.9	-171.3	0	113	E360 E363 A364 K420 I421 I422	E360-K418 WeakPolarHBondContact OE2-CB 3.39Å; E360-K418 PolarHBondContact OE2-N 3.25Å; E363-K418 HydrophobicContact CB-CD 3.54Å; E363-K418 HydrophobicContact CB-CG 4.42Å; E363-K418 WeakPolarHBondContact OE2-CD 3.42Å; E363-K418 IonicContact OE2-NZ 3.97Å; E363-K418 PolarHBondContact OE2-NZ 3.48Å; A364-K418 HydrophobicContact CB-CG 4.03Å; K418-K420 VanDerWaalsContact C-N 3.27Å; K418-K420 PolarHBondContact O-N 3.28Å; K418-I421 WeakPolarHBondContact O-CB 3.35Å; K418-I421 PolarHBondContact O-N 3.41Å; K418-I422 HydrophobicContact CD-CD1 4.28Å; K418-I422 HydrophobicContact CG-CD1 3.64Å; K418-I422 HydrophobicContact CG-CG1 4.44Å; K418-I422 WeakPolarHBondContact O-CG1 3.38Å; K418-I422 PolarHBondContact O-N 2.91Å
419	D	92.6	Very high	89.5	Confident	116 Å²	116	68.8 Å²	68.8	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-39.3	-172.8	-58.6	-24.9	0	0	0	112.4	S417 I422 E423	S417-D419 PolarHBondContact O-N 3.37Å; D419-I422 PolarHBondContact O-N 2.98Å; D419-E423 VanDerWaalsContact O-CB 3.31Å; D419-E423 WeakPolarHBondContact O-CB 3.32Å; D419-E423 PolarHBondContact O-N 2.93Å
420	K	92.4	Very high	88.8	Confident	118 Å²	118	68.2 Å²	68.2	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-37.3	178.8	-65.3	-174.2	179.5	-174.3	0	111.9	L415 S417 K418 I422 Y424	L415-K420 VanDerWaalsContact CD1-C 3.44Å; L415-K420 HydrophobicContact CD1-CB 3.6Å; L415-K420 WeakPolarHBondContact CD1-O 3.22Å; S417-K420 PolarHBondContact O-N 3.15Å; S417-K420 WeakPolarHBondContact OG-CD 3.44Å; S417-K420 WeakPolarHBondContact OG-CG 3.44Å; K418-K420 VanDerWaalsContact C-N 3.27Å; K418-K420 PolarHBondContact O-N 3.28Å; K420-I422 VanDerWaalsContact C-N 3.34Å; K420-Y424 VanDerWaalsContact O-CB 3.22Å; K420-Y424 WeakPolarHBondContact O-CB 3.31Å; K420-Y424 PolarHBondContact O-N 3.01Å
421	I	95	Very high	87.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-45.7	176.6	-68	158.3	0	0	0	109.7	L343 M357 Y361 A364 L377 L415 S417 K418 Y424 L425	L343-I421 HydrophobicContact CD2-CG2 3.83Å; M357-I421 HydrophobicContact CE-CD1 4.41Å; Y361-I421 HydrophobicContact CD2-CD1 3.7Å; Y361-I421 HydrophobicContact CE2-CD1 4.3Å; A364-I421 HydrophobicContact CB-CB 4.15Å; A364-I421 HydrophobicContact CB-CD1 4.45Å; A364-I421 HydrophobicContact CB-CG2 3.86Å; L377-I421 HydrophobicContact CD1-CG2 3.85Å; L377-I421 HydrophobicContact CD2-CG2 3.88Å; L415-I421 HydrophobicContact CD1-CG1 4.18Å; L415-I421 HydrophobicContact CD2-CG1 4.38Å; L415-I421 HydrophobicContact CG-CG1 3.82Å; S417-I421 WeakPolarHBondContact O-CG1 3.46Å; S417-I421 PolarHBondContact O-N 3.05Å; S417-I421 VanDerWaalsContact O-N 3.11Å; K418-I421 WeakPolarHBondContact O-CB 3.35Å; K418-I421 PolarHBondContact O-N 3.41Å; I421-Y424 PolarHBondContact O-N 2.91Å; I421-L425 HydrophobicContact CG2-CD1 4.4Å; I421-L425 PolarHBondContact O-N 2.81Å
422	I	92.7	Very high	86.7	Confident	15 Å²	15	70.5 Å²	70.5	8%	0.077	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-52.6	177.2	-65.8	167.1	0	0	0	110.5	A364 Y367 K418 D419 K420 Y424 L425 Q426	A364-I422 HydrophobicContact CB-CG1 4.2Å; Y367-I422 HydrophobicContact CD1-CD1 3.54Å; Y367-I422 HydrophobicContact CD1-CG1 3.89Å; Y367-I422 HydrophobicContact CD1-CG2 3.83Å; Y367-I422 HydrophobicContact CD2-CD1 4.47Å; Y367-I422 HydrophobicContact CE1-CD1 4.14Å; Y367-I422 HydrophobicContact CE1-CG1 4.5Å; Y367-I422 HydrophobicContact CE1-CG2 3.6Å; Y367-I422 HydrophobicContact CG-CD1 3.73Å; Y367-I422 HydrophobicContact CG-CG1 4.48Å; K418-I422 HydrophobicContact CD-CD1 4.28Å; K418-I422 HydrophobicContact CG-CD1 3.64Å; K418-I422 HydrophobicContact CG-CG1 4.44Å; K418-I422 WeakPolarHBondContact O-CG1 3.38Å; K418-I422 PolarHBondContact O-N 2.91Å; D419-I422 PolarHBondContact O-N 2.98Å; K420-I422 VanDerWaalsContact C-N 3.34Å; I422-Y424 VanDerWaalsContact C-N 3.26Å; I422-Y424 PolarHBondContact O-N 3.25Å; I422-L425 PolarHBondContact O-N 2.59Å; I422-Q426 HydrophobicContact CG2-CG 4.37Å; I422-Q426 VanDerWaalsContact O-CG 3.32Å; I422-Q426 WeakPolarHBondContact O-CG 3.45Å; I422-Q426 PolarHBondContact O-N 2.77Å
423	E	90.8	Very high	85.6	Confident	134 Å²	134	75.2 Å²	75.2	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-54.6	-44.4	178.6	-177.8	-174.8	-177.6	0	0	111.4	D419 Q426 N427	D419-E423 VanDerWaalsContact O-CB 3.31Å; D419-E423 WeakPolarHBondContact O-CB 3.32Å; D419-E423 PolarHBondContact O-N 2.93Å; E423-Q426 PolarHBondContact O-N 3.35Å; E423-N427 PolarHBondContact O-N 3.48Å
424	Y	91.8	Very high	84.9	Confident	29 Å²	29	78.1 Å²	78.1	11%	0.114	42%	0.418	C	S	.	.	H	α-helix	trans	-64	-45.7	179.2	-175.5	-94.7	0	0	0	112.6	L343 Y402 F410 L412 L415 K420 I421 I422 Q426 N427 P428 Q429	L343-Y424 HydrophobicContact CD1-CD1 4.5Å; L343-Y424 HydrophobicContact CD1-CE1 4.44Å; Y402-Y424 HydrophobicContact CD1-CE1 4.27Å; Y402-Y424 AromaticContact CD2-CE1 3.91Å; Y402-Y424 HydrophobicContact CD2-CE1 3.91Å; Y402-Y424 AromaticContact CG-CE1 3.77Å; Y402-Y424 HydrophobicContact CG-CE1 3.77Å; F410-Y424 WeakPolarHBondContact CD2-OH 3.48Å; L412-Y424 HydrophobicContact CD1-CD1 3.94Å; L412-Y424 HydrophobicContact CD1-CD2 4.48Å; L412-Y424 HydrophobicContact CD1-CE1 3.38Å; L412-Y424 HydrophobicContact CD1-CE2 4Å; L412-Y424 HydrophobicContact CD1-CG 4.46Å; L412-Y424 VanDerWaalsContact CD1-CZ 3.43Å; L412-Y424 HydrophobicContact CD2-CE2 3.96Å; L415-Y424 HydrophobicContact CD2-CD1 3.99Å; L415-Y424 HydrophobicContact CD2-CG 3.95Å; K420-Y424 VanDerWaalsContact O-CB 3.22Å; K420-Y424 WeakPolarHBondContact O-CB 3.31Å; K420-Y424 PolarHBondContact O-N 3.01Å; I421-Y424 PolarHBondContact O-N 2.91Å; I422-Y424 VanDerWaalsContact C-N 3.26Å; I422-Y424 PolarHBondContact O-N 3.25Å; Y424-Q426 VanDerWaalsContact C-N 3.33Å; Y424-Q426 PolarHBondContact O-N 2.66Å; Y424-N427 CarbonylContact O-C 3.52Å; Y424-N427 PolarHBondContact O-N 2.99Å; Y424-P428 HydrophobicContact CE1-CB 4.34Å; Y424-P428 WeakPolarHBondContact O-CA 3.36Å; Y424-P428 WeakPolarHBondContact O-CD 3.3Å; Y424-Q429 VanDerWaalsContact CE2-O 3.28Å; Y424-Q429 WeakPolarHBondContact CE2-O 3.35Å; Y424-Q429 PolarHBondContact OH-O 3.38Å
425	L	91.3	Very high	84.1	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	42%	0.415	C	S	.	.	H	α-helix	trans	-73.7	-24.2	-178.6	-80.1	176.4	0	0	0	113.7	L343 L368 L377 Y402 I421 I422 N427	L343-L425 HydrophobicContact CB-CD1 4.16Å; L343-L425 HydrophobicContact CB-CD2 4.19Å; L343-L425 HydrophobicContact CB-CG 4.47Å; L368-L425 HydrophobicContact CD1-CD1 3.47Å; L368-L425 VanDerWaalsContact CD1-CD1 3.47Å; L368-L425 HydrophobicContact CD2-CB 4.28Å; L377-L425 HydrophobicContact CD2-CD1 3.4Å; L377-L425 HydrophobicContact CG-CD1 4.26Å; Y402-L425 HydrophobicContact CD2-CD2 4.02Å; Y402-L425 HydrophobicContact CE2-CD2 3.7Å; I421-L425 HydrophobicContact CG2-CD1 4.4Å; I421-L425 PolarHBondContact O-N 2.81Å; I422-L425 PolarHBondContact O-N 2.59Å; L425-N427 VanDerWaalsContact C-N 3.33Å
426	Q	87.9	Confident	83.3	Confident	116 Å²	116	82.7 Å²	82.7	54%	0.542	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-31.6	171.7	-73.9	174.8	-14.4	0	0	112.3	I422 E423 Y424	I422-Q426 HydrophobicContact CG2-CG 4.37Å; I422-Q426 VanDerWaalsContact O-CG 3.32Å; I422-Q426 WeakPolarHBondContact O-CG 3.45Å; I422-Q426 PolarHBondContact O-N 2.77Å; E423-Q426 PolarHBondContact O-N 3.35Å; Y424-Q426 VanDerWaalsContact C-N 3.33Å; Y424-Q426 PolarHBondContact O-N 2.66Å
427	N	87.3	Confident	83	Confident	96 Å²	96	79.7 Å²	79.7	51%	0.513	44%	0.435	S	S	.	.	S	Bend	trans	-144	78.2	178.3	-179.9	25.9	0	0	0	110.5	E423 Y424 L425 Q429	E423-N427 PolarHBondContact O-N 3.48Å; Y424-N427 CarbonylContact O-C 3.52Å; Y424-N427 PolarHBondContact O-N 2.99Å; L425-N427 VanDerWaalsContact C-N 3.33Å; N427-Q429 PolarHBondContact ND2-NE2 3.49Å; N427-Q429 PolarHBondContact O-N 3.43Å; N427-Q429 PolarHBondContact OD1-NE2 3.15Å
428	P	86.6	Confident	82.9	Confident	46 Å²	46	79.1 Å²	79.1	30%	0.299	43%	0.427	S	S	.	.			trans	-66.1	107.8	-177.7	-21	33.2	0	0	0	110.4	Y402 Y424	Y402-P428 HydrophobicContact CD1-CB 4.48Å; Y402-P428 HydrophobicContact CE1-CB 3.72Å; Y402-P428 HydrophobicContact CE1-CG 4.41Å; Y402-P428 HydrophobicContact CE2-CB 4.33Å; Y402-P428 HydrophobicContact CE2-CG 4.31Å; Y402-P428 WeakPolarHBondContact OH-CG 3.31Å; Y424-P428 HydrophobicContact CE1-CB 4.34Å; Y424-P428 WeakPolarHBondContact O-CA 3.36Å; Y424-P428 WeakPolarHBondContact O-CD 3.3Å
429	Q	82.9	Confident	82.5	Confident	116 Å²	116	78.6 Å²	78.6	54%	0.542	43%	0.425	S	S	.	.			trans	-114	159.1	174.9	-64.7	-168.3	-2.8	0	0	110.2	Y424 N427	Y424-Q429 VanDerWaalsContact CE2-O 3.28Å; Y424-Q429 WeakPolarHBondContact CE2-O 3.35Å; Y424-Q429 PolarHBondContact OH-O 3.38Å; N427-Q429 PolarHBondContact ND2-NE2 3.49Å; N427-Q429 PolarHBondContact O-N 3.43Å; N427-Q429 PolarHBondContact OD1-NE2 3.15Å
430	A	77.2	Confident	82.2	Confident	64 Å²	64	78.1 Å²	78.1	53%	0.529	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-54.4	135.5	166.4	0	0	0	0	0	108.2	F410	F410-A430 HydrophobicContact CD1-CB 4.49Å; F410-A430 HydrophobicContact CE1-CB 3.62Å; F410-A430 HydrophobicContact CZ-CB 3.71Å
431	P	71.8	Confident	82	Confident	53 Å²	53	76.5 Å²	76.5	34%	0.344	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-53.7	142	170.8	24.6	-31.8	0	0	0	107.4	F410 L412	F410-P431 HydrophobicContact CD1-CG 4.27Å; L412-P431 HydrophobicContact CD2-CB 4.25Å; L412-P431 HydrophobicContact CD2-CG 4.41Å
432	P	66.7	Low	81.7	Confident	111 Å²	111	82.9 Å²	82.9	72%	0.721	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-51.4	140	175.7	22.7	-32.3	0	0	0	107.8
433	P	65.8	Low	81.7	Confident	113 Å²	113	83.9 Å²	83.9	73%	0.734	47%	0.465	S	S	*	.			trans	-46	140.1	172.9	-25.8	32.8	0	0	0	108.5	E435	P433-E435 PolarHBondContact O-N 3.04Å
434	P	62.1	Low	81.8	Confident	123 Å²	123	78.5 Å²	78.5	80%	0.799	45%	0.445	S	S	*	.			trans	-44.2	124.8	176.5	-25.9	32.3	0	0	0	108.4	Q436	P434-Q436 PolarHBondContact O-N 3.5Å
435	E	66.1	Low	82.1	Confident	150 Å²	150	77.6 Å²	77.6	70%	0.701	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-51.1	120.7	-179.7	-171.2	-176.1	171.6	0	0	107	P433 S437 K441	P433-E435 PolarHBondContact O-N 3.04Å; E435-S437 PolarHBondContact O-N 2.79Å; E435-K441 IonicContact OE1-NZ 3.07Å
436	Q	72.5	Confident	82.3	Confident	128 Å²	128	79.6 Å²	79.6	60%	0.598	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-51.4	131.3	179.7	-80.9	179.7	-7.1	0	0	108	P434 D440 K441	P434-Q436 PolarHBondContact O-N 3.5Å; Q436-D440 HydrophobicContact CB-CB 4.38Å; Q436-K441 WeakPolarHBondContact O-CE 3.3Å
437	S	83.5	Confident	82.7	Confident	46 Å²	46	76.1 Å²	76.1	32%	0.322	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.8	151.2	179.9	79.9	0	0	0	0	108.2	E435 E439 D440	E435-S437 PolarHBondContact O-N 2.79Å; S437-E439 PolarHBondContact O-N 3.12Å; S437-E439 VanDerWaalsContact O-N 3.09Å; S437-E439 PolarHBondContact OG-N 3.23Å; S437-D440 VanDerWaalsContact CB-OD2 3.3Å; S437-D440 WeakPolarHBondContact CB-OD2 3.3Å; S437-D440 PolarHBondContact N-OD2 2.88Å; S437-D440 PolarHBondContact O-N 3.09Å; S437-D440 PolarHBondContact OG-N 2.86Å; S437-D440 PolarHBondContact OG-OD2 3.35Å
438	W	89.4	Confident	83.1	Confident	26 Å²	26	72.2 Å²	72.2	10%	0.098	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-55	-30.9	177.1	178.8	31.3	0	0	0	111.5	D440 K441 V445 H447 M466 Y468 V479 F482 T483 A499	W438-D440 VanDerWaalsContact C-N 3.3Å; W438-D440 PolarHBondContact O-N 2.94Å; W438-K441 PolarHBondContact O-N 2.86Å; W438-V445 HydrophobicContact CH2-CG1 4.21Å; W438-V445 HydrophobicContact CZ2-CB 4.38Å; W438-V445 HydrophobicContact CZ2-CG1 4.02Å; W438-V445 HydrophobicContact CZ2-CG2 3.95Å; W438-H447 AromaticContact CD2-CE1 3.58Å; W438-H447 AromaticContact CD2-NE2 3.98Å; W438-H447 AromaticContact CE3-CE1 3.61Å; W438-H447 AromaticContact CG-CE1 3.93Å; W438-M466 HydrophobicContact CH2-SD 3.75Å; W438-M466 HydrophobicContact CZ3-SD 4.04Å; W438-Y468 HydrophobicContact CE3-CD1 4.34Å; W438-Y468 HydrophobicContact CE3-CD2 4.37Å; W438-Y468 AromaticContact CE3-CE1 3.83Å; W438-Y468 HydrophobicContact CE3-CE1 3.83Å; W438-Y468 AromaticContact CE3-CE2 3.85Å; W438-Y468 HydrophobicContact CE3-CE2 3.85Å; W438-Y468 AromaticContact CE3-CZ 3.57Å; W438-Y468 AromaticContact CZ3-CD1 3.9Å; W438-Y468 HydrophobicContact CZ3-CD1 3.9Å; W438-Y468 HydrophobicContact CZ3-CD2 4.45Å; W438-Y468 AromaticContact CZ3-CE1 3.75Å; W438-Y468 HydrophobicContact CZ3-CE1 3.75Å; W438-Y468 HydrophobicContact CZ3-CE2 4.3Å; W438-Y468 HydrophobicContact CZ3-CG 4.27Å; W438-Y468 AromaticContact CZ3-CZ 3.98Å; W438-V479 HydrophobicContact CD2-CB 4.48Å; W438-V479 HydrophobicContact CD2-CG1 3.83Å; W438-V479 HydrophobicContact CD2-CG2 3.86Å; W438-V479 HydrophobicContact CE3-CG2 3.73Å; W438-V479 HydrophobicContact CG-CG1 3.92Å; W438-V479 HydrophobicContact CH2-CG2 4.07Å; W438-V479 HydrophobicContact CZ2-CB 4.47Å; W438-V479 HydrophobicContact CZ2-CG1 4.14Å; W438-V479 HydrophobicContact CZ2-CG2 4.18Å; W438-V479 HydrophobicContact CZ3-CG2 3.85Å; W438-F482 AromaticContact CH2-CD1 3.97Å; W438-F482 HydrophobicContact CH2-CD1 3.97Å; W438-F482 HydrophobicContact CZ2-CD1 4.18Å; W438-T483 PolarHBondContact NE1-OG1 2.84Å; W438-T483 VanDerWaalsContact NE1-OG1 3.07Å; W438-A499 HydrophobicContact CE3-CB 4.25Å; W438-A499 HydrophobicContact CH2-CB 3.58Å; W438-A499 HydrophobicContact CZ2-CB 4.46Å; W438-A499 HydrophobicContact CZ3-CB 3.44Å; W438-A499 VanDerWaalsContact CZ3-CB 3.44Å
439	E	87.1	Confident	83.3	Confident	48 Å²	48	70.9 Å²	70.9	22%	0.224	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-67.3	-28.2	177.8	-26.3	-161	126.3	0	0	113.1	S437 K441 H447 Y468 K504	S437-E439 PolarHBondContact O-N 3.12Å; S437-E439 VanDerWaalsContact O-N 3.09Å; S437-E439 PolarHBondContact OG-N 3.23Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-H447 HydrophobicContact CB-CB 4.13Å; E439-H447 HydrophobicContact CG-CB 4.46Å; E439-H447 VanDerWaalsContact CG-ND1 3.3Å; E439-H447 WeakPolarHBondContact CG-ND1 3.45Å; E439-H447 IonicContact OE1-ND1 2.85Å; E439-H447 PolarHBondContact OE1-ND1 3.33Å; E439-Y468 PolarHBondContact OE1-OH 3.17Å; E439-K504 IonicContact OE2-NZ 3.55Å; E439-K504 PolarHBondContact OE2-NZ 2.93Å
440	D	85.8	Confident	83.6	Confident	106 Å²	106	68.7 Å²	68.7	57%	0.567	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-83.3	-12	179.6	-56.6	-47.4	0	0	0	112.4	Q436 S437 W438	Q436-D440 HydrophobicContact CB-CB 4.38Å; S437-D440 VanDerWaalsContact CB-OD2 3.3Å; S437-D440 WeakPolarHBondContact CB-OD2 3.3Å; S437-D440 PolarHBondContact N-OD2 2.88Å; S437-D440 PolarHBondContact O-N 3.09Å; S437-D440 PolarHBondContact OG-N 2.86Å; S437-D440 PolarHBondContact OG-OD2 3.35Å; W438-D440 VanDerWaalsContact C-N 3.3Å; W438-D440 PolarHBondContact O-N 2.94Å
441	K	87.7	Confident	84.2	Confident	85 Å²	85	74 Å²	74	37%	0.37	42%	0.419	S	S	.	.	S	Bend	trans	-84.5	123.1	179.6	-64.6	178.4	-173.9	174.2	0	109.4	E435 Q436 W438 E439 S443	E435-K441 IonicContact OE1-NZ 3.07Å; Q436-K441 WeakPolarHBondContact O-CE 3.3Å; W438-K441 PolarHBondContact O-N 2.86Å; E439-K441 VanDerWaalsContact C-N 3.33Å; K441-S443 PolarHBondContact O-N 2.89Å; K441-S443 VanDerWaalsContact O-N 3.14Å
442	P	87.8	Confident	85.2	Confident	133 Å²	133	74.4 Å²	74.4	86%	0.864	42%	0.418	S	S	*	.			trans	-56.6	120.9	177.3	-24.3	33.1	0	0	0	111.4
443	S	93.8	Very high	86.5	Confident	37 Å²	37	69.3 Å²	69.3	26%	0.259	39%	0.385	S	S	.	.	S	Bend	trans	-156.9	169.2	176.5	70.5	0	0	0	0	112.3	K441 V445 T483	K441-S443 PolarHBondContact O-N 2.89Å; K441-S443 VanDerWaalsContact O-N 3.14Å; S443-V445 PolarHBondContact O-N 2.95Å; S443-V445 WeakPolarHBondContact OG-CB 3.35Å; S443-V445 PolarHBondContact OG-N 3.19Å; S443-T483 VanDerWaalsContact CB-CG2 3.49Å
444	G	93.4	Very high	87.8	Confident	20 Å²	20	71 Å²	71	21%	0.206	38%	0.376	C	S	.	.	S	Bend	trans	-72.1	-1.7	171.3	0	0	0	0	0	114.4	D487	G444-D487 WeakPolarHBondContact CA-OD1 3.38Å; G444-D487 PolarHBondContact N-OD1 2.96Å
445	V	97.3	Very high	89.3	Confident	11 Å²	11	69.8 Å²	69.8	7%	0.067	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.9	178.3	-176.1	0	0	0	0	109.4	W438 S443 H447 F482 T483 A486 A499	W438-V445 HydrophobicContact CH2-CG1 4.21Å; W438-V445 HydrophobicContact CZ2-CB 4.38Å; W438-V445 HydrophobicContact CZ2-CG1 4.02Å; W438-V445 HydrophobicContact CZ2-CG2 3.95Å; S443-V445 PolarHBondContact O-N 2.95Å; S443-V445 WeakPolarHBondContact OG-CB 3.35Å; S443-V445 PolarHBondContact OG-N 3.19Å; V445-H447 PolarHBondContact O-N 3.48Å; V445-F482 HydrophobicContact CG1-CD1 4.46Å; V445-F482 HydrophobicContact CG1-CE1 4.25Å; V445-F482 HydrophobicContact CG2-CD1 4.2Å; V445-T483 HydrophobicContact CG2-CG2 4.39Å; V445-A486 HydrophobicContact CB-CB 4.34Å; V445-A486 HydrophobicContact CG2-CB 3.42Å; V445-A486 VanDerWaalsContact CG2-CB 3.42Å; V445-A499 HydrophobicContact CG1-CB 3.58Å
446	S	96.1	Very high	90.7	Very high	44 Å²	44	64.5 Å²	64.5	31%	0.308	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.9	173.1	-58	0	0	0	0	109.9	L448 Y497 V498 A499	S446-L448 PolarHBondContact O-N 2.71Å; S446-Y497 PolarHBondContact N-O 2.98Å; S446-V498 CarbonylContact O-C 3.53Å; S446-V498 VanDerWaalsContact O-CA 3.23Å; S446-V498 WeakPolarHBondContact O-CA 3.11Å; S446-A499 PolarHBondContact O-N 3.2Å
447	H	95.9	Very high	91.8	Very high	43 Å²	43	58.5 Å²	58.5	20%	0.199	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.1	174	-71.9	-98	0	0	0	109.6	W438 E439 V445 A499	W438-H447 AromaticContact CD2-CE1 3.58Å; W438-H447 AromaticContact CD2-NE2 3.98Å; W438-H447 AromaticContact CE3-CE1 3.61Å; W438-H447 AromaticContact CG-CE1 3.93Å; E439-H447 HydrophobicContact CB-CB 4.13Å; E439-H447 HydrophobicContact CG-CB 4.46Å; E439-H447 VanDerWaalsContact CG-ND1 3.3Å; E439-H447 WeakPolarHBondContact CG-ND1 3.45Å; E439-H447 IonicContact OE1-ND1 2.85Å; E439-H447 PolarHBondContact OE1-ND1 3.33Å; V445-H447 PolarHBondContact O-N 3.48Å; H447-A499 WeakPolarHBondContact CA-O 3.42Å
448	L	95.2	Very high	92.4	Very high	14 Å²	14	61.7 Å²	61.7	7%	0.073	32%	0.318	C	S	.	.			trans	-120.3	150.8	-175.1	-58.7	-177	0	0	0	110.8	S446 D452 F453 V456 V498 A499	S446-L448 PolarHBondContact O-N 2.71Å; L448-D452 WeakPolarHBondContact CA-OD1 3.25Å; L448-D452 WeakPolarHBondContact CB-OD1 3.37Å; L448-D452 HydrophobicContact CD2-CB 4.48Å; L448-D452 WeakPolarHBondContact CD2-OD2 3.45Å; L448-F453 HydrophobicContact CB-CD2 4.36Å; L448-V456 HydrophobicContact CD1-CB 3.7Å; L448-V456 HydrophobicContact CD1-CG1 3.75Å; L448-V456 HydrophobicContact CD1-CG2 4.25Å; L448-V456 HydrophobicContact CD2-CB 4.27Å; L448-V456 HydrophobicContact CD2-CG1 4.33Å; L448-V456 HydrophobicContact CD2-CG2 3.92Å; L448-V498 HydrophobicContact CB-CG1 4.06Å; L448-V498 HydrophobicContact CD1-CB 4.46Å; L448-V498 HydrophobicContact CD1-CG1 3.59Å; L448-V498 HydrophobicContact CD1-CG2 3.99Å; L448-V498 HydrophobicContact CG-CG1 3.82Å; L448-A499 PolarHBondContact N-O 3.01Å
449	G	91.7	Very high	92.7	Very high	17 Å²	17	68 Å²	68	18%	0.175	35%	0.346	C	S	.	.			trans	-120.9	-173.1	173.7	0	0	0	0	0	112.4	E451 D452 F453 N507	G449-E451 PolarHBondContact O-N 3.21Å; G449-E451 VanDerWaalsContact O-N 3.12Å; G449-D452 PolarHBondContact N-OD1 2.64Å; G449-D452 PolarHBondContact O-N 2.98Å; G449-F453 WeakPolarHBondContact O-CB 3.23Å; G449-F453 PolarHBondContact O-N 3.41Å; G449-N507 WeakPolarHBondContact CA-OD1 3.46Å
450	M	88.8	Confident	93.1	Very high	71 Å²	71	68 Å²	68	35%	0.35	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.4	-176.5	-171.8	168.3	-173.2	0	0	114.2	Q506 N507 E509 L510	M450-Q506 HydrophobicContact CB-CB 4.23Å; M450-Q506 HydrophobicContact SD-CB 3.93Å; M450-N507 PolarHBondContact N-OD1 3.05Å; M450-N507 VanDerWaalsContact N-OD1 3.09Å; M450-E509 HydrophobicContact CE-CG 4.46Å; M450-L510 HydrophobicContact CB-CB 4.5Å
451	E	89.6	Confident	93.6	Very high	174 Å²	174	64.9 Å²	64.9	81%	0.813	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-36.3	-173.3	-60.7	-178.6	-176.8	0	0	113.5	G449	G449-E451 PolarHBondContact O-N 3.21Å; G449-E451 VanDerWaalsContact O-N 3.12Å
452	D	92.9	Very high	94.1	Very high	63 Å²	63	61 Å²	61	34%	0.337	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-16.5	-171.8	60.9	0.2	0	0	0	113.8	L448 G449 R454 E455 V456	L448-D452 WeakPolarHBondContact CA-OD1 3.25Å; L448-D452 WeakPolarHBondContact CB-OD1 3.37Å; L448-D452 HydrophobicContact CD2-CB 4.48Å; L448-D452 WeakPolarHBondContact CD2-OD2 3.45Å; G449-D452 PolarHBondContact N-OD1 2.64Å; G449-D452 PolarHBondContact O-N 2.98Å; D452-R454 PolarHBondContact O-N 3Å; D452-E455 PolarHBondContact O-N 3.38Å; D452-V456 HydrophobicContact CB-CG2 4.34Å; D452-V456 WeakPolarHBondContact O-CG2 3.42Å; D452-V456 PolarHBondContact O-N 2.93Å
453	F	94.8	Very high	94.6	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-47	-56.4	-177.8	-175.2	-103.9	0	0	0	113	L448 G449 L457 V465 F467 V498 V500 L510 E514 Y525	L448-F453 HydrophobicContact CB-CD2 4.36Å; G449-F453 WeakPolarHBondContact O-CB 3.23Å; G449-F453 PolarHBondContact O-N 3.41Å; F453-L457 HydrophobicContact CD1-CD1 3.95Å; F453-L457 HydrophobicContact CD2-CD1 4.11Å; F453-L457 HydrophobicContact CE1-CD1 3.53Å; F453-L457 HydrophobicContact CE2-CD1 3.69Å; F453-L457 HydrophobicContact CG-CD1 4.22Å; F453-L457 HydrophobicContact CZ-CD1 3.38Å; F453-L457 WeakPolarHBondContact O-CB 3.45Å; F453-L457 WeakPolarHBondContact O-CG 3.29Å; F453-L457 PolarHBondContact O-N 2.81Å; F453-L457 VanDerWaalsContact O-N 3.16Å; F453-V465 HydrophobicContact CE2-CG1 3.71Å; F453-V465 HydrophobicContact CE2-CG2 4.11Å; F453-V465 HydrophobicContact CZ-CG1 4.16Å; F453-V465 HydrophobicContact CZ-CG2 4.27Å; F453-F467 HydrophobicContact CE2-CE1 4.31Å; F453-F467 HydrophobicContact CE2-CZ 4.13Å; F453-F467 HydrophobicContact CZ-CE1 4.28Å; F453-F467 AromaticContact CZ-CZ 3.77Å; F453-F467 HydrophobicContact CZ-CZ 3.77Å; F453-V498 HydrophobicContact CE2-CG1 4.43Å; F453-V500 HydrophobicContact CD2-CG2 3.81Å; F453-V500 HydrophobicContact CE2-CG2 3.75Å; F453-L510 HydrophobicContact CB-CD2 3.93Å; F453-L510 HydrophobicContact CD1-CD1 3.72Å; F453-L510 HydrophobicContact CD1-CD2 4.27Å; F453-L510 HydrophobicContact CD2-CD2 3.97Å; F453-L510 HydrophobicContact CE1-CD1 4.06Å; F453-L510 HydrophobicContact CG-CD1 4.13Å; F453-L510 HydrophobicContact CG-CD2 3.81Å; F453-E514 HydrophobicContact CE1-CG 4.27Å; F453-E514 HydrophobicContact CZ-CG 4.48Å; F453-Y525 HydrophobicContact CE1-CE1 4.49Å; F453-Y525 HydrophobicContact CZ-CE1 4.47Å; F453-Y525 HydrophobicContact CZ-CE2 4.27Å; F453-Y525 AromaticContact CZ-CZ 3.97Å
454	R	93.1	Very high	94.8	Very high	148 Å²	148	52.9 Å²	52.9	56%	0.558	26%	0.257	S	S	*	.	H	α-helix	trans	-68.5	-40.3	-175.6	-68.9	-173.5	176.9	167.3	3.6	112.7	D452 K458	D452-R454 PolarHBondContact O-N 3Å; R454-K458 VanDerWaalsContact O-CG 3.27Å; R454-K458 WeakPolarHBondContact O-CG 2.92Å; R454-K458 PolarHBondContact O-N 2.84Å
455	E	93.8	Very high	95	Very high	99 Å²	99	52 Å²	52	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-72.9	-35.1	-175	-68	-52.1	122.9	0	0	112.4	D452 K458	D452-E455 PolarHBondContact O-N 3.38Å; E455-K458 IonicContact OE1-NZ 3.96Å; E455-K458 PolarHBondContact OE1-NZ 3.36Å; E455-K458 IonicContact OE2-NZ 3.81Å
456	V	93.6	Very high	95.1	Very high	39 Å²	39	51.4 Å²	51.4	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-70.8	-46.4	174.6	175.2	0	0	0	0	110.6	L448 D452 K458 K459	L448-V456 HydrophobicContact CD1-CB 3.7Å; L448-V456 HydrophobicContact CD1-CG1 3.75Å; L448-V456 HydrophobicContact CD1-CG2 4.25Å; L448-V456 HydrophobicContact CD2-CB 4.27Å; L448-V456 HydrophobicContact CD2-CG1 4.33Å; L448-V456 HydrophobicContact CD2-CG2 3.92Å; D452-V456 HydrophobicContact CB-CG2 4.34Å; D452-V456 WeakPolarHBondContact O-CG2 3.42Å; D452-V456 PolarHBondContact O-N 2.93Å; V456-K458 VanDerWaalsContact C-N 3.31Å; V456-K458 PolarHBondContact O-N 3.28Å; V456-K459 WeakPolarHBondContact O-CB 3.42Å; V456-K459 PolarHBondContact O-N 3.18Å; V456-K459 VanDerWaalsContact O-N 3.08Å
457	L	96.6	Very high	95.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-32.9	-177.8	-67.2	-178	0	0	0	113.3	F453 K459 K460 A463 V465 V498 Y525 Y527 G528	F453-L457 HydrophobicContact CD1-CD1 3.95Å; F453-L457 HydrophobicContact CD2-CD1 4.11Å; F453-L457 HydrophobicContact CE1-CD1 3.53Å; F453-L457 HydrophobicContact CE2-CD1 3.69Å; F453-L457 HydrophobicContact CG-CD1 4.22Å; F453-L457 HydrophobicContact CZ-CD1 3.38Å; F453-L457 WeakPolarHBondContact O-CB 3.45Å; F453-L457 WeakPolarHBondContact O-CG 3.29Å; F453-L457 PolarHBondContact O-N 2.81Å; F453-L457 VanDerWaalsContact O-N 3.16Å; L457-K459 PolarHBondContact O-N 3.03Å; L457-K460 PolarHBondContact O-N 3.36Å; L457-K460 VanDerWaalsContact O-N 3.1Å; L457-K460 VanDerWaalsContact O-O 3.12Å; L457-A463 HydrophobicContact CD2-CB 3.3Å; L457-V465 HydrophobicContact CD1-CG2 4.15Å; L457-V465 HydrophobicContact CD2-CG2 4.01Å; L457-V498 HydrophobicContact CD2-CG2 3.93Å; L457-Y525 HydrophobicContact CD1-CD1 4.1Å; L457-Y525 HydrophobicContact CD1-CD2 4.23Å; L457-Y525 HydrophobicContact CD1-CE1 4.42Å; L457-Y525 HydrophobicContact CD1-CG 4.02Å; L457-Y527 CarbonylContact O-C 3.4Å; L457-G528 PolarHBondContact O-N 3.04Å
458	K	95.8	Very high	95.2	Very high	112 Å²	112	47.7 Å²	47.7	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-30.4	174.2	-78	170.1	-173.8	171.8	0	113.3	R454 E455 V456 K460	R454-K458 VanDerWaalsContact O-CG 3.27Å; R454-K458 WeakPolarHBondContact O-CG 2.92Å; R454-K458 PolarHBondContact O-N 2.84Å; E455-K458 IonicContact OE1-NZ 3.96Å; E455-K458 PolarHBondContact OE1-NZ 3.36Å; E455-K458 IonicContact OE2-NZ 3.81Å; V456-K458 VanDerWaalsContact C-N 3.31Å; V456-K458 PolarHBondContact O-N 3.28Å; K458-K460 VanDerWaalsContact C-N 3.3Å
459	K	95.9	Very high	95.1	Very high	159 Å²	159	47 Å²	47	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-10	-179.1	-61.9	173.1	-174	173.9	0	112.6	V456 L457	V456-K459 WeakPolarHBondContact O-CB 3.42Å; V456-K459 PolarHBondContact O-N 3.18Å; V456-K459 VanDerWaalsContact O-N 3.08Å; L457-K459 PolarHBondContact O-N 3.03Å
460	K	96	Very high	94.9	Very high	47 Å²	47	48.9 Å²	48.9	20%	0.204	23%	0.227	C	C	.	.			trans	-108.3	123.1	-174.3	-60.9	-63.2	-170.9	163.7	0	109.8	L457 K458 H462 A463 R493 I495 A496 Y527	L457-K460 PolarHBondContact O-N 3.36Å; L457-K460 VanDerWaalsContact O-N 3.1Å; L457-K460 VanDerWaalsContact O-O 3.12Å; K458-K460 VanDerWaalsContact C-N 3.3Å; K460-H462 VanDerWaalsContact C-N 3.33Å; K460-A463 HydrophobicContact CB-CB 4.28Å; K460-R493 WeakPolarHBondContact CD-O 3.36Å; K460-R493 PolarHBondContact NZ-O 3.05Å; K460-I495 PolarHBondContact NZ-O 3.06Å; K460-I495 VanDerWaalsContact NZ-O 3.15Å; K460-A496 HydrophobicContact CB-CB 4.24Å; K460-A496 HydrophobicContact CD-CB 3.88Å; K460-A496 HydrophobicContact CG-CB 3.71Å; K460-Y527 VanDerWaalsContact O-CA 3.26Å; K460-Y527 WeakPolarHBondContact O-CA 3.44Å; K460-Y527 PolarHBondContact O-N 3.43Å
461	K	96.5	Very high	94.6	Very high	41 Å²	41	53.6 Å²	53.6	18%	0.178	24%	0.241	C	C	.	.	S	Bend	trans	-65.3	-41.3	176.9	-175.9	171.5	-172.7	-174.6	0	110.9	K494 N526 Y527 D554	K461-K494 HydrophobicContact CB-CB 3.99Å; K461-K494 HydrophobicContact CB-CG 4.49Å; K461-K494 HydrophobicContact CD-CD 4.49Å; K461-K494 PolarHBondContact N-O 3.33Å; K461-N526 VanDerWaalsContact O-CA 3.27Å; K461-N526 WeakPolarHBondContact O-CA 3.45Å; K461-N526 VanDerWaalsContact O-CG 3.25Å; K461-N526 PolarHBondContact O-ND2 2.98Å; K461-N526 VanDerWaalsContact O-ND2 3.11Å; K461-Y527 HydrophobicContact CB-CE1 3.81Å; K461-Y527 HydrophobicContact CB-CE2 4.13Å; K461-Y527 HydrophobicContact CD-CE2 4.24Å; K461-Y527 WeakPolarHBondContact CD-OH 3.28Å; K461-Y527 HydrophobicContact CG-CD2 4.44Å; K461-Y527 HydrophobicContact CG-CE1 4.26Å; K461-Y527 HydrophobicContact CG-CE2 3.65Å; K461-Y527 WeakPolarHBondContact CG-OH 3.26Å; K461-D554 WeakPolarHBondContact CD-OD2 3.47Å; K461-D554 VanDerWaalsContact CE-CG 3.47Å; K461-D554 VanDerWaalsContact CE-OD1 3.22Å; K461-D554 WeakPolarHBondContact CE-OD1 3.3Å; K461-D554 WeakPolarHBondContact CE-OD2 3.49Å; K461-D554 IonicContact NZ-OD1 3.84Å; K461-D554 PolarHBondContact NZ-OD1 3.2Å; K461-D554 IonicContact NZ-OD2 3.8Å; K461-D554 PolarHBondContact NZ-OD2 3.06Å
462	H	97.6	Very high	94.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.2	174.5	-56.1	-62.8	0	0	0	109.7	K460 K494 I495 A496 Y524 M547 D554	K460-H462 VanDerWaalsContact C-N 3.33Å; H462-K494 PolarHBondContact N-O 3.37Å; H462-I495 HydrophobicContact CB-CG1 4.32Å; H462-I495 CarbonylContact O-C 3.54Å; H462-I495 VanDerWaalsContact O-CA 3.25Å; H462-I495 WeakPolarHBondContact O-CA 3.48Å; H462-A496 PolarHBondContact O-N 2.78Å; H462-Y524 HydrophobicContact CB-CE2 3.92Å; H462-Y524 PolarHBondContact CE1-OH 2.96Å; H462-Y524 AromaticContact ND1-CE2 3.65Å; H462-Y524 AromaticContact ND1-CZ 3.59Å; H462-Y524 PolarHBondContact ND1-OH 3.46Å; H462-M547 HydrophobicContact CB-SD 3.71Å; H462-D554 IonicContact CD2-OD2 2.67Å; H462-D554 IonicContact CE1-OD1 2.63Å; H462-D554 IonicContact CE1-OD2 3.61Å; H462-D554 IonicContact NE2-OD1 3.22Å; H462-D554 IonicContact NE2-OD2 3.46Å; H462-D554 PolarHBondContact NE2-OD2 2.94Å
463	A	98	Very high	94.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.7	173.2	0	0	0	0	0	110.1	L457 K460 A496 Y524 Y525	L457-A463 HydrophobicContact CD2-CB 3.3Å; K460-A463 HydrophobicContact CB-CB 4.28Å; A463-A496 VanDerWaalsContact CA-O 3.26Å; A463-A496 WeakPolarHBondContact CA-O 3.44Å; A463-A496 HydrophobicContact CB-CB 4.26Å; A463-Y524 WeakPolarHBondContact O-CA 3.33Å; A463-Y524 WeakPolarHBondContact O-CD2 3.22Å; A463-Y525 PolarHBondContact N-O 3.42Å; A463-Y525 PolarHBondContact O-N 3.19Å
464	L	98.3	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.7	169.5	-173.6	63.5	0	0	0	107.9	F482 A496 Y497 V498 F522 Y534 F543 F546 M547	L464-F482 HydrophobicContact CD2-CE2 3.85Å; L464-F482 HydrophobicContact CG-CE2 3.96Å; L464-F482 HydrophobicContact CG-CZ 4.44Å; L464-F482 WeakPolarHBondContact O-CZ 3.44Å; L464-A496 PolarHBondContact N-O 2.82Å; L464-Y497 HydrophobicContact CB-CD1 4.42Å; L464-Y497 HydrophobicContact CB-CE1 4.42Å; L464-Y497 HydrophobicContact CD2-CD1 4.39Å; L464-Y497 HydrophobicContact CD2-CE1 3.89Å; L464-Y497 WeakPolarHBondContact O-CA 3.49Å; L464-V498 PolarHBondContact O-N 3.22Å; L464-F522 HydrophobicContact CD1-CB 4.43Å; L464-Y534 HydrophobicContact CD1-CG 4.21Å; L464-F543 HydrophobicContact CD2-CD1 3.78Å; L464-F543 HydrophobicContact CD2-CE1 4.41Å; L464-F546 HydrophobicContact CD1-CD1 4.44Å; L464-F546 HydrophobicContact CD1-CE1 4.13Å; L464-F546 HydrophobicContact CD2-CD1 4.41Å; L464-M547 HydrophobicContact CB-CE 3.8Å
465	V	98.4	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.2	-174.9	-179.1	0	0	0	0	109.5	F453 L457 F467 V498 V500 F522 N523 Y525	F453-V465 HydrophobicContact CE2-CG1 3.71Å; F453-V465 HydrophobicContact CE2-CG2 4.11Å; F453-V465 HydrophobicContact CZ-CG1 4.16Å; F453-V465 HydrophobicContact CZ-CG2 4.27Å; L457-V465 HydrophobicContact CD1-CG2 4.15Å; L457-V465 HydrophobicContact CD2-CG2 4.01Å; V465-F467 HydrophobicContact CB-CE2 4.19Å; V465-F467 HydrophobicContact CG1-CD2 4.04Å; V465-F467 HydrophobicContact CG1-CE1 4.1Å; V465-F467 HydrophobicContact CG1-CE2 3.57Å; V465-F467 HydrophobicContact CG1-CG 4.49Å; V465-F467 HydrophobicContact CG1-CZ 3.6Å; V465-V498 CarbonylContact C-O 3.56Å; V465-V498 VanDerWaalsContact CA-O 3.31Å; V465-V498 WeakPolarHBondContact CA-O 3.43Å; V465-V498 HydrophobicContact CB-CB 4.39Å; V465-V498 HydrophobicContact CG1-CB 4.4Å; V465-V498 HydrophobicContact CG1-CG1 4.09Å; V465-V498 HydrophobicContact CG2-CB 3.96Å; V465-V498 HydrophobicContact CG2-CG1 4.19Å; V465-V500 HydrophobicContact CG1-CG2 4.09Å; V465-F522 CarbonylContact O-C 3.48Å; V465-F522 VanDerWaalsContact O-CA 3.26Å; V465-F522 WeakPolarHBondContact O-CA 3.4Å; V465-N523 PolarHBondContact N-O 3.4Å; V465-N523 PolarHBondContact O-N 2.96Å; V465-Y525 HydrophobicContact CB-CD2 4.17Å; V465-Y525 HydrophobicContact CB-CE2 3.79Å; V465-Y525 HydrophobicContact CG2-CD2 3.4Å; V465-Y525 HydrophobicContact CG2-CE2 3.41Å; V465-Y525 VanDerWaalsContact CG2-CE2 3.41Å; V465-Y525 HydrophobicContact CG2-CG 4.48Å
466	M	98.2	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.9	171.2	179.9	177.7	178.4	0	0	110.2	W438 C475 A478 V479 F482 V498 A499 V500 P520 F522	W438-M466 HydrophobicContact CH2-SD 3.75Å; W438-M466 HydrophobicContact CZ3-SD 4.04Å; M466-C475 HydrophobicContact CE-CB 4.03Å; M466-A478 HydrophobicContact CE-CB 4.03Å; M466-V479 HydrophobicContact CE-CG2 4.2Å; M466-F482 HydrophobicContact CB-CD1 4.34Å; M466-F482 HydrophobicContact CB-CE1 3.88Å; M466-F482 HydrophobicContact CB-CE2 4.06Å; M466-F482 HydrophobicContact CB-CZ 3.71Å; M466-F482 HydrophobicContact SD-CB 4.35Å; M466-F482 HydrophobicContact SD-CD1 4.23Å; M466-F482 HydrophobicContact SD-CG 4.14Å; M466-V498 PolarHBondContact N-O 3.2Å; M466-A499 WeakPolarHBondContact O-CA 3.42Å; M466-V500 PolarHBondContact O-N 3.27Å; M466-P520 HydrophobicContact CE-CB 3.78Å; M466-P520 HydrophobicContact CE-CG 4.44Å; M466-P520 HydrophobicContact CG-CB 4.37Å; M466-F522 HydrophobicContact CB-CD1 3.81Å; M466-F522 HydrophobicContact CB-CE1 3.63Å; M466-F522 HydrophobicContact CE-CE1 4.47Å; M466-F522 HydrophobicContact CE-CZ 4.24Å; M466-F522 HydrophobicContact CG-CD1 4.02Å; M466-F522 HydrophobicContact CG-CE1 3.44Å; M466-F522 VanDerWaalsContact CG-CE1 3.44Å; M466-F522 HydrophobicContact CG-CZ 4Å; M466-F522 HydrophobicContact SD-CE1 3.68Å; M466-F522 HydrophobicContact SD-CZ 4.03Å
467	F	98	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	169.6	-63.8	-81.7	0	0	0	109.2	F453 V465 V500 E514 V516 P520 T521 N523	F453-F467 HydrophobicContact CE2-CE1 4.31Å; F453-F467 HydrophobicContact CE2-CZ 4.13Å; F453-F467 HydrophobicContact CZ-CE1 4.28Å; F453-F467 AromaticContact CZ-CZ 3.77Å; F453-F467 HydrophobicContact CZ-CZ 3.77Å; V465-F467 HydrophobicContact CB-CE2 4.19Å; V465-F467 HydrophobicContact CG1-CD2 4.04Å; V465-F467 HydrophobicContact CG1-CE1 4.1Å; V465-F467 HydrophobicContact CG1-CE2 3.57Å; V465-F467 HydrophobicContact CG1-CG 4.49Å; V465-F467 HydrophobicContact CG1-CZ 3.6Å; F467-V500 HydrophobicContact CD1-CB 3.74Å; F467-V500 HydrophobicContact CD1-CG1 4.01Å; F467-V500 HydrophobicContact CD1-CG2 4.2Å; F467-V500 HydrophobicContact CE1-CB 4.01Å; F467-V500 HydrophobicContact CE1-CG1 4.19Å; F467-V500 HydrophobicContact CE1-CG2 3.99Å; F467-E514 HydrophobicContact CE1-CB 4.1Å; F467-E514 HydrophobicContact CE1-CG 4.08Å; F467-E514 HydrophobicContact CE2-CB 4.2Å; F467-E514 HydrophobicContact CZ-CB 3.66Å; F467-E514 HydrophobicContact CZ-CG 3.7Å; F467-V516 HydrophobicContact CB-CB 4.49Å; F467-V516 HydrophobicContact CB-CG1 3.96Å; F467-V516 HydrophobicContact CB-CG2 3.7Å; F467-V516 HydrophobicContact CD1-CG2 3.9Å; F467-V516 HydrophobicContact CD2-CG2 3.71Å; F467-V516 HydrophobicContact CE1-CG2 4.43Å; F467-V516 HydrophobicContact CE2-CG2 4.27Å; F467-V516 HydrophobicContact CG-CG2 3.49Å; F467-V516 VanDerWaalsContact CG-CG2 3.49Å; F467-P520 WeakPolarHBondContact O-CA 3.36Å; F467-T521 PolarHBondContact N-O 3.33Å; F467-T521 PolarHBondContact O-N 3.33Å; F467-T521 VanDerWaalsContact O-N 3.08Å; F467-N523 HydrophobicContact CE2-CB 4.05Å
468	Y	96.8	Very high	94.1	Very high	9 Å²	9	50 Å²	50	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	168.9	-168.5	82.7	-77.9	0	0	0	113.4	W438 E439 P470 C475 A499 V500 D501 C502	W438-Y468 HydrophobicContact CE3-CD1 4.34Å; W438-Y468 HydrophobicContact CE3-CD2 4.37Å; W438-Y468 AromaticContact CE3-CE1 3.83Å; W438-Y468 HydrophobicContact CE3-CE1 3.83Å; W438-Y468 AromaticContact CE3-CE2 3.85Å; W438-Y468 HydrophobicContact CE3-CE2 3.85Å; W438-Y468 AromaticContact CE3-CZ 3.57Å; W438-Y468 AromaticContact CZ3-CD1 3.9Å; W438-Y468 HydrophobicContact CZ3-CD1 3.9Å; W438-Y468 HydrophobicContact CZ3-CD2 4.45Å; W438-Y468 AromaticContact CZ3-CE1 3.75Å; W438-Y468 HydrophobicContact CZ3-CE1 3.75Å; W438-Y468 HydrophobicContact CZ3-CE2 4.3Å; W438-Y468 HydrophobicContact CZ3-CG 4.27Å; W438-Y468 AromaticContact CZ3-CZ 3.98Å; E439-Y468 PolarHBondContact OE1-OH 3.17Å; Y468-P470 HydrophobicContact CE2-CG 4.13Å; Y468-C475 HydrophobicContact CD2-CB 4.46Å; Y468-A499 HydrophobicContact CD1-CB 4.38Å; Y468-A499 HydrophobicContact CE1-CB 4.06Å; Y468-V500 WeakPolarHBondContact CD1-O 3.44Å; Y468-V500 PolarHBondContact N-O 3.42Å; Y468-D501 HydrophobicContact CE1-CB 3.84Å; Y468-C502 PolarHBondContact O-N 2.95Å
469	A	92.9	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.			trans	-127.6	134.1	167.4	0	0	0	0	0	109.3	W471 C472 T503 Y519	A469-W471 HydrophobicContact CB-CD2 4.13Å; A469-W471 HydrophobicContact CB-CH2 4.37Å; A469-W471 HydrophobicContact CB-CZ2 3.8Å; A469-W471 PolarHBondContact O-N 3.5Å; A469-W471 VanDerWaalsContact O-N 3.13Å; A469-C472 HydrophobicContact CB-CB 4.15Å; A469-C472 VanDerWaalsContact O-CB 3.31Å; A469-C472 WeakPolarHBondContact O-CB 3.35Å; A469-C472 PolarHBondContact O-N 3.17Å; A469-T503 HydrophobicContact CB-CG2 3.57Å; A469-Y519 HydrophobicContact CB-CD2 3.71Å; A469-Y519 HydrophobicContact CB-CE2 3.97Å; A469-Y519 HydrophobicContact CB-CG 4.14Å
470	P	87.8	Confident	94.2	Very high	56 Å²	56	41.6 Å²	41.6	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.2	-175.4	-27.2	34.1	0	0	0	114.2	Y468 K476 D501 T503	Y468-P470 HydrophobicContact CE2-CG 4.13Å; P470-K476 WeakPolarHBondContact O-CE 3.29Å; P470-D501 WeakPolarHBondContact CD-OD1 3.34Å; P470-D501 VanDerWaalsContact CG-OD2 3.23Å; P470-D501 WeakPolarHBondContact CG-OD2 3.31Å; P470-T503 WeakPolarHBondContact CD-OG1 3.5Å
471	W	81.5	Confident	94.2	Very high	170 Å²	170	42.4 Å²	42.4	64%	0.644	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7	179.3	50.8	-101	0	0	0	113.8	A469 P473 Y519	A469-W471 HydrophobicContact CB-CD2 4.13Å; A469-W471 HydrophobicContact CB-CH2 4.37Å; A469-W471 HydrophobicContact CB-CZ2 3.8Å; A469-W471 PolarHBondContact O-N 3.5Å; A469-W471 VanDerWaalsContact O-N 3.13Å; W471-P473 WeakPolarHBondContact O-CD 3.46Å; W471-Y519 HydrophobicContact CH2-CD2 4.33Å; W471-Y519 HydrophobicContact CH2-CE2 4.47Å; W471-Y519 HydrophobicContact CZ2-CE2 4.42Å
472	C	88.9	Confident	94.3	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.054	20%	0.204	C	C	.	.			trans	-78.7	119.9	-175.3	175.3	0	0	0	0	111.5	A469 H474 C475 K476 Y519	A469-C472 HydrophobicContact CB-CB 4.15Å; A469-C472 VanDerWaalsContact O-CB 3.31Å; A469-C472 WeakPolarHBondContact O-CB 3.35Å; A469-C472 PolarHBondContact O-N 3.17Å; C472-H474 VanDerWaalsContact C-N 3.34Å; C472-H474 PolarHBondContact O-N 3.2Å; C472-C475 HydrophobicContact CB-CB 3.85Å; C472-C475 WeakPolarHBondContact CB-SG 3.39Å; C472-C475 WeakPolarHBondContact O-CB 3.4Å; C472-C475 PolarHBondContact O-N 3.37Å; C472-C475 PolarHBondContact SG-SG 3.27Å; C472-K476 PolarHBondContact O-N 3.35Å; C472-Y519 PolarHBondContact SG-O 2.9Å
473	P	85.4	Confident	94.3	Very high	85 Å²	85	41.4 Å²	41.4	55%	0.552	21%	0.21	S	C	*	.	H	α-helix	trans	-58.7	-41.1	-179.8	-25.9	35.4	0	0	0	113.6	W471 C475 K476 N477	W471-P473 WeakPolarHBondContact O-CD 3.46Å; P473-C475 VanDerWaalsContact C-N 3.27Å; P473-C475 PolarHBondContact O-N 3.48Å; P473-K476 PolarHBondContact O-N 3.42Å; P473-N477 PolarHBondContact O-N 3.34Å
474	H	92.3	Very high	94.3	Very high	124 Å²	124	44.2 Å²	44.2	57%	0.574	23%	0.228	S	C	*	.	H	α-helix	trans	-66.2	-29.3	177.3	-60.4	-60.4	0	0	0	112.8	C472 A478 P520	C472-H474 VanDerWaalsContact C-N 3.34Å; C472-H474 PolarHBondContact O-N 3.2Å; H474-A478 PolarHBondContact O-N 3.22Å; H474-P520 HydrophobicContact CB-CG 4.49Å
475	C	95.6	Very high	94.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-70.6	-49.1	173.3	-63.5	0	0	0	0	110.2	M466 Y468 C472 P473 N477 A478 V479	M466-C475 HydrophobicContact CE-CB 4.03Å; Y468-C475 HydrophobicContact CD2-CB 4.46Å; C472-C475 HydrophobicContact CB-CB 3.85Å; C472-C475 WeakPolarHBondContact CB-SG 3.39Å; C472-C475 WeakPolarHBondContact O-CB 3.4Å; C472-C475 PolarHBondContact O-N 3.37Å; C472-C475 PolarHBondContact SG-SG 3.27Å; P473-C475 VanDerWaalsContact C-N 3.27Å; P473-C475 PolarHBondContact O-N 3.48Å; C475-N477 PolarHBondContact O-N 3.43Å; C475-A478 PolarHBondContact O-N 3.13Å; C475-V479 VanDerWaalsContact O-CG2 3.3Å; C475-V479 WeakPolarHBondContact O-CG2 3.43Å; C475-V479 PolarHBondContact O-N 2.69Å
476	K	92.7	Very high	94.2	Very high	117 Å²	117	44.3 Å²	44.3	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-54	-39.1	178.1	-67.7	-172.6	178	-161.5	0	112.2	P470 C472 P473 P480	P470-K476 WeakPolarHBondContact O-CE 3.29Å; C472-K476 PolarHBondContact O-N 3.35Å; P473-K476 PolarHBondContact O-N 3.42Å; K476-P480 VanDerWaalsContact O-CD 3.25Å; K476-P480 WeakPolarHBondContact O-CD 3.37Å
477	N	94.7	Very high	94.1	Very high	113 Å²	113	47.2 Å²	47.2	60%	0.604	24%	0.244	S	C	*	.	H	α-helix	trans	-69.1	-34.5	176.5	-68.6	-5.1	0	0	0	113.4	P473 C475 P480 H481	P473-N477 PolarHBondContact O-N 3.34Å; C475-N477 PolarHBondContact O-N 3.43Å; N477-P480 WeakPolarHBondContact O-CD 3.4Å; N477-H481 PolarHBondContact O-CD2 3.16Å
478	A	95.3	Very high	94.1	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-83	-27.7	-178.3	0	0	0	0	0	113.5	M466 H474 C475 H481 F482 F522	M466-A478 HydrophobicContact CE-CB 4.03Å; H474-A478 PolarHBondContact O-N 3.22Å; C475-A478 PolarHBondContact O-N 3.13Å; A478-H481 PolarHBondContact O-N 3.27Å; A478-F482 WeakPolarHBondContact O-CB 3.4Å; A478-F482 PolarHBondContact O-N 3.18Å; A478-F522 HydrophobicContact CB-CZ 3.99Å
479	V	96.2	Very high	94.1	Very high	29 Å²	29	51.8 Å²	51.8	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-47.8	-53	179.9	160.8	0	0	0	0	113.9	W438 M466 C475 H481 F482 T483	W438-V479 HydrophobicContact CD2-CB 4.48Å; W438-V479 HydrophobicContact CD2-CG1 3.83Å; W438-V479 HydrophobicContact CD2-CG2 3.86Å; W438-V479 HydrophobicContact CE3-CG2 3.73Å; W438-V479 HydrophobicContact CG-CG1 3.92Å; W438-V479 HydrophobicContact CH2-CG2 4.07Å; W438-V479 HydrophobicContact CZ2-CB 4.47Å; W438-V479 HydrophobicContact CZ2-CG1 4.14Å; W438-V479 HydrophobicContact CZ2-CG2 4.18Å; W438-V479 HydrophobicContact CZ3-CG2 3.85Å; M466-V479 HydrophobicContact CE-CG2 4.2Å; C475-V479 VanDerWaalsContact O-CG2 3.3Å; C475-V479 WeakPolarHBondContact O-CG2 3.43Å; C475-V479 PolarHBondContact O-N 2.69Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-H481 PolarHBondContact O-N 3.08Å; V479-F482 PolarHBondContact O-N 3.18Å; V479-T483 VanDerWaalsContact O-CB 3.31Å; V479-T483 WeakPolarHBondContact O-CB 3.48Å; V479-T483 PolarHBondContact O-N 3.3Å; V479-T483 PolarHBondContact O-OG1 3.39Å
480	P	96.4	Very high	94.1	Very high	65 Å²	65	57.9 Å²	57.9	42%	0.422	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-44.6	-178.2	21.9	-33	0	0	0	111.6	K476 N477 T483 T484	K476-P480 VanDerWaalsContact O-CD 3.25Å; K476-P480 WeakPolarHBondContact O-CD 3.37Å; N477-P480 WeakPolarHBondContact O-CD 3.4Å; P480-T483 PolarHBondContact O-N 3.47Å; P480-T484 PolarHBondContact O-N 3.28Å; P480-T484 PolarHBondContact O-OG1 2.85Å; P480-T484 VanDerWaalsContact O-OG1 3.06Å
481	H	97.6	Very high	94.4	Very high	65 Å²	65	62.7 Å²	62.7	30%	0.301	31%	0.312	S	S	.	.	H	α-helix	trans	-67.5	-40.4	-178.8	-58.2	-44.2	0	0	0	113.2	N477 A478 V479 T483 A485 E540 F543	N477-H481 PolarHBondContact O-CD2 3.16Å; A478-H481 PolarHBondContact O-N 3.27Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-H481 PolarHBondContact O-N 3.08Å; H481-T483 VanDerWaalsContact C-N 3.33Å; H481-A485 WeakPolarHBondContact O-CB 3.39Å; H481-A485 PolarHBondContact O-N 2.78Å; H481-E540 HydrophobicContact CB-CG 3.77Å; H481-E540 WeakPolarHBondContact ND1-CG 3.4Å; H481-E540 IonicContact ND1-OE1 3.2Å; H481-E540 PolarHBondContact ND1-OE1 2.89Å; H481-F543 HydrophobicContact CB-CD2 4.29Å; H481-F543 HydrophobicContact CB-CE2 4.17Å
482	F	98.1	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-38.3	176.7	-165.1	-99.7	0	0	0	111.4	W438 V445 L464 M466 A478 V479 A485 A486 Y497 F522 F543	W438-F482 AromaticContact CH2-CD1 3.97Å; W438-F482 HydrophobicContact CH2-CD1 3.97Å; W438-F482 HydrophobicContact CZ2-CD1 4.18Å; V445-F482 HydrophobicContact CG1-CD1 4.46Å; V445-F482 HydrophobicContact CG1-CE1 4.25Å; V445-F482 HydrophobicContact CG2-CD1 4.2Å; L464-F482 HydrophobicContact CD2-CE2 3.85Å; L464-F482 HydrophobicContact CG-CE2 3.96Å; L464-F482 HydrophobicContact CG-CZ 4.44Å; L464-F482 WeakPolarHBondContact O-CZ 3.44Å; M466-F482 HydrophobicContact CB-CD1 4.34Å; M466-F482 HydrophobicContact CB-CE1 3.88Å; M466-F482 HydrophobicContact CB-CE2 4.06Å; M466-F482 HydrophobicContact CB-CZ 3.71Å; M466-F482 HydrophobicContact SD-CB 4.35Å; M466-F482 HydrophobicContact SD-CD1 4.23Å; M466-F482 HydrophobicContact SD-CG 4.14Å; A478-F482 WeakPolarHBondContact O-CB 3.4Å; A478-F482 PolarHBondContact O-N 3.18Å; V479-F482 PolarHBondContact O-N 3.18Å; F482-A485 PolarHBondContact O-N 3.24Å; F482-A486 WeakPolarHBondContact O-CB 3.45Å; F482-A486 PolarHBondContact O-N 3.39Å; F482-Y497 HydrophobicContact CD1-CD1 4.33Å; F482-Y497 HydrophobicContact CD2-CD1 4.01Å; F482-Y497 HydrophobicContact CD2-CE1 4.43Å; F482-Y497 AromaticContact CE1-CD1 3.98Å; F482-Y497 HydrophobicContact CE1-CD1 3.98Å; F482-Y497 HydrophobicContact CE1-CG 4.47Å; F482-Y497 AromaticContact CE2-CD1 3.63Å; F482-Y497 HydrophobicContact CE2-CD1 3.63Å; F482-Y497 HydrophobicContact CE2-CE1 4.19Å; F482-Y497 HydrophobicContact CG-CD1 4.36Å; F482-Y497 AromaticContact CZ-CD1 3.62Å; F482-Y497 HydrophobicContact CZ-CD1 3.62Å; F482-Y497 HydrophobicContact CZ-CG 4.33Å; F482-F522 HydrophobicContact CD2-CD1 4.15Å; F482-F522 AromaticContact CD2-CE1 3.69Å; F482-F522 HydrophobicContact CD2-CE1 3.69Å; F482-F522 AromaticContact CE2-CD1 3.84Å; F482-F522 HydrophobicContact CE2-CD1 3.84Å; F482-F522 AromaticContact CE2-CE1 3.83Å; F482-F522 HydrophobicContact CE2-CE1 3.83Å; F482-F522 HydrophobicContact CG-CE1 4.47Å; F482-F543 HydrophobicContact CB-CD2 4.34Å; F482-F543 HydrophobicContact CB-CE2 4.02Å; F482-F543 HydrophobicContact CD2-CD1 4.14Å; F482-F543 HydrophobicContact CD2-CD2 4.14Å; F482-F543 AromaticContact CD2-CE1 3.98Å; F482-F543 HydrophobicContact CD2-CE1 3.98Å; F482-F543 AromaticContact CD2-CE2 3.98Å; F482-F543 HydrophobicContact CD2-CE2 3.98Å; F482-F543 HydrophobicContact CD2-CG 4.23Å; F482-F543 AromaticContact CD2-CZ 3.91Å; F482-F543 HydrophobicContact CD2-CZ 3.91Å; F482-F543 HydrophobicContact CE2-CE1 4.46Å
483	T	97.3	Very high	95.2	Very high	23 Å²	23	66.6 Å²	66.6	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-48.7	176.2	-55.2	0	0	0	0	111.2	W438 S443 V445 V479 P480 H481 A485 A486 D487	W438-T483 PolarHBondContact NE1-OG1 2.84Å; W438-T483 VanDerWaalsContact NE1-OG1 3.07Å; S443-T483 VanDerWaalsContact CB-CG2 3.49Å; V445-T483 HydrophobicContact CG2-CG2 4.39Å; V479-T483 VanDerWaalsContact O-CB 3.31Å; V479-T483 WeakPolarHBondContact O-CB 3.48Å; V479-T483 PolarHBondContact O-N 3.3Å; V479-T483 PolarHBondContact O-OG1 3.39Å; P480-T483 PolarHBondContact O-N 3.47Å; H481-T483 VanDerWaalsContact C-N 3.33Å; T483-A485 VanDerWaalsContact C-N 3.29Å; T483-A485 PolarHBondContact O-N 3.31Å; T483-A486 WeakPolarHBondContact O-CA 3.41Å; T483-A486 WeakPolarHBondContact O-CB 3.47Å; T483-A486 PolarHBondContact O-N 3.4Å; T483-D487 PolarHBondContact O-N 3.04Å
484	T	97.2	Very high	95.6	Very high	60 Å²	60	68.5 Å²	68.5	37%	0.368	33%	0.328	S	S	.	.	H	α-helix	trans	-56.8	-43.3	175.2	-58.9	0	0	0	0	111.8	P480 D487 L488 E540	P480-T484 PolarHBondContact O-N 3.28Å; P480-T484 PolarHBondContact O-OG1 2.85Å; P480-T484 VanDerWaalsContact O-OG1 3.06Å; T484-D487 PolarHBondContact O-N 3.15Å; T484-L488 PolarHBondContact O-N 3.4Å; T484-L488 VanDerWaalsContact O-N 3.14Å; T484-E540 HydrophobicContact CG2-CG 4.11Å
485	A	97.4	Very high	95.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-42.1	176.2	0	0	0	0	0	111.6	H481 F482 T483 L488 F489 Y497 F543 I544	H481-A485 WeakPolarHBondContact O-CB 3.39Å; H481-A485 PolarHBondContact O-N 2.78Å; F482-A485 PolarHBondContact O-N 3.24Å; T483-A485 VanDerWaalsContact C-N 3.29Å; T483-A485 PolarHBondContact O-N 3.31Å; A485-L488 WeakPolarHBondContact O-CB 3.35Å; A485-L488 PolarHBondContact O-N 3.42Å; A485-F489 VanDerWaalsContact O-CD2 3.22Å; A485-F489 WeakPolarHBondContact O-CD2 3.31Å; A485-F489 PolarHBondContact O-N 2.98Å; A485-Y497 HydrophobicContact CB-CD1 4.36Å; A485-Y497 HydrophobicContact CB-CE1 3.65Å; A485-F543 HydrophobicContact CB-CB 3.71Å; A485-I544 HydrophobicContact CB-CG1 3.82Å
486	A	97.6	Very high	95.9	Very high	2 Å²	2	63.2 Å²	63.2	2%	0.017	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.3	0	0	0	0	0	112.5	V445 F482 T483 L488 F489 K490 Y497	V445-A486 HydrophobicContact CB-CB 4.34Å; V445-A486 HydrophobicContact CG2-CB 3.42Å; V445-A486 VanDerWaalsContact CG2-CB 3.42Å; F482-A486 WeakPolarHBondContact O-CB 3.45Å; F482-A486 PolarHBondContact O-N 3.39Å; T483-A486 WeakPolarHBondContact O-CA 3.41Å; T483-A486 WeakPolarHBondContact O-CB 3.47Å; T483-A486 PolarHBondContact O-N 3.4Å; A486-L488 VanDerWaalsContact C-N 3.27Å; A486-L488 PolarHBondContact O-N 3.03Å; A486-F489 CarbonylContact O-C 3.53Å; A486-F489 PolarHBondContact O-N 3.46Å; A486-F489 VanDerWaalsContact O-N 3.09Å; A486-K490 PolarHBondContact O-N 2.99Å; A486-Y497 VanDerWaalsContact CB-CB 3.41Å; A486-Y497 HydrophobicContact CB-CD1 4.36Å; A486-Y497 HydrophobicContact CB-CD2 4.16Å; A486-Y497 HydrophobicContact CB-CG 3.74Å
487	D	97.5	Very high	96.1	Very high	60 Å²	60	57.8 Å²	57.8	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-35.6	178.3	-75.2	-34.5	0	0	0	112.6	G444 T483 T484 F489 K490	G444-D487 WeakPolarHBondContact CA-OD1 3.38Å; G444-D487 PolarHBondContact N-OD1 2.96Å; T483-D487 PolarHBondContact O-N 3.04Å; T484-D487 PolarHBondContact O-N 3.15Å; D487-F489 VanDerWaalsContact C-N 3.28Å; D487-F489 PolarHBondContact O-N 3.12Å; D487-K490 WeakPolarHBondContact O-CD 3.23Å; D487-K490 VanDerWaalsContact O-CG 3.25Å; D487-K490 WeakPolarHBondContact O-CG 3.28Å; D487-K490 PolarHBondContact O-N 3.42Å
488	L	97.1	Very high	96.3	Very high	94 Å²	94	52.4 Å²	52.4	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-32.5	176.2	-176.4	65.5	0	0	0	112.8	T484 A485 A486 I544	T484-L488 PolarHBondContact O-N 3.4Å; T484-L488 VanDerWaalsContact O-N 3.14Å; A485-L488 WeakPolarHBondContact O-CB 3.35Å; A485-L488 PolarHBondContact O-N 3.42Å; A486-L488 VanDerWaalsContact C-N 3.27Å; A486-L488 PolarHBondContact O-N 3.03Å; L488-I544 HydrophobicContact CD2-CB 4.4Å; L488-I544 HydrophobicContact CD2-CD1 3.74Å; L488-I544 HydrophobicContact CD2-CG1 3.83Å; L488-I544 HydrophobicContact CD2-CG2 3.68Å
489	F	95.8	Very high	96.4	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-105.3	5.7	-177.7	-65.8	-76.6	0	0	0	114.1	A485 A486 D487 E491 D492 I495 Y497 I544 M547 R548	A485-F489 VanDerWaalsContact O-CD2 3.22Å; A485-F489 WeakPolarHBondContact O-CD2 3.31Å; A485-F489 PolarHBondContact O-N 2.98Å; A486-F489 CarbonylContact O-C 3.53Å; A486-F489 PolarHBondContact O-N 3.46Å; A486-F489 VanDerWaalsContact O-N 3.09Å; D487-F489 VanDerWaalsContact C-N 3.28Å; D487-F489 PolarHBondContact O-N 3.12Å; F489-E491 PolarHBondContact O-N 3.13Å; F489-E491 VanDerWaalsContact O-N 3.11Å; F489-D492 PolarHBondContact O-N 3.36Å; F489-I495 HydrophobicContact CB-CB 4.37Å; F489-I495 HydrophobicContact CB-CG2 3.78Å; F489-I495 HydrophobicContact CD1-CD1 3.74Å; F489-I495 HydrophobicContact CE1-CD1 4.22Å; F489-I495 HydrophobicContact CG-CD1 4.39Å; F489-I495 HydrophobicContact CG-CG2 4.16Å; F489-Y497 HydrophobicContact CB-CE2 4.17Å; F489-Y497 AromaticContact CD2-CE2 3.51Å; F489-Y497 HydrophobicContact CD2-CE2 3.51Å; F489-Y497 HydrophobicContact CE2-CE2 4.28Å; F489-Y497 HydrophobicContact CG-CE2 4.17Å; F489-I544 HydrophobicContact CE2-CG1 4.43Å; F489-I544 HydrophobicContact CE2-CG2 4.31Å; F489-I544 HydrophobicContact CZ-CG2 4.35Å; F489-M547 HydrophobicContact CD1-CG 4.41Å; F489-M547 HydrophobicContact CD2-CB 4.44Å; F489-M547 HydrophobicContact CD2-CG 4.25Å; F489-M547 HydrophobicContact CE1-CG 4.23Å; F489-M547 HydrophobicContact CE2-CB 3.86Å; F489-M547 HydrophobicContact CE2-CG 4.07Å; F489-M547 HydrophobicContact CG-CG 4.43Å; F489-M547 HydrophobicContact CZ-CB 3.9Å; F489-M547 HydrophobicContact CZ-CG 4.06Å; F489-R548 HydrophobicContact CZ-CG 4.06Å
490	K	93.7	Very high	96.5	Very high	129 Å²	129	50.8 Å²	50.8	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32	-172.7	72.6	-172.8	-179.3	179.6	0	114.5	A486 D487	A486-K490 PolarHBondContact O-N 2.99Å; D487-K490 WeakPolarHBondContact O-CD 3.23Å; D487-K490 VanDerWaalsContact O-CG 3.25Å; D487-K490 WeakPolarHBondContact O-CG 3.28Å; D487-K490 PolarHBondContact O-N 3.42Å
491	E	93.6	Very high	96.5	Very high	157 Å²	157	48.3 Å²	48.3	73%	0.734	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.4	179.4	-57.6	-55.2	145.3	0	0	113.2	F489 R493	F489-E491 PolarHBondContact O-N 3.13Å; F489-E491 VanDerWaalsContact O-N 3.11Å; E491-R493 PolarHBondContact O-N 3.25Å
492	D	94.1	Very high	96.3	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.214	21%	0.212	C	C	.	.			trans	-81.2	101	178.1	-168.1	-30.8	0	0	0	110.1	F489 K494 I495 R551	F489-D492 PolarHBondContact O-N 3.36Å; D492-K494 PolarHBondContact O-N 3.29Å; D492-K494 WeakPolarHBondContact OD1-CB 3.5Å; D492-K494 PolarHBondContact OD1-N 3.08Å; D492-I495 HydrophobicContact CB-CB 4.2Å; D492-I495 HydrophobicContact CB-CD1 4.24Å; D492-I495 HydrophobicContact CB-CG1 4.38Å; D492-I495 PolarHBondContact O-N 2.83Å; D492-I495 VanDerWaalsContact O-O 3.11Å; D492-I495 WeakPolarHBondContact OD2-CD1 3.37Å; D492-R551 IonicContact OD2-CZ 2.8Å; D492-R551 IonicContact OD2-NE 3.92Å; D492-R551 IonicContact OD2-NH1 2.69Å
493	R	92.9	Very high	95.9	Very high	220 Å²	220	47.6 Å²	47.6	83%	0.83	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.9	-178.3	-63.7	-174.8	-179.3	-172.8	-0.3	113.8	K460 E491	K460-R493 WeakPolarHBondContact CD-O 3.36Å; K460-R493 PolarHBondContact NZ-O 3.05Å; E491-R493 PolarHBondContact O-N 3.25Å
494	K	94.4	Very high	95.5	Very high	125 Å²	125	51.8 Å²	51.8	54%	0.543	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.6	-179.9	-67.6	-179	179.6	175.6	0	112.9	K461 H462 D492	K461-K494 HydrophobicContact CB-CB 3.99Å; K461-K494 HydrophobicContact CB-CG 4.49Å; K461-K494 HydrophobicContact CD-CD 4.49Å; K461-K494 PolarHBondContact N-O 3.33Å; H462-K494 PolarHBondContact N-O 3.37Å; D492-K494 PolarHBondContact O-N 3.29Å; D492-K494 WeakPolarHBondContact OD1-CB 3.5Å; D492-K494 PolarHBondContact OD1-N 3.08Å
495	I	96.3	Very high	94.9	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.6	-177.3	-64.2	172.9	0	0	0	110.1	K460 H462 F489 D492 Y497 M547 R551	K460-I495 PolarHBondContact NZ-O 3.06Å; K460-I495 VanDerWaalsContact NZ-O 3.15Å; H462-I495 HydrophobicContact CB-CG1 4.32Å; H462-I495 CarbonylContact O-C 3.54Å; H462-I495 VanDerWaalsContact O-CA 3.25Å; H462-I495 WeakPolarHBondContact O-CA 3.48Å; F489-I495 HydrophobicContact CB-CB 4.37Å; F489-I495 HydrophobicContact CB-CG2 3.78Å; F489-I495 HydrophobicContact CD1-CD1 3.74Å; F489-I495 HydrophobicContact CE1-CD1 4.22Å; F489-I495 HydrophobicContact CG-CD1 4.39Å; F489-I495 HydrophobicContact CG-CG2 4.16Å; D492-I495 HydrophobicContact CB-CB 4.2Å; D492-I495 HydrophobicContact CB-CD1 4.24Å; D492-I495 HydrophobicContact CB-CG1 4.38Å; D492-I495 PolarHBondContact O-N 2.83Å; D492-I495 VanDerWaalsContact O-O 3.11Å; D492-I495 WeakPolarHBondContact OD2-CD1 3.37Å; I495-Y497 HydrophobicContact CG2-CD2 4.3Å; I495-Y497 HydrophobicContact CG2-CE2 4.1Å; I495-M547 HydrophobicContact CD1-CG 3.78Å; I495-M547 HydrophobicContact CD1-SD 4.19Å; I495-M547 HydrophobicContact CG1-CG 4.35Å; I495-M547 HydrophobicContact CG1-SD 4.16Å; I495-M547 HydrophobicContact CG2-CE 3.84Å; I495-M547 HydrophobicContact CG2-CG 3.8Å; I495-M547 HydrophobicContact CG2-SD 3.71Å; I495-R551 HydrophobicContact CD1-CG 3.84Å
496	A	97.2	Very high	94.2	Very high	7 Å²	7	57.7 Å²	57.7	6%	0.058	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.6	167.2	0	0	0	0	0	111	K460 H462 A463 L464 V498	K460-A496 HydrophobicContact CB-CB 4.24Å; K460-A496 HydrophobicContact CD-CB 3.88Å; K460-A496 HydrophobicContact CG-CB 3.71Å; H462-A496 PolarHBondContact O-N 2.78Å; A463-A496 VanDerWaalsContact CA-O 3.26Å; A463-A496 WeakPolarHBondContact CA-O 3.44Å; A463-A496 HydrophobicContact CB-CB 4.26Å; L464-A496 PolarHBondContact N-O 2.82Å; A496-V498 HydrophobicContact CB-CG2 4.11Å
497	Y	98.3	Very high	93.9	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.4	161.1	-77.3	-106.3	0	0	0	106.3	S446 L464 F482 A485 A486 F489 I495 F543 M547	S446-Y497 PolarHBondContact N-O 2.98Å; L464-Y497 HydrophobicContact CB-CD1 4.42Å; L464-Y497 HydrophobicContact CB-CE1 4.42Å; L464-Y497 HydrophobicContact CD2-CD1 4.39Å; L464-Y497 HydrophobicContact CD2-CE1 3.89Å; L464-Y497 WeakPolarHBondContact O-CA 3.49Å; F482-Y497 HydrophobicContact CD1-CD1 4.33Å; F482-Y497 HydrophobicContact CD2-CD1 4.01Å; F482-Y497 HydrophobicContact CD2-CE1 4.43Å; F482-Y497 AromaticContact CE1-CD1 3.98Å; F482-Y497 HydrophobicContact CE1-CD1 3.98Å; F482-Y497 HydrophobicContact CE1-CG 4.47Å; F482-Y497 AromaticContact CE2-CD1 3.63Å; F482-Y497 HydrophobicContact CE2-CD1 3.63Å; F482-Y497 HydrophobicContact CE2-CE1 4.19Å; F482-Y497 HydrophobicContact CG-CD1 4.36Å; F482-Y497 AromaticContact CZ-CD1 3.62Å; F482-Y497 HydrophobicContact CZ-CD1 3.62Å; F482-Y497 HydrophobicContact CZ-CG 4.33Å; A485-Y497 HydrophobicContact CB-CD1 4.36Å; A485-Y497 HydrophobicContact CB-CE1 3.65Å; A486-Y497 VanDerWaalsContact CB-CB 3.41Å; A486-Y497 HydrophobicContact CB-CD1 4.36Å; A486-Y497 HydrophobicContact CB-CD2 4.16Å; A486-Y497 HydrophobicContact CB-CG 3.74Å; F489-Y497 HydrophobicContact CB-CE2 4.17Å; F489-Y497 AromaticContact CD2-CE2 3.51Å; F489-Y497 HydrophobicContact CD2-CE2 3.51Å; F489-Y497 HydrophobicContact CE2-CE2 4.28Å; F489-Y497 HydrophobicContact CG-CE2 4.17Å; I495-Y497 HydrophobicContact CG2-CD2 4.3Å; I495-Y497 HydrophobicContact CG2-CE2 4.1Å; Y497-F543 HydrophobicContact CE1-CB 4.19Å; Y497-F543 PolarHBondContact OH-O 3.14Å; Y497-M547 HydrophobicContact CD2-CE 4.4Å; Y497-M547 HydrophobicContact CE2-CE 3.77Å; Y497-M547 HydrophobicContact CE2-CG 4.32Å; Y497-M547 WeakPolarHBondContact OH-CB 3.41Å
498	V	98.1	Very high	93.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.7	-171.7	171.8	0	0	0	0	108.8	S446 L448 F453 L457 L464 V465 M466 A496 V500	S446-V498 CarbonylContact O-C 3.53Å; S446-V498 VanDerWaalsContact O-CA 3.23Å; S446-V498 WeakPolarHBondContact O-CA 3.11Å; L448-V498 HydrophobicContact CB-CG1 4.06Å; L448-V498 HydrophobicContact CD1-CB 4.46Å; L448-V498 HydrophobicContact CD1-CG1 3.59Å; L448-V498 HydrophobicContact CD1-CG2 3.99Å; L448-V498 HydrophobicContact CG-CG1 3.82Å; F453-V498 HydrophobicContact CE2-CG1 4.43Å; L457-V498 HydrophobicContact CD2-CG2 3.93Å; L464-V498 PolarHBondContact O-N 3.22Å; V465-V498 CarbonylContact C-O 3.56Å; V465-V498 VanDerWaalsContact CA-O 3.31Å; V465-V498 WeakPolarHBondContact CA-O 3.43Å; V465-V498 HydrophobicContact CB-CB 4.39Å; V465-V498 HydrophobicContact CG1-CB 4.4Å; V465-V498 HydrophobicContact CG1-CG1 4.09Å; V465-V498 HydrophobicContact CG2-CB 3.96Å; V465-V498 HydrophobicContact CG2-CG1 4.19Å; M466-V498 PolarHBondContact N-O 3.2Å; A496-V498 HydrophobicContact CB-CG2 4.11Å; V498-V500 HydrophobicContact CG1-CG2 4.31Å
499	A	97.9	Very high	93.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.4	172.2	0	0	0	0	0	110.3	W438 V445 S446 H447 L448 M466 Y468	W438-A499 HydrophobicContact CE3-CB 4.25Å; W438-A499 HydrophobicContact CH2-CB 3.58Å; W438-A499 HydrophobicContact CZ2-CB 4.46Å; W438-A499 HydrophobicContact CZ3-CB 3.44Å; W438-A499 VanDerWaalsContact CZ3-CB 3.44Å; V445-A499 HydrophobicContact CG1-CB 3.58Å; S446-A499 PolarHBondContact O-N 3.2Å; H447-A499 WeakPolarHBondContact CA-O 3.42Å; L448-A499 PolarHBondContact N-O 3.01Å; M466-A499 WeakPolarHBondContact O-CA 3.42Å; Y468-A499 HydrophobicContact CD1-CB 4.38Å; Y468-A499 HydrophobicContact CE1-CB 4.06Å
500	V	97.5	Very high	93	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.5	176.2	180	0	0	0	0	108.6	F453 V465 M466 F467 Y468 V498 C502 N507 L510	F453-V500 HydrophobicContact CD2-CG2 3.81Å; F453-V500 HydrophobicContact CE2-CG2 3.75Å; V465-V500 HydrophobicContact CG1-CG2 4.09Å; M466-V500 PolarHBondContact O-N 3.27Å; F467-V500 HydrophobicContact CD1-CB 3.74Å; F467-V500 HydrophobicContact CD1-CG1 4.01Å; F467-V500 HydrophobicContact CD1-CG2 4.2Å; F467-V500 HydrophobicContact CE1-CB 4.01Å; F467-V500 HydrophobicContact CE1-CG1 4.19Å; F467-V500 HydrophobicContact CE1-CG2 3.99Å; Y468-V500 WeakPolarHBondContact CD1-O 3.44Å; Y468-V500 PolarHBondContact N-O 3.42Å; V498-V500 HydrophobicContact CG1-CG2 4.31Å; V500-C502 PolarHBondContact O-N 3.31Å; V500-N507 HydrophobicContact CG1-CB 4.24Å; V500-L510 HydrophobicContact CG1-CD2 3.84Å; V500-L510 HydrophobicContact CG2-CD2 4.39Å
501	D	96.1	Very high	93	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	105.9	170.7	-177	-12.1	0	0	0	109.3	Y468 P470 T503 K504 N507	Y468-D501 HydrophobicContact CE1-CB 3.84Å; P470-D501 WeakPolarHBondContact CD-OD1 3.34Å; P470-D501 VanDerWaalsContact CG-OD2 3.23Å; P470-D501 WeakPolarHBondContact CG-OD2 3.31Å; D501-T503 PolarHBondContact O-N 2.94Å; D501-T503 WeakPolarHBondContact OD1-CA 3.41Å; D501-T503 WeakPolarHBondContact OD1-CB 3.34Å; D501-T503 PolarHBondContact OD1-N 2.91Å; D501-T503 PolarHBondContact OD1-OG1 3.09Å; D501-T503 PolarHBondContact OD2-OG1 3.07Å; D501-K504 HydrophobicContact CB-CB 4.24Å; D501-K504 PolarHBondContact O-N 3.28Å; D501-N507 WeakPolarHBondContact O-CB 3.22Å; D501-N507 PolarHBondContact O-ND2 3.5Å
502	C	94.9	Very high	92.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.6	-179.1	-65.2	0	0	0	0	114	Y468 V500 Q508 C511 Y519	Y468-C502 PolarHBondContact O-N 2.95Å; V500-C502 PolarHBondContact O-N 3.31Å; C502-Q508 WeakPolarHBondContact O-CG 3.45Å; C502-C511 WeakPolarHBondContact CA-SG 3.39Å; C502-C511 HydrophobicContact CB-CB 3.73Å; C502-C511 WeakPolarHBondContact CB-SG 3.48Å; C502-C511 WeakPolarHBondContact SG-CB 3.25Å; C502-C511 CovalentContact SG-SG 2.02Å; C502-C511 PolarHBondContact SG-SG 3.06Å; C502-Y519 HydrophobicContact CB-CE1 3.54Å; C502-Y519 WeakPolarHBondContact CB-OH 3.43Å; C502-Y519 VanDerWaalsContact SG-CE1 3.6Å
503	T	89.4	Confident	92.8	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.301	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.1	179.5	71.7	0	0	0	0	112.4	A469 P470 D501 Q508	A469-T503 HydrophobicContact CB-CG2 3.57Å; P470-T503 WeakPolarHBondContact CD-OG1 3.5Å; D501-T503 PolarHBondContact O-N 2.94Å; D501-T503 WeakPolarHBondContact OD1-CA 3.41Å; D501-T503 WeakPolarHBondContact OD1-CB 3.34Å; D501-T503 PolarHBondContact OD1-N 2.91Å; D501-T503 PolarHBondContact OD1-OG1 3.09Å; D501-T503 PolarHBondContact OD2-OG1 3.07Å; T503-Q508 PolarHBondContact O-NE2 3.39Å
504	K	87.8	Confident	92.7	Very high	111 Å²	111	45.6 Å²	45.6	48%	0.483	23%	0.23	S	C	.	.	S	Bend	trans	-91.2	114.6	-170.3	-161.8	179	-170.4	-179.8	0	112.7	E439 D501 Q506 N507	E439-K504 IonicContact OE2-NZ 3.55Å; E439-K504 PolarHBondContact OE2-NZ 2.93Å; D501-K504 HydrophobicContact CB-CB 4.24Å; D501-K504 PolarHBondContact O-N 3.28Å; K504-Q506 PolarHBondContact O-N 3.01Å; K504-N507 WeakPolarHBondContact O-CB 3.48Å; K504-N507 PolarHBondContact O-N 3.11Å
505	G	84.5	Confident	92.5	Very high	63 Å²	63	43.1 Å²	43.1	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	-123	167.8	0	0	0	0	0	114.4	N507	G505-N507 VanDerWaalsContact C-N 3.27Å; G505-N507 PolarHBondContact O-N 2.95Å
506	Q	83.1	Confident	92.3	Very high	121 Å²	121	43.8 Å²	43.8	57%	0.565	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.7	-178.6	-64.2	-174.9	-7.2	0	0	114.2	M450 K504 Q508 E509 L510	M450-Q506 HydrophobicContact CB-CB 4.23Å; M450-Q506 HydrophobicContact SD-CB 3.93Å; K504-Q506 PolarHBondContact O-N 3.01Å; Q506-Q508 PolarHBondContact O-N 3.18Å; Q506-E509 WeakPolarHBondContact O-CB 3.47Å; Q506-E509 PolarHBondContact O-N 2.98Å; Q506-L510 PolarHBondContact O-N 3.34Å
507	N	90.8	Very high	91.9	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-21.9	179	-65.7	-6.5	0	0	0	112.6	G449 M450 V500 D501 K504 G505 E509 L510 C511	G449-N507 WeakPolarHBondContact CA-OD1 3.46Å; M450-N507 PolarHBondContact N-OD1 3.05Å; M450-N507 VanDerWaalsContact N-OD1 3.09Å; V500-N507 HydrophobicContact CG1-CB 4.24Å; D501-N507 WeakPolarHBondContact O-CB 3.22Å; D501-N507 PolarHBondContact O-ND2 3.5Å; K504-N507 WeakPolarHBondContact O-CB 3.48Å; K504-N507 PolarHBondContact O-N 3.11Å; G505-N507 VanDerWaalsContact C-N 3.27Å; G505-N507 PolarHBondContact O-N 2.95Å; N507-E509 PolarHBondContact O-N 3.39Å; N507-L510 WeakPolarHBondContact O-CB 3.35Å; N507-L510 PolarHBondContact O-N 3.32Å; N507-C511 PolarHBondContact O-N 3.34Å; N507-C511 PolarHBondContact O-SG 3.33Å
508	Q	90.1	Very high	91.5	Very high	101 Å²	101	53.6 Å²	53.6	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-55.9	-38.3	171.8	-70.7	178.1	19.8	0	0	111.5	C502 T503 Q506 K512	C502-Q508 WeakPolarHBondContact O-CG 3.45Å; T503-Q508 PolarHBondContact O-NE2 3.39Å; Q506-Q508 PolarHBondContact O-N 3.18Å; Q508-K512 VanDerWaalsContact O-CG 3.31Å; Q508-K512 WeakPolarHBondContact O-CG 3.22Å; Q508-K512 PolarHBondContact O-N 3.11Å
509	E	89.6	Confident	91.3	Very high	83 Å²	83	57.2 Å²	57.2	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-75.1	-40.8	178	-169.8	57.5	-153.2	0	0	111.4	M450 Q506 N507 C511 K512 Q513	M450-E509 HydrophobicContact CE-CG 4.46Å; Q506-E509 WeakPolarHBondContact O-CB 3.47Å; Q506-E509 PolarHBondContact O-N 2.98Å; N507-E509 PolarHBondContact O-N 3.39Å; E509-C511 VanDerWaalsContact C-N 3.34Å; E509-C511 PolarHBondContact O-N 3.09Å; E509-K512 PolarHBondContact O-N 2.69Å; E509-K512 IonicContact OE2-NZ 2.78Å; E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 2.93Å
510	L	92	Very high	91.3	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-48.4	172.5	175	61.9	0	0	0	111.2	M450 F453 V500 Q506 N507 K512 Q513 E514	M450-L510 HydrophobicContact CB-CB 4.5Å; F453-L510 HydrophobicContact CB-CD2 3.93Å; F453-L510 HydrophobicContact CD1-CD1 3.72Å; F453-L510 HydrophobicContact CD1-CD2 4.27Å; F453-L510 HydrophobicContact CD2-CD2 3.97Å; F453-L510 HydrophobicContact CE1-CD1 4.06Å; F453-L510 HydrophobicContact CG-CD1 4.13Å; F453-L510 HydrophobicContact CG-CD2 3.81Å; V500-L510 HydrophobicContact CG1-CD2 3.84Å; V500-L510 HydrophobicContact CG2-CD2 4.39Å; Q506-L510 PolarHBondContact O-N 3.34Å; N507-L510 WeakPolarHBondContact O-CB 3.35Å; N507-L510 PolarHBondContact O-N 3.32Å; L510-K512 VanDerWaalsContact C-N 3.29Å; L510-K512 PolarHBondContact O-N 3.42Å; L510-Q513 WeakPolarHBondContact O-CB 3.4Å; L510-Q513 PolarHBondContact O-N 3.12Å; L510-Q513 VanDerWaalsContact O-N 3.13Å; L510-E514 HydrophobicContact CD1-CG 3.96Å; L510-E514 HydrophobicContact CG-CG 4.5Å; L510-E514 WeakPolarHBondContact O-CG 3.34Å; L510-E514 PolarHBondContact O-N 2.93Å
511	C	94.7	Very high	91.3	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-31.6	-179.2	-62.4	0	0	0	0	112.8	C502 N507 E509 S515 V516	C502-C511 WeakPolarHBondContact CA-SG 3.39Å; C502-C511 HydrophobicContact CB-CB 3.73Å; C502-C511 WeakPolarHBondContact CB-SG 3.48Å; C502-C511 WeakPolarHBondContact SG-CB 3.25Å; C502-C511 CovalentContact SG-SG 2.02Å; C502-C511 PolarHBondContact SG-SG 3.06Å; N507-C511 PolarHBondContact O-N 3.34Å; N507-C511 PolarHBondContact O-SG 3.33Å; E509-C511 VanDerWaalsContact C-N 3.34Å; E509-C511 PolarHBondContact O-N 3.09Å; C511-S515 PolarHBondContact O-N 3.15Å; C511-V516 HydrophobicContact CB-CB 4.15Å; C511-V516 HydrophobicContact CB-CG2 4.17Å; C511-V516 VanDerWaalsContact O-CB 3.29Å; C511-V516 WeakPolarHBondContact O-CB 3.48Å; C511-V516 WeakPolarHBondContact O-CG2 3.38Å; C511-V516 PolarHBondContact O-N 3Å
512	K	91.6	Very high	91.4	Very high	135 Å²	135	58 Å²	58	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-66.8	-45.1	170.1	-72	171.9	-170.6	170.8	0	111.8	Q508 E509 L510 E514 S515	Q508-K512 VanDerWaalsContact O-CG 3.31Å; Q508-K512 WeakPolarHBondContact O-CG 3.22Å; Q508-K512 PolarHBondContact O-N 3.11Å; E509-K512 PolarHBondContact O-N 2.69Å; E509-K512 IonicContact OE2-NZ 2.78Å; L510-K512 VanDerWaalsContact C-N 3.29Å; L510-K512 PolarHBondContact O-N 3.42Å; K512-E514 VanDerWaalsContact C-N 3.26Å; K512-E514 PolarHBondContact O-N 3.43Å; K512-S515 PolarHBondContact O-N 3.39Å
513	Q	91.3	Very high	91.5	Very high	83 Å²	83	58 Å²	58	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-38.9	177.3	-72.1	176.8	16.1	0	0	111.7	E509 L510 S515	E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 2.93Å; L510-Q513 WeakPolarHBondContact O-CB 3.4Å; L510-Q513 PolarHBondContact O-N 3.12Å; L510-Q513 VanDerWaalsContact O-N 3.13Å; Q513-S515 PolarHBondContact O-N 3.36Å
514	E	90.8	Very high	91.9	Very high	35 Å²	35	56.3 Å²	56.3	16%	0.164	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	10.9	177.4	-58.5	-58.9	156.4	0	0	113.3	F453 F467 L510 K512 V516 Y525	F453-E514 HydrophobicContact CE1-CG 4.27Å; F453-E514 HydrophobicContact CZ-CG 4.48Å; F467-E514 HydrophobicContact CE1-CB 4.1Å; F467-E514 HydrophobicContact CE1-CG 4.08Å; F467-E514 HydrophobicContact CE2-CB 4.2Å; F467-E514 HydrophobicContact CZ-CB 3.66Å; F467-E514 HydrophobicContact CZ-CG 3.7Å; L510-E514 HydrophobicContact CD1-CG 3.96Å; L510-E514 HydrophobicContact CG-CG 4.5Å; L510-E514 WeakPolarHBondContact O-CG 3.34Å; L510-E514 PolarHBondContact O-N 2.93Å; K512-E514 VanDerWaalsContact C-N 3.26Å; K512-E514 PolarHBondContact O-N 3.43Å; E514-V516 VanDerWaalsContact C-N 3.33Å; E514-V516 HydrophobicContact CB-CG2 4.32Å; E514-V516 PolarHBondContact O-N 3.3Å; E514-Y525 PolarHBondContact OE2-OH 2.96Å
515	S	90.7	Very high	92.3	Very high	73 Å²	73	51.2 Å²	51.2	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	45.3	175.8	-55.2	0	0	0	0	113.4	C511 K512 Q513 E517	C511-S515 PolarHBondContact O-N 3.15Å; K512-S515 PolarHBondContact O-N 3.39Å; Q513-S515 PolarHBondContact O-N 3.36Å; S515-E517 PolarHBondContact O-N 3.23Å
516	V	92.3	Very high	92.9	Very high	19 Å²	19	50.6 Å²	50.6	12%	0.115	25%	0.253	C	S	.	.			trans	-83.2	105.3	176.1	-178.9	0	0	0	0	109.3	F467 C511 E514 G518 Y519	F467-V516 HydrophobicContact CB-CB 4.49Å; F467-V516 HydrophobicContact CB-CG1 3.96Å; F467-V516 HydrophobicContact CB-CG2 3.7Å; F467-V516 HydrophobicContact CD1-CG2 3.9Å; F467-V516 HydrophobicContact CD2-CG2 3.71Å; F467-V516 HydrophobicContact CE1-CG2 4.43Å; F467-V516 HydrophobicContact CE2-CG2 4.27Å; F467-V516 HydrophobicContact CG-CG2 3.49Å; F467-V516 VanDerWaalsContact CG-CG2 3.49Å; C511-V516 HydrophobicContact CB-CB 4.15Å; C511-V516 HydrophobicContact CB-CG2 4.17Å; C511-V516 VanDerWaalsContact O-CB 3.29Å; C511-V516 WeakPolarHBondContact O-CB 3.48Å; C511-V516 WeakPolarHBondContact O-CG2 3.38Å; C511-V516 PolarHBondContact O-N 3Å; E514-V516 VanDerWaalsContact C-N 3.33Å; E514-V516 HydrophobicContact CB-CG2 4.32Å; E514-V516 PolarHBondContact O-N 3.3Å; V516-G518 WeakPolarHBondContact CG1-O 3.38Å; V516-Y519 HydrophobicContact CG1-CD1 3.92Å; V516-Y519 HydrophobicContact CG1-CE1 3.65Å
517	E	89.1	Confident	93.5	Very high	184 Å²	184	50.3 Å²	50.3	86%	0.86	25%	0.248	S	C	*	.			trans	-93.5	-14.1	-179.1	-65.2	175.3	175.7	0	0	113.2	S515	S515-E517 PolarHBondContact O-N 3.23Å
518	G	89.8	Confident	93.6	Very high	33 Å²	33	51 Å²	51	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	-164.8	165.3	-178.8	0	0	0	0	0	112.8	V516 T521	V516-G518 WeakPolarHBondContact CG1-O 3.38Å; G518-T521 PolarHBondContact O-OG1 3.2Å
519	Y	94.1	Very high	93.8	Very high	76 Å²	76	53.9 Å²	53.9	30%	0.298	27%	0.27	S	S	.	.	S	Bend	trans	-118.3	141.7	-174.7	-50.2	-59.8	0	0	0	112.3	A469 W471 C472 C502 V516	A469-Y519 HydrophobicContact CB-CD2 3.71Å; A469-Y519 HydrophobicContact CB-CE2 3.97Å; A469-Y519 HydrophobicContact CB-CG 4.14Å; W471-Y519 HydrophobicContact CH2-CD2 4.33Å; W471-Y519 HydrophobicContact CH2-CE2 4.47Å; W471-Y519 HydrophobicContact CZ2-CE2 4.42Å; C472-Y519 PolarHBondContact SG-O 2.9Å; C502-Y519 HydrophobicContact CB-CE1 3.54Å; C502-Y519 WeakPolarHBondContact CB-OH 3.43Å; C502-Y519 VanDerWaalsContact SG-CE1 3.6Å; V516-Y519 HydrophobicContact CG1-CD1 3.92Å; V516-Y519 HydrophobicContact CG1-CE1 3.65Å
520	P	96.5	Very high	94.1	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.019	27%	0.273	C	S	.	.	S	Bend	cis	-76	145.2	-12.9	30.4	-32.4	0	0	0	111.4	M466 F467 H474 F522	M466-P520 HydrophobicContact CE-CB 3.78Å; M466-P520 HydrophobicContact CE-CG 4.44Å; M466-P520 HydrophobicContact CG-CB 4.37Å; F467-P520 WeakPolarHBondContact O-CA 3.36Å; H474-P520 HydrophobicContact CB-CG 4.49Å; P520-F522 HydrophobicContact CB-CE2 3.79Å; P520-F522 HydrophobicContact CB-CZ 3.88Å; P520-F522 HydrophobicContact CG-CE2 3.73Å; P520-F522 HydrophobicContact CG-CZ 4.02Å
521	T	97.4	Very high	94.2	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.5	166.8	-71.9	0	0	0	0	108.9	F467 G518 N523	F467-T521 PolarHBondContact N-O 3.33Å; F467-T521 PolarHBondContact O-N 3.33Å; F467-T521 VanDerWaalsContact O-N 3.08Å; G518-T521 PolarHBondContact O-OG1 3.2Å; T521-N523 WeakPolarHBondContact CG2-OD1 3.31Å
522	F	98.1	Very high	94.1	Very high	3 Å²	3	61 Å²	61	1%	0.013	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	178.5	-60.4	-86.2	0	0	0	110.1	L464 V465 M466 A478 F482 P520 Y534 R538 F543	L464-F522 HydrophobicContact CD1-CB 4.43Å; V465-F522 CarbonylContact O-C 3.48Å; V465-F522 VanDerWaalsContact O-CA 3.26Å; V465-F522 WeakPolarHBondContact O-CA 3.4Å; M466-F522 HydrophobicContact CB-CD1 3.81Å; M466-F522 HydrophobicContact CB-CE1 3.63Å; M466-F522 HydrophobicContact CE-CE1 4.47Å; M466-F522 HydrophobicContact CE-CZ 4.24Å; M466-F522 HydrophobicContact CG-CD1 4.02Å; M466-F522 HydrophobicContact CG-CE1 3.44Å; M466-F522 VanDerWaalsContact CG-CE1 3.44Å; M466-F522 HydrophobicContact CG-CZ 4Å; M466-F522 HydrophobicContact SD-CE1 3.68Å; M466-F522 HydrophobicContact SD-CZ 4.03Å; A478-F522 HydrophobicContact CB-CZ 3.99Å; F482-F522 HydrophobicContact CD2-CD1 4.15Å; F482-F522 AromaticContact CD2-CE1 3.69Å; F482-F522 HydrophobicContact CD2-CE1 3.69Å; F482-F522 AromaticContact CE2-CD1 3.84Å; F482-F522 HydrophobicContact CE2-CD1 3.84Å; F482-F522 AromaticContact CE2-CE1 3.83Å; F482-F522 HydrophobicContact CE2-CE1 3.83Å; F482-F522 HydrophobicContact CG-CE1 4.47Å; P520-F522 HydrophobicContact CB-CE2 3.79Å; P520-F522 HydrophobicContact CB-CZ 3.88Å; P520-F522 HydrophobicContact CG-CE2 3.73Å; P520-F522 HydrophobicContact CG-CZ 4.02Å; F522-Y534 HydrophobicContact CB-CD1 3.92Å; F522-Y534 HydrophobicContact CB-CG 4.3Å; F522-Y534 HydrophobicContact CD2-CD1 4.46Å; F522-Y534 HydrophobicContact CG-CD1 4.23Å; F522-Y534 PolarHBondContact O-N 3.22Å; F522-R538 HydrophobicContact CE2-CG 4.08Å; F522-F543 AromaticContact CD1-CE1 3.9Å; F522-F543 HydrophobicContact CD1-CE1 3.9Å; F522-F543 HydrophobicContact CD1-CZ 4.23Å; F522-F543 AromaticContact CE1-CE1 3.74Å; F522-F543 HydrophobicContact CE1-CE1 3.74Å; F522-F543 AromaticContact CE1-CZ 3.59Å; F522-F543 HydrophobicContact CE1-CZ 3.59Å; F522-F543 HydrophobicContact CE2-CE1 4.4Å; F522-F543 HydrophobicContact CE2-CZ 4.18Å; F522-F543 HydrophobicContact CG-CE1 4.29Å; F522-F543 HydrophobicContact CZ-CE1 4.03Å; F522-F543 AromaticContact CZ-CZ 3.58Å; F522-F543 HydrophobicContact CZ-CZ 3.58Å
523	N	97.8	Very high	94.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.1	178.3	-71.7	-3.5	0	0	0	109.6	V465 F467 T521 Y525 F530	V465-N523 PolarHBondContact N-O 3.4Å; V465-N523 PolarHBondContact O-N 2.96Å; F467-N523 HydrophobicContact CE2-CB 4.05Å; T521-N523 WeakPolarHBondContact CG2-OD1 3.31Å; N523-Y525 HydrophobicContact CB-CD2 4.34Å; N523-Y525 HydrophobicContact CB-CE2 3.48Å; N523-Y525 VanDerWaalsContact CB-CE2 3.48Å; N523-F530 HydrophobicContact CB-CD2 4.11Å; N523-F530 HydrophobicContact CB-CE2 3.89Å
524	Y	97.6	Very high	94.5	Very high	13 Å²	13	55.3 Å²	55.3	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.9	173.8	164.4	-121	0	0	0	110.6	H462 A463 N526 A531 E532 F546 L550	H462-Y524 HydrophobicContact CB-CE2 3.92Å; H462-Y524 PolarHBondContact CE1-OH 2.96Å; H462-Y524 AromaticContact ND1-CE2 3.65Å; H462-Y524 AromaticContact ND1-CZ 3.59Å; H462-Y524 PolarHBondContact ND1-OH 3.46Å; A463-Y524 WeakPolarHBondContact O-CA 3.33Å; A463-Y524 WeakPolarHBondContact O-CD2 3.22Å; Y524-N526 PolarHBondContact OH-ND2 3.39Å; Y524-A531 HydrophobicContact CD1-CB 3.54Å; Y524-A531 HydrophobicContact CE1-CB 3.54Å; Y524-A531 HydrophobicContact CG-CB 4.41Å; Y524-A531 PolarHBondContact O-N 2.85Å; Y524-E532 HydrophobicContact CD1-CG 3.74Å; Y524-E532 PolarHBondContact N-O 2.95Å; Y524-E532 PolarHBondContact O-N 2.99Å; Y524-F546 AromaticContact CD1-CZ 3.99Å; Y524-F546 HydrophobicContact CD1-CZ 3.99Å; Y524-F546 HydrophobicContact CD2-CE1 4.21Å; Y524-F546 HydrophobicContact CD2-CZ 4.46Å; Y524-F546 AromaticContact CG-CE1 3.95Å; Y524-F546 HydrophobicContact CG-CE1 3.95Å; Y524-F546 AromaticContact CG-CZ 3.84Å; Y524-F546 HydrophobicContact CG-CZ 3.84Å; Y524-L550 HydrophobicContact CD1-CD1 4.39Å; Y524-L550 HydrophobicContact CD2-CD1 3.84Å; Y524-L550 HydrophobicContact CE1-CD1 4.07Å; Y524-L550 HydrophobicContact CE1-CD2 3.9Å; Y524-L550 HydrophobicContact CE2-CD1 3.46Å; Y524-L550 VanDerWaalsContact CE2-CD1 3.46Å; Y524-L550 HydrophobicContact CG-CD1 4.32Å
525	Y	97.6	Very high	94.6	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.1	178.1	-61.7	-104.2	0	0	0	111.1	F453 L457 A463 V465 E514 N523 K529 F530	F453-Y525 HydrophobicContact CE1-CE1 4.49Å; F453-Y525 HydrophobicContact CZ-CE1 4.47Å; F453-Y525 HydrophobicContact CZ-CE2 4.27Å; F453-Y525 AromaticContact CZ-CZ 3.97Å; L457-Y525 HydrophobicContact CD1-CD1 4.1Å; L457-Y525 HydrophobicContact CD1-CD2 4.23Å; L457-Y525 HydrophobicContact CD1-CE1 4.42Å; L457-Y525 HydrophobicContact CD1-CG 4.02Å; A463-Y525 PolarHBondContact N-O 3.42Å; A463-Y525 PolarHBondContact O-N 3.19Å; V465-Y525 HydrophobicContact CB-CD2 4.17Å; V465-Y525 HydrophobicContact CB-CE2 3.79Å; V465-Y525 HydrophobicContact CG2-CD2 3.4Å; V465-Y525 HydrophobicContact CG2-CE2 3.41Å; V465-Y525 VanDerWaalsContact CG2-CE2 3.41Å; V465-Y525 HydrophobicContact CG2-CG 4.48Å; E514-Y525 PolarHBondContact OE2-OH 2.96Å; N523-Y525 HydrophobicContact CB-CD2 4.34Å; N523-Y525 HydrophobicContact CB-CE2 3.48Å; N523-Y525 VanDerWaalsContact CB-CE2 3.48Å; Y525-K529 CarbonylContact C-O 3.5Å; Y525-K529 VanDerWaalsContact CA-O 3.24Å; Y525-K529 WeakPolarHBondContact CA-O 3.03Å; Y525-F530 HydrophobicContact CD1-CB 4.13Å; Y525-F530 HydrophobicContact CE1-CB 3.86Å; Y525-F530 HydrophobicContact CE1-CD2 4.32Å
526	N	96.4	Very high	94.6	Very high	50 Å²	50	58.6 Å²	58.6	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.4	172.5	-168.4	-71.9	0	0	0	109.9	K461 Y524 G528 K529	K461-N526 VanDerWaalsContact O-CA 3.27Å; K461-N526 WeakPolarHBondContact O-CA 3.45Å; K461-N526 VanDerWaalsContact O-CG 3.25Å; K461-N526 PolarHBondContact O-ND2 2.98Å; K461-N526 VanDerWaalsContact O-ND2 3.11Å; Y524-N526 PolarHBondContact OH-ND2 3.39Å; N526-G528 VanDerWaalsContact C-N 3.26Å; N526-G528 PolarHBondContact O-N 3.41Å; N526-K529 PolarHBondContact N-O 3.15Å; N526-K529 WeakPolarHBondContact O-CB 3.37Å; N526-K529 PolarHBondContact O-N 3.24Å
527	Y	95.6	Very high	94.6	Very high	116 Å²	116	62.7 Å²	62.7	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	47.8	-173.4	-62.6	-68.9	0	0	0	113	L457 K460 K461 K529	L457-Y527 CarbonylContact O-C 3.4Å; K460-Y527 VanDerWaalsContact O-CA 3.26Å; K460-Y527 WeakPolarHBondContact O-CA 3.44Å; K460-Y527 PolarHBondContact O-N 3.43Å; K461-Y527 HydrophobicContact CB-CE1 3.81Å; K461-Y527 HydrophobicContact CB-CE2 4.13Å; K461-Y527 HydrophobicContact CD-CE2 4.24Å; K461-Y527 WeakPolarHBondContact CD-OH 3.28Å; K461-Y527 HydrophobicContact CG-CD2 4.44Å; K461-Y527 HydrophobicContact CG-CE1 4.26Å; K461-Y527 HydrophobicContact CG-CE2 3.65Å; K461-Y527 WeakPolarHBondContact CG-OH 3.26Å; Y527-K529 PolarHBondContact O-N 3.35Å
528	G	92.7	Very high	94.9	Very high	29 Å²	29	59.2 Å²	59.2	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-1.3	179.4	0	0	0	0	0	115.6	L457 N526	L457-G528 PolarHBondContact O-N 3.04Å; N526-G528 VanDerWaalsContact C-N 3.26Å; N526-G528 PolarHBondContact O-N 3.41Å
529	K	94.4	Very high	95	Very high	162 Å²	162	58.3 Å²	58.3	70%	0.704	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.7	173.5	-62.2	-178.2	-178.4	176.8	0	109.7	Y525 N526 Y527 A531	Y525-K529 CarbonylContact C-O 3.5Å; Y525-K529 VanDerWaalsContact CA-O 3.24Å; Y525-K529 WeakPolarHBondContact CA-O 3.03Å; N526-K529 PolarHBondContact N-O 3.15Å; N526-K529 WeakPolarHBondContact O-CB 3.37Å; N526-K529 PolarHBondContact O-N 3.24Å; Y527-K529 PolarHBondContact O-N 3.35Å; K529-A531 PolarHBondContact O-N 3.35Å
530	F	95.6	Very high	95	Very high	104 Å²	104	58.5 Å²	58.5	46%	0.456	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	127.7	170.3	174.4	-98.2	0	0	0	109.6	N523 Y525 K533	N523-F530 HydrophobicContact CB-CD2 4.11Å; N523-F530 HydrophobicContact CB-CE2 3.89Å; Y525-F530 HydrophobicContact CD1-CB 4.13Å; Y525-F530 HydrophobicContact CE1-CB 3.86Å; Y525-F530 HydrophobicContact CE1-CD2 4.32Å; F530-K533 HydrophobicContact CE2-CG 4.22Å; F530-K533 HydrophobicContact CZ-CG 3.92Å
531	A	93.9	Very high	94.9	Very high	53 Å²	53	62.2 Å²	62.2	44%	0.438	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-58.2	-179.4	0	0	0	0	0	111.1	Y524 K529	Y524-A531 HydrophobicContact CD1-CB 3.54Å; Y524-A531 HydrophobicContact CE1-CB 3.54Å; Y524-A531 HydrophobicContact CG-CB 4.41Å; Y524-A531 PolarHBondContact O-N 2.85Å; K529-A531 PolarHBondContact O-N 3.35Å
532	E	93.3	Very high	94.8	Very high	81 Å²	81	61.7 Å²	61.7	38%	0.379	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	157.2	179.5	49.1	179.6	174.1	0	0	111.7	Y524	Y524-E532 HydrophobicContact CD1-CG 3.74Å; Y524-E532 PolarHBondContact N-O 2.95Å; Y524-E532 PolarHBondContact O-N 2.99Å
533	K	94.7	Very high	94.8	Very high	87 Å²	87	61.6 Å²	61.6	38%	0.378	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.3	167	-64.5	-164.5	174.1	-177.3	0	109	F530 N535	F530-K533 HydrophobicContact CE2-CG 4.22Å; F530-K533 HydrophobicContact CZ-CG 3.92Å; K533-N535 PolarHBondContact O-N 3.39Å
534	Y	95.6	Very high	94.8	Very high	13 Å²	13	62.6 Å²	62.6	5%	0.051	33%	0.334	C	S	.	.			trans	-83.3	110.3	173.2	175.8	-98.8	0	0	0	110	L464 F522 G536 D537 G542 F543 F546	L464-Y534 HydrophobicContact CD1-CG 4.21Å; F522-Y534 HydrophobicContact CB-CD1 3.92Å; F522-Y534 HydrophobicContact CB-CG 4.3Å; F522-Y534 HydrophobicContact CD2-CD1 4.46Å; F522-Y534 HydrophobicContact CG-CD1 4.23Å; F522-Y534 PolarHBondContact O-N 3.22Å; Y534-G536 VanDerWaalsContact CZ-CA 3.44Å; Y534-D537 PolarHBondContact OH-N 2.69Å; Y534-D537 PolarHBondContact OH-O 3.25Å; Y534-G542 WeakPolarHBondContact OH-CA 3.49Å; Y534-G542 PolarHBondContact OH-O 3.05Å; Y534-F543 HydrophobicContact CD1-CD1 4.24Å; Y534-F543 AromaticContact CD1-CE1 3.94Å; Y534-F543 HydrophobicContact CD1-CE1 3.94Å; Y534-F543 AromaticContact CE1-CD1 3.65Å; Y534-F543 HydrophobicContact CE1-CD1 3.65Å; Y534-F543 AromaticContact CE1-CE1 3.51Å; Y534-F543 HydrophobicContact CE1-CE1 3.51Å; Y534-F546 HydrophobicContact CD2-CB 4.14Å; Y534-F546 AromaticContact CD2-CD1 3.86Å; Y534-F546 HydrophobicContact CD2-CD1 3.86Å; Y534-F546 AromaticContact CD2-CD2 3.73Å; Y534-F546 HydrophobicContact CD2-CD2 3.73Å; Y534-F546 HydrophobicContact CD2-CE1 4.18Å; Y534-F546 HydrophobicContact CD2-CE2 4.06Å; Y534-F546 AromaticContact CD2-CG 3.62Å; Y534-F546 HydrophobicContact CD2-CG 3.62Å; Y534-F546 HydrophobicContact CD2-CZ 4.27Å; Y534-F546 HydrophobicContact CE2-CB 3.55Å; Y534-F546 HydrophobicContact CE2-CD1 4.14Å; Y534-F546 AromaticContact CE2-CD2 3.81Å; Y534-F546 HydrophobicContact CE2-CD2 3.81Å; Y534-F546 AromaticContact CE2-CG 3.56Å; Y534-F546 HydrophobicContact CE2-CG 3.56Å
535	N	92.5	Very high	94.7	Very high	143 Å²	143	63.7 Å²	63.7	77%	0.765	35%	0.349	S	S	*	.			trans	-109.9	14.8	178.4	-62.9	-41.8	0	0	0	112.5	K533	K533-N535 PolarHBondContact O-N 3.39Å
536	G	91.1	Very high	94.6	Very high	33 Å²	33	64.8 Å²	64.8	34%	0.34	35%	0.354	S	S	.	.	S	Bend	trans	-76.4	-176.2	179.1	0	0	0	0	0	113.2	Y534	Y534-G536 VanDerWaalsContact CZ-CA 3.44Å
537	D	93.3	Very high	94.6	Very high	105 Å²	105	62.4 Å²	62.4	56%	0.561	34%	0.341	S	S	*	.			trans	-58.3	134.4	177.1	177.8	59.2	0	0	0	112.1	Y534 G539 G542	Y534-D537 PolarHBondContact OH-N 2.69Å; Y534-D537 PolarHBondContact OH-O 3.25Å; D537-G539 VanDerWaalsContact C-N 3.27Å; D537-G539 PolarHBondContact O-N 2.84Å; D537-G539 WeakPolarHBondContact OD2-CA 3.21Å; D537-G539 PolarHBondContact OD2-N 2.93Å; D537-G542 WeakPolarHBondContact O-CA 3.49Å
538	R	94.3	Very high	94.6	Very high	111 Å²	111	64.1 Å²	64.1	42%	0.419	35%	0.347	S	S	.	.	S	Bend	trans	-91.5	13.4	-175.5	-61	178	-178.4	-171.4	-2.8	112.9	F522 F543	F522-R538 HydrophobicContact CE2-CG 4.08Å; R538-F543 HydrophobicContact CB-CZ 4.18Å; R538-F543 VanDerWaalsContact O-CE2 3.29Å; R538-F543 WeakPolarHBondContact O-CE2 3.47Å
539	G	93.4	Very high	94.6	Very high	14 Å²	14	65 Å²	65	14%	0.144	35%	0.349	C	S	.	.	S	Bend	trans	-89	174.7	169	0	0	0	0	0	112.5	D537 A541 G542 F543	D537-G539 VanDerWaalsContact C-N 3.27Å; D537-G539 PolarHBondContact O-N 2.84Å; D537-G539 WeakPolarHBondContact OD2-CA 3.21Å; D537-G539 PolarHBondContact OD2-N 2.93Å; G539-A541 VanDerWaalsContact C-N 3.33Å; G539-A541 PolarHBondContact O-N 3.23Å; G539-G542 PolarHBondContact O-N 2.93Å; G539-G542 VanDerWaalsContact O-N 3.15Å; G539-F543 WeakPolarHBondContact O-CD2 3.46Å; G539-F543 PolarHBondContact O-N 3.21Å
540	E	92.6	Very high	94.5	Very high	81 Å²	81	57.6 Å²	57.6	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-55.7	-46.9	-178.3	-75.2	165.8	-162.6	0	0	112.4	H481 T484 G542 F543 I544	H481-E540 HydrophobicContact CB-CG 3.77Å; H481-E540 WeakPolarHBondContact ND1-CG 3.4Å; H481-E540 IonicContact ND1-OE1 3.2Å; H481-E540 PolarHBondContact ND1-OE1 2.89Å; T484-E540 HydrophobicContact CG2-CG 4.11Å; E540-G542 VanDerWaalsContact C-N 3.27Å; E540-G542 PolarHBondContact O-N 2.78Å; E540-F543 PolarHBondContact O-N 3.04Å; E540-I544 HydrophobicContact CB-CD1 4.41Å; E540-I544 WeakPolarHBondContact O-CB 3.48Å; E540-I544 WeakPolarHBondContact O-CD1 3.22Å; E540-I544 WeakPolarHBondContact O-CG1 3.39Å; E540-I544 PolarHBondContact O-N 3.3Å
541	A	94.4	Very high	94.1	Very high	80 Å²	80	57.5 Å²	57.5	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-60.7	-38.5	-179.4	0	0	0	0	0	111.9	G539 G545	G539-A541 VanDerWaalsContact C-N 3.33Å; G539-A541 PolarHBondContact O-N 3.23Å; A541-G545 WeakPolarHBondContact O-CA 3.25Å; A541-G545 PolarHBondContact O-N 3.34Å
542	G	96.3	Very high	93.7	Very high	13 Å²	13	57 Å²	57	13%	0.134	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-51.8	178.6	0	0	0	0	0	112.7	Y534 D537 G539 E540 F546	Y534-G542 WeakPolarHBondContact OH-CA 3.49Å; Y534-G542 PolarHBondContact OH-O 3.05Å; D537-G542 WeakPolarHBondContact O-CA 3.49Å; G539-G542 PolarHBondContact O-N 2.93Å; G539-G542 VanDerWaalsContact O-N 3.15Å; E540-G542 VanDerWaalsContact C-N 3.27Å; E540-G542 PolarHBondContact O-N 2.78Å; G542-F546 WeakPolarHBondContact O-CB 3.22Å; G542-F546 PolarHBondContact O-N 3.49Å
543	F	97.8	Very high	93.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-46.9	179.6	-65.6	-47.7	0	0	0	112.1	L464 H481 F482 A485 Y497 F522 Y534 R538 G539 E540 F546 M547	L464-F543 HydrophobicContact CD2-CD1 3.78Å; L464-F543 HydrophobicContact CD2-CE1 4.41Å; H481-F543 HydrophobicContact CB-CD2 4.29Å; H481-F543 HydrophobicContact CB-CE2 4.17Å; F482-F543 HydrophobicContact CB-CD2 4.34Å; F482-F543 HydrophobicContact CB-CE2 4.02Å; F482-F543 HydrophobicContact CD2-CD1 4.14Å; F482-F543 HydrophobicContact CD2-CD2 4.14Å; F482-F543 AromaticContact CD2-CE1 3.98Å; F482-F543 HydrophobicContact CD2-CE1 3.98Å; F482-F543 AromaticContact CD2-CE2 3.98Å; F482-F543 HydrophobicContact CD2-CE2 3.98Å; F482-F543 HydrophobicContact CD2-CG 4.23Å; F482-F543 AromaticContact CD2-CZ 3.91Å; F482-F543 HydrophobicContact CD2-CZ 3.91Å; F482-F543 HydrophobicContact CE2-CE1 4.46Å; A485-F543 HydrophobicContact CB-CB 3.71Å; Y497-F543 HydrophobicContact CE1-CB 4.19Å; Y497-F543 PolarHBondContact OH-O 3.14Å; F522-F543 AromaticContact CD1-CE1 3.9Å; F522-F543 HydrophobicContact CD1-CE1 3.9Å; F522-F543 HydrophobicContact CD1-CZ 4.23Å; F522-F543 AromaticContact CE1-CE1 3.74Å; F522-F543 HydrophobicContact CE1-CE1 3.74Å; F522-F543 AromaticContact CE1-CZ 3.59Å; F522-F543 HydrophobicContact CE1-CZ 3.59Å; F522-F543 HydrophobicContact CE2-CE1 4.4Å; F522-F543 HydrophobicContact CE2-CZ 4.18Å; F522-F543 HydrophobicContact CG-CE1 4.29Å; F522-F543 HydrophobicContact CZ-CE1 4.03Å; F522-F543 AromaticContact CZ-CZ 3.58Å; F522-F543 HydrophobicContact CZ-CZ 3.58Å; Y534-F543 HydrophobicContact CD1-CD1 4.24Å; Y534-F543 AromaticContact CD1-CE1 3.94Å; Y534-F543 HydrophobicContact CD1-CE1 3.94Å; Y534-F543 AromaticContact CE1-CD1 3.65Å; Y534-F543 HydrophobicContact CE1-CD1 3.65Å; Y534-F543 AromaticContact CE1-CE1 3.51Å; Y534-F543 HydrophobicContact CE1-CE1 3.51Å; R538-F543 HydrophobicContact CB-CZ 4.18Å; R538-F543 VanDerWaalsContact O-CE2 3.29Å; R538-F543 WeakPolarHBondContact O-CE2 3.47Å; G539-F543 WeakPolarHBondContact O-CD2 3.46Å; G539-F543 PolarHBondContact O-N 3.21Å; E540-F543 PolarHBondContact O-N 3.04Å; F543-F546 PolarHBondContact O-N 2.91Å; F543-M547 PolarHBondContact O-N 3.28Å
544	I	97	Very high	92.6	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-46.3	179.6	-66.5	167.1	0	0	0	110.7	A485 L488 F489 E540 F546 M547 R548	A485-I544 HydrophobicContact CB-CG1 3.82Å; L488-I544 HydrophobicContact CD2-CB 4.4Å; L488-I544 HydrophobicContact CD2-CD1 3.74Å; L488-I544 HydrophobicContact CD2-CG1 3.83Å; L488-I544 HydrophobicContact CD2-CG2 3.68Å; F489-I544 HydrophobicContact CE2-CG1 4.43Å; F489-I544 HydrophobicContact CE2-CG2 4.31Å; F489-I544 HydrophobicContact CZ-CG2 4.35Å; E540-I544 HydrophobicContact CB-CD1 4.41Å; E540-I544 WeakPolarHBondContact O-CB 3.48Å; E540-I544 WeakPolarHBondContact O-CD1 3.22Å; E540-I544 WeakPolarHBondContact O-CG1 3.39Å; E540-I544 PolarHBondContact O-N 3.3Å; I544-F546 VanDerWaalsContact C-N 3.34Å; I544-F546 PolarHBondContact O-N 3.5Å; I544-M547 PolarHBondContact O-N 3.43Å; I544-R548 HydrophobicContact CG2-CG 4.36Å; I544-R548 WeakPolarHBondContact O-CG 3.39Å; I544-R548 PolarHBondContact O-N 2.71Å
545	G	96.2	Very high	91.6	Very high	36 Å²	36	62.8 Å²	62.8	37%	0.371	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-43.4	180	0	0	0	0	0	112	A541 M547 R548 S549	A541-G545 WeakPolarHBondContact O-CA 3.25Å; A541-G545 PolarHBondContact O-N 3.34Å; G545-M547 PolarHBondContact O-N 3.2Å; G545-R548 PolarHBondContact O-N 3.3Å; G545-S549 PolarHBondContact O-N 3.38Å
546	F	96.3	Very high	90.3	Very high	27 Å²	27	57.7 Å²	57.7	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-50.8	176	179.3	-109.1	0	0	0	112	L464 Y524 Y534 G542 F543 I544 R548 S549 L550	L464-F546 HydrophobicContact CD1-CD1 4.44Å; L464-F546 HydrophobicContact CD1-CE1 4.13Å; L464-F546 HydrophobicContact CD2-CD1 4.41Å; Y524-F546 AromaticContact CD1-CZ 3.99Å; Y524-F546 HydrophobicContact CD1-CZ 3.99Å; Y524-F546 HydrophobicContact CD2-CE1 4.21Å; Y524-F546 HydrophobicContact CD2-CZ 4.46Å; Y524-F546 AromaticContact CG-CE1 3.95Å; Y524-F546 HydrophobicContact CG-CE1 3.95Å; Y524-F546 AromaticContact CG-CZ 3.84Å; Y524-F546 HydrophobicContact CG-CZ 3.84Å; Y534-F546 HydrophobicContact CD2-CB 4.14Å; Y534-F546 AromaticContact CD2-CD1 3.86Å; Y534-F546 HydrophobicContact CD2-CD1 3.86Å; Y534-F546 AromaticContact CD2-CD2 3.73Å; Y534-F546 HydrophobicContact CD2-CD2 3.73Å; Y534-F546 HydrophobicContact CD2-CE1 4.18Å; Y534-F546 HydrophobicContact CD2-CE2 4.06Å; Y534-F546 AromaticContact CD2-CG 3.62Å; Y534-F546 HydrophobicContact CD2-CG 3.62Å; Y534-F546 HydrophobicContact CD2-CZ 4.27Å; Y534-F546 HydrophobicContact CE2-CB 3.55Å; Y534-F546 HydrophobicContact CE2-CD1 4.14Å; Y534-F546 AromaticContact CE2-CD2 3.81Å; Y534-F546 HydrophobicContact CE2-CD2 3.81Å; Y534-F546 AromaticContact CE2-CG 3.56Å; Y534-F546 HydrophobicContact CE2-CG 3.56Å; G542-F546 WeakPolarHBondContact O-CB 3.22Å; G542-F546 PolarHBondContact O-N 3.49Å; F543-F546 PolarHBondContact O-N 2.91Å; I544-F546 VanDerWaalsContact C-N 3.34Å; I544-F546 PolarHBondContact O-N 3.5Å; F546-R548 PolarHBondContact O-N 2.99Å; F546-S549 WeakPolarHBondContact O-CB 3.32Å; F546-S549 PolarHBondContact O-N 3.25Å; F546-S549 VanDerWaalsContact O-N 3.13Å; F546-S549 PolarHBondContact O-OG 2.98Å; F546-L550 HydrophobicContact CD1-CD1 4.16Å; F546-L550 HydrophobicContact CE1-CD1 3.62Å; F546-L550 HydrophobicContact CZ-CD1 3.82Å; F546-L550 HydrophobicContact CZ-CG 4.4Å; F546-L550 PolarHBondContact O-N 2.92Å
547	M	95.4	Very high	88.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-37	-178.4	-163.6	63.3	72.9	0	0	112.4	H462 L464 F489 I495 Y497 F543 I544 G545 S549 L550 R551	H462-M547 HydrophobicContact CB-SD 3.71Å; L464-M547 HydrophobicContact CB-CE 3.8Å; F489-M547 HydrophobicContact CD1-CG 4.41Å; F489-M547 HydrophobicContact CD2-CB 4.44Å; F489-M547 HydrophobicContact CD2-CG 4.25Å; F489-M547 HydrophobicContact CE1-CG 4.23Å; F489-M547 HydrophobicContact CE2-CB 3.86Å; F489-M547 HydrophobicContact CE2-CG 4.07Å; F489-M547 HydrophobicContact CG-CG 4.43Å; F489-M547 HydrophobicContact CZ-CB 3.9Å; F489-M547 HydrophobicContact CZ-CG 4.06Å; I495-M547 HydrophobicContact CD1-CG 3.78Å; I495-M547 HydrophobicContact CD1-SD 4.19Å; I495-M547 HydrophobicContact CG1-CG 4.35Å; I495-M547 HydrophobicContact CG1-SD 4.16Å; I495-M547 HydrophobicContact CG2-CE 3.84Å; I495-M547 HydrophobicContact CG2-CG 3.8Å; I495-M547 HydrophobicContact CG2-SD 3.71Å; Y497-M547 HydrophobicContact CD2-CE 4.4Å; Y497-M547 HydrophobicContact CE2-CE 3.77Å; Y497-M547 HydrophobicContact CE2-CG 4.32Å; Y497-M547 WeakPolarHBondContact OH-CB 3.41Å; F543-M547 PolarHBondContact O-N 3.28Å; I544-M547 PolarHBondContact O-N 3.43Å; G545-M547 PolarHBondContact O-N 3.2Å; M547-S549 VanDerWaalsContact C-N 3.34Å; M547-S549 PolarHBondContact O-N 3.03Å; M547-L550 PolarHBondContact O-N 2.91Å; M547-L550 HydrophobicContact SD-CD1 4.2Å; M547-R551 PolarHBondContact O-N 2.99Å
548	R	94.9	Very high	87.1	Confident	152 Å²	152	66.3 Å²	66.3	57%	0.574	34%	0.337	S	S	*	.	H	α-helix	trans	-61.6	-40.5	171.7	-73.4	178.3	178	166.4	-0.4	112	F489 I544 G545 F546 L550 R551 G552	F489-R548 HydrophobicContact CZ-CG 4.06Å; I544-R548 HydrophobicContact CG2-CG 4.36Å; I544-R548 WeakPolarHBondContact O-CG 3.39Å; I544-R548 PolarHBondContact O-N 2.71Å; G545-R548 PolarHBondContact O-N 3.3Å; F546-R548 PolarHBondContact O-N 2.99Å; R548-L550 VanDerWaalsContact C-N 3.28Å; R548-L550 PolarHBondContact O-N 2.98Å; R548-R551 PolarHBondContact O-N 2.97Å; R548-G552 PolarHBondContact O-N 3.45Å
549	S	93.8	Very high	85.2	Confident	47 Å²	47	69.5 Å²	69.5	33%	0.329	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-36.6	178.5	86	0	0	0	0	112.5	G545 F546 M547 G552 R553	G545-S549 PolarHBondContact O-N 3.38Å; F546-S549 WeakPolarHBondContact O-CB 3.32Å; F546-S549 PolarHBondContact O-N 3.25Å; F546-S549 VanDerWaalsContact O-N 3.13Å; F546-S549 PolarHBondContact O-OG 2.98Å; M547-S549 VanDerWaalsContact C-N 3.34Å; M547-S549 PolarHBondContact O-N 3.03Å; S549-G552 PolarHBondContact O-N 3.33Å; S549-R553 WeakPolarHBondContact O-CG 3.44Å; S549-R553 PolarHBondContact O-N 3.06Å; S549-R553 PolarHBondContact O-NE 3.4Å; S549-R553 PolarHBondContact OG-NH2 3.4Å
550	L	92.1	Very high	83.2	Confident	7 Å²	7	76.9 Å²	76.9	4%	0.037	39%	0.385	C	S	.	.	H	α-helix	trans	-68.9	-43.4	177.5	-67.5	172.8	0	0	0	111	Y524 F546 M547 R548 G552 R553 D554	Y524-L550 HydrophobicContact CD1-CD1 4.39Å; Y524-L550 HydrophobicContact CD2-CD1 3.84Å; Y524-L550 HydrophobicContact CE1-CD1 4.07Å; Y524-L550 HydrophobicContact CE1-CD2 3.9Å; Y524-L550 HydrophobicContact CE2-CD1 3.46Å; Y524-L550 VanDerWaalsContact CE2-CD1 3.46Å; Y524-L550 HydrophobicContact CG-CD1 4.32Å; F546-L550 HydrophobicContact CD1-CD1 4.16Å; F546-L550 HydrophobicContact CE1-CD1 3.62Å; F546-L550 HydrophobicContact CZ-CD1 3.82Å; F546-L550 HydrophobicContact CZ-CG 4.4Å; F546-L550 PolarHBondContact O-N 2.92Å; M547-L550 PolarHBondContact O-N 2.91Å; M547-L550 HydrophobicContact SD-CD1 4.2Å; R548-L550 VanDerWaalsContact C-N 3.28Å; R548-L550 PolarHBondContact O-N 2.98Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 3.47Å; L550-R553 PolarHBondContact O-N 3.19Å; L550-D554 PolarHBondContact O-N 2.92Å; L550-D554 VanDerWaalsContact O-N 3.16Å
551	R	87.4	Confident	81	Confident	102 Å²	102	81 Å²	81	39%	0.385	40%	0.404	S	S	.	.	H	α-helix	trans	-59.9	-38.6	173.3	-70.1	-176.7	67.4	-179.4	-2.8	112.8	D492 I495 M547 R548 D554 Q555	D492-R551 IonicContact OD2-CZ 2.8Å; D492-R551 IonicContact OD2-NE 3.92Å; D492-R551 IonicContact OD2-NH1 2.69Å; I495-R551 HydrophobicContact CD1-CG 3.84Å; M547-R551 PolarHBondContact O-N 2.99Å; R548-R551 PolarHBondContact O-N 2.97Å; R551-D554 WeakPolarHBondContact O-CB 3.31Å; R551-D554 PolarHBondContact O-N 3.38Å; R551-Q555 PolarHBondContact O-N 2.89Å
552	G	84.6	Confident	78.5	Confident	41 Å²	41	86.3 Å²	86.3	42%	0.423	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-45	176.7	0	0	0	0	0	112.2	R548 S549 L550 D554 Q555 G556	R548-G552 PolarHBondContact O-N 3.45Å; S549-G552 PolarHBondContact O-N 3.33Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 3.47Å; G552-D554 VanDerWaalsContact C-N 3.28Å; G552-D554 PolarHBondContact O-N 2.73Å; G552-Q555 PolarHBondContact O-N 3.14Å; G552-G556 PolarHBondContact O-N 3.46Å; G552-G556 VanDerWaalsContact O-N 3.08Å
553	R	84.3	Confident	77.6	Confident	131 Å²	131	90 Å²	90	49%	0.494	43%	0.434	S	S	.	.	H	α-helix	trans	-60.6	-36.5	177.3	-73.8	-178.4	-103.9	178.3	-5.5	112.7	S549 L550 K557	S549-R553 WeakPolarHBondContact O-CG 3.44Å; S549-R553 PolarHBondContact O-N 3.06Å; S549-R553 PolarHBondContact O-NE 3.4Å; S549-R553 PolarHBondContact OG-NH2 3.4Å; L550-R553 PolarHBondContact O-N 3.19Å; R553-K557 PolarHBondContact O-N 3.28Å
554	D	82	Confident	76.6	Confident	45 Å²	45	94.7 Å²	94.7	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-39.5	175.5	-84.2	-12.8	0	0	0	113.8	K461 H462 L550 R551 G552 R558	K461-D554 WeakPolarHBondContact CD-OD2 3.47Å; K461-D554 VanDerWaalsContact CE-CG 3.47Å; K461-D554 VanDerWaalsContact CE-OD1 3.22Å; K461-D554 WeakPolarHBondContact CE-OD1 3.3Å; K461-D554 WeakPolarHBondContact CE-OD2 3.49Å; K461-D554 IonicContact NZ-OD1 3.84Å; K461-D554 PolarHBondContact NZ-OD1 3.2Å; K461-D554 IonicContact NZ-OD2 3.8Å; K461-D554 PolarHBondContact NZ-OD2 3.06Å; H462-D554 IonicContact CD2-OD2 2.67Å; H462-D554 IonicContact CE1-OD1 2.63Å; H462-D554 IonicContact CE1-OD2 3.61Å; H462-D554 IonicContact NE2-OD1 3.22Å; H462-D554 IonicContact NE2-OD2 3.46Å; H462-D554 PolarHBondContact NE2-OD2 2.94Å; L550-D554 PolarHBondContact O-N 2.92Å; L550-D554 VanDerWaalsContact O-N 3.16Å; R551-D554 WeakPolarHBondContact O-CB 3.31Å; R551-D554 PolarHBondContact O-N 3.38Å; G552-D554 VanDerWaalsContact C-N 3.28Å; G552-D554 PolarHBondContact O-N 2.73Å; D554-R558 PolarHBondContact O-N 2.99Å
555	Q	73.6	Confident	75.4	Confident	127 Å²	127	98.7 Å²	98.7	59%	0.593	48%	0.476	S	S	*	.	H	α-helix	trans	-75.4	-33.8	-179.4	-68.8	179.2	2.3	0	0	111.9	R551 G552 K559	R551-Q555 PolarHBondContact O-N 2.89Å; G552-Q555 PolarHBondContact O-N 3.14Å; Q555-K559 PolarHBondContact O-N 3.47Å
556	G	65.9	Low	74.2	Confident	36 Å²	36	102.4 Å²	102.4	37%	0.371	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-49.6	174.4	0	0	0	0	0	112.5	G552 R558 K559 E560	G552-G556 PolarHBondContact O-N 3.46Å; G552-G556 VanDerWaalsContact O-N 3.08Å; G556-R558 VanDerWaalsContact C-N 3.28Å; G556-R558 PolarHBondContact O-N 3.28Å; G556-K559 PolarHBondContact O-N 3.48Å; G556-E560 PolarHBondContact O-N 3.27Å
557	K	60.5	Low	72.8	Confident	137 Å²	137	107.1 Å²	107.1	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-59.2	-37.4	178.2	-73.5	-172	175.1	-170	0	113.3	R553 K559 E560 E561	R553-K557 PolarHBondContact O-N 3.28Å; K557-K559 VanDerWaalsContact C-N 3.27Å; K557-K559 PolarHBondContact O-N 3Å; K557-E560 PolarHBondContact O-N 3.25Å; K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 3.02Å; K557-E561 VanDerWaalsContact O-N 3.15Å
558	R	56.8	Low	71.3	Confident	183 Å²	183	114.2 Å²	114.2	69%	0.691	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-25.7	178.2	-159.3	178.5	-170.3	-167.8	1.5	113	D554 G556 L562	D554-R558 PolarHBondContact O-N 2.99Å; G556-R558 VanDerWaalsContact C-N 3.28Å; G556-R558 PolarHBondContact O-N 3.28Å; R558-L562 HydrophobicContact CG-CD1 4.36Å; R558-L562 WeakPolarHBondContact O-CD1 3.22Å
559	K	54.5	Low	69.7	Low	178 Å²	178	111.5 Å²	111.5	77%	0.774	54%	0.536	S	S	*	.	H	α-helix	trans	-83.1	-19.8	176	-81.5	-172.4	174.8	-175	0	113.6	Q555 G556 K557	Q555-K559 PolarHBondContact O-N 3.47Å; G556-K559 PolarHBondContact O-N 3.48Å; K557-K559 VanDerWaalsContact C-N 3.27Å; K557-K559 PolarHBondContact O-N 3Å
560	E	51	Low	67.8	Low	169 Å²	169	116.5 Å²	116.5	79%	0.79	55%	0.552	S	S	*	*	H	α-helix	trans	-89.7	-23	174.9	-72.1	176.9	162.2	0	0	112.5	G556 K557	G556-E560 PolarHBondContact O-N 3.27Å; K557-E560 PolarHBondContact O-N 3.25Å
561	E	46.5	Very low	65.8	Low	167 Å²	167	125.6 Å²	125.6	78%	0.78	60%	0.595	S	S	*	*			trans	-89.2	-9.4	176.8	-71.5	177.6	169	0	0	114.1	K557	K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 3.02Å; K557-E561 VanDerWaalsContact O-N 3.15Å
562	L	42.3	Very low	63.8	Low	191 Å²	191	127.7 Å²	127.7	100%	1	61%	0.614	S	S	*	*			trans	-103.1	0	172.9	-86.9	163.5	0	0	0	109.3	R558	R558-L562 HydrophobicContact CG-CD1 4.36Å; R558-L562 WeakPolarHBondContact O-CD1 3.22Å

Retrieved 562 of 562 residues in 208.2 ms (Link to these results)

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