A0A087X8S9_POEFO Loading...

C-type lectin domain containing 11A

AlphaFold DB , UniProt , Accession A0A087X8S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 268 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	42.7	Very low	37.4	Very low	251 Å²	251	140.4 Å²	140.4	100%	1.236	82%	0.819	S	S	*	*				0	94.7	0	-78.7	159.3	159.2	0	0	107.8
2	G	30.5	Very low	37.1	Very low	72 Å²	72	137.1 Å²	137.1	74%	0.742	81%	0.808	S	S	*	*			trans	-89.7	-152.9	154.8	0	0	0	0	0	109.1
3	P	53.4	Low	37.2	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	81%	0.814	S	S	*	*				-138.8	173.6	-50.5	35.5	-19.2	0	0	0	111.6
4	A	37.5	Very low	37	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	80%	0.804	S	S	*	*			trans	-175	115.4	149.4	0	0	0	0	0	107.6
5	A	35	Very low	36.9	Very low	92 Å²	92	139.9 Å²	139.9	76%	0.76	80%	0.804	S	S	*	*			cis	77.4	110.1	46.5	0	0	0	0	0	114.4
6	T	36.2	Very low	36.6	Very low	140 Å²	140	140.9 Å²	140.9	86%	0.859	81%	0.805	S	S	*	*			trans	176.1	105.8	135.1	33.3	0	0	0	0	106.8
7	S	33	Very low	36.4	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	79%	0.793	S	S	*	*				72.8	107.5	70.5	-161.2	0	0	0	0	113.7
8	Y	35.6	Very low	36.3	Very low	242 Å²	242	138.2 Å²	138.2	95%	0.949	80%	0.796	S	S	*	*			trans	-145.1	138.3	144.7	-88.1	-74.9	0	0	0	109.3
9	T	34.8	Very low	36.6	Very low	98 Å²	98	136.9 Å²	136.9	60%	0.601	79%	0.793	S	S	*	*			trans	-128	159.3	-165	-22.5	0	0	0	0	109.4
10	F	35.2	Very low	36.6	Very low	177 Å²	177	136.2 Å²	136.2	78%	0.776	79%	0.79	S	S	*	*			trans	72.1	143	162.4	-74	-74.6	0	0	0	117.1
11	L	37.7	Very low	36.4	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	80%	0.795	S	S	*	*			cis	-145.5	137.4	21.1	-84.5	99.5	0	0	0	107.4
12	C	33.9	Very low	36	Very low	101 Å²	101	135.1 Å²	135.1	68%	0.682	78%	0.777	S	S	*	*				49	106.3	67.7	-153	0	0	0	0	115.4
13	L	38.8	Very low	36.3	Very low	171 Å²	171	139.6 Å²	139.6	90%	0.895	78%	0.782	S	S	*	*			trans	-157	114.9	139.7	-97	175.1	0	0	0	110
14	C	34.4	Very low	35.3	Very low	99 Å²	99	140.5 Å²	140.5	67%	0.669	78%	0.78	S	S	*	*			trans	-84.6	-176	162.2	-70.2	0	0	0	0	110.7
15	F	34.9	Very low	34.9	Very low	184 Å²	184	141 Å²	141	81%	0.807	78%	0.784	S	S	*	*			trans	92.6	131.6	166.6	-65.4	-87.2	0	0	0	114
16	L	32.9	Very low	34.9	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	79%	0.786	S	S	*	*			cis	-161.6	159.4	9.9	-103.5	155.4	0	0	0	111.7
17	A	33.3	Very low	35.5	Very low	74 Å²	74	140.3 Å²	140.3	61%	0.612	78%	0.782	S	S	*	*			trans	-96.1	152.5	170.5	0	0	0	0	0	112.3
18	L	33.9	Very low	35.4	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	80%	0.795	S	S	*	*			trans	69.1	164.4	149.6	-68.7	162.3	0	0	0	118.8
19	P	42.7	Very low	35.2	Very low	114 Å²	114	140 Å²	140	74%	0.74	79%	0.79	S	S	*	*			cis	-135.2	-177.7	5.9	27.4	-1.9	0	0	0	117.1
20	T	35.6	Very low	35.1	Very low	121 Å²	121	144 Å²	144	74%	0.742	80%	0.802	S	S	*	*			trans	-46.3	157.2	168.3	47.7	0	0	0	0	118.7
21	E	32.6	Very low	35	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	80%	0.799	S	S	*	*				-165.1	146.1	126.1	-111.4	177.3	-175.6	0	0	114
22	M	34.6	Very low	34.7	Very low	173 Å²	173	139.8 Å²	139.8	85%	0.852	80%	0.801	S	S	*	*			trans	-95.3	152.1	174.7	-50.8	-179.2	-47.9	0	0	110.1
23	I	37.3	Very low	34.8	Very low	166 Å²	166	141.6 Å²	141.6	85%	0.851	81%	0.808	S	S	*	*			trans	-144.6	125.9	152.6	-60.7	-175.2	0	0	0	110.5
24	D	30.7	Very low	34.4	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	80%	0.802	S	S	*	*			trans	-73.5	152.6	166.9	-91.6	-42.9	0	0	0	112.8
25	A	31	Very low	34.5	Very low	105 Å²	105	142 Å²	142	87%	0.868	80%	0.804	S	S	*	*			trans	-163	132.6	140.2	0	0	0	0	0	111.3
26	A	34.5	Very low	34.3	Very low	97 Å²	97	143.2 Å²	143.2	80%	0.802	81%	0.808	S	S	*	*			trans	-100.5	-153.2	-174.3	0	0	0	0	0	111.6
27	P	47.6	Very low	34.6	Very low	119 Å²	119	147.3 Å²	147.3	77%	0.773	81%	0.813	S	S	*	*				-113	176.8	-122.6	31.8	-10.4	0	0	0	113.6
28	T	32.1	Very low	34.7	Very low	146 Å²	146	151 Å²	151	90%	0.896	83%	0.828	S	S	*	*			trans	-142.3	130.1	160.8	49.1	0	0	0	0	111.7
29	E	31.7	Very low	34.6	Very low	181 Å²	181	155.6 Å²	155.6	85%	0.846	83%	0.834	S	S	*	*			trans	-77.6	-178.4	176.4	-69.8	-177.9	123.4	0	0	114
30	E	31.3	Very low	34.3	Very low	183 Å²	183	153 Å²	153	86%	0.855	83%	0.829	S	S	*	*			trans	87.4	135.3	156.1	-69.4	-173.4	162.3	0	0	116.6
31	S	32.7	Very low	34.3	Very low	103 Å²	103	155.5 Å²	155.5	72%	0.72	84%	0.837	S	S	*	*			cis	-160.9	146.8	14.8	49.8	0	0	0	0	110.4
32	V	33	Very low	34.5	Very low	139 Å²	139	152.7 Å²	152.7	84%	0.842	83%	0.833	S	S	*	*			trans	-80.3	136.8	162.6	174.3	0	0	0	0	109
33	V	35	Very low	35.3	Very low	138 Å²	138	149.6 Å²	149.6	84%	0.836	83%	0.825	S	S	*	*			trans	-127.1	136.6	158.8	178.8	0	0	0	0	109.8
34	E	30.6	Very low	35.2	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	83%	0.827	S	S	*	*			trans	-99.4	135.1	-163.1	-168.2	176.9	178.2	0	0	112
35	V	37.3	Very low	35.9	Very low	116 Å²	116	148.9 Å²	148.9	70%	0.703	82%	0.822	S	S	*	*			trans	54.6	130.1	139.1	-178.6	0	0	0	0	120.9
36	K	31	Very low	36.3	Very low	209 Å²	209	151.1 Å²	151.1	91%	0.909	82%	0.819	S	S	*	*				-164.7	119.4	120.6	-104.9	163.3	-172.4	177.7	0	113
37	R	39	Very low	36.8	Very low	241 Å²	241	152.2 Å²	152.2	91%	0.909	82%	0.818	S	S	*	*			trans	-83.8	144.7	164.3	-83.7	-179	168.8	-179.3	-3.3	110.1
38	T	33.9	Very low	36.6	Very low	150 Å²	150	155 Å²	155	92%	0.92	82%	0.82	S	S	*	*			trans	-134.7	146.8	149.1	44.5	0	0	0	0	111
39	R	33.3	Very low	37.2	Very low	258 Å²	258	154.1 Å²	154.1	97%	0.974	82%	0.817	S	S	*	*			trans	-88.1	155.3	-172.6	-166	179.1	-172.9	177.3	1.1	108.4
40	G	34.9	Very low	37.8	Very low	60 Å²	60	153.8 Å²	153.8	62%	0.619	82%	0.816	S	S	*	*			cis	180	-171	6.7	0	0	0	0	0	108.3
41	D	35.3	Very low	38.6	Very low	173 Å²	173	151 Å²	151	93%	0.925	81%	0.813	S	S	*	*			trans	95.4	147	165.9	-52	-25.4	0	0	0	120
42	V	37.7	Very low	39.2	Very low	133 Å²	133	154.4 Å²	154.4	81%	0.806	82%	0.818	S	S	*	*			trans	-116.2	-179.9	-144.6	-170.8	0	0	0	0	110.6
43	P	52.1	Low	39.7	Very low	107 Å²	107	153.3 Å²	153.3	70%	0.695	81%	0.814	S	S	*	*				-111.7	166.1	-67.4	37.9	-22.8	0	0	0	112.7
44	D	35.2	Very low	40.5	Very low	166 Å²	166	153.1 Å²	153.1	89%	0.888	81%	0.813	S	S	*	*			trans	-150.1	155.3	151.2	-116.1	-24.1	0	0	0	111.6
45	I	44.6	Very low	41.5	Very low	139 Å²	139	148.7 Å²	148.7	71%	0.713	80%	0.8	S	S	*	*			trans	-96.5	140.5	-148.9	-74.6	172	0	0	0	113.9
46	L	40.2	Very low	42.2	Very low	152 Å²	152	151.5 Å²	151.5	80%	0.796	81%	0.805	S	S	*	*			trans	72.5	154.9	157.6	-69.9	163.5	0	0	0	119.9
47	P	45.3	Very low	43.3	Very low	120 Å²	120	144.6 Å²	144.6	78%	0.779	79%	0.787	S	S	*	*			cis	-126.5	-179.1	9.9	29.7	-6.3	0	0	0	115.7
48	E	43.3	Very low	44.3	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	76%	0.758	S	S	*	*			trans	-42.6	148.8	-179.1	-66.3	174.9	141.1	0	0	116	E50	E48-E50 PolarHBondContact O-N 3.07Å
49	P	43	Very low	45.6	Very low	128 Å²	128	133 Å²	133	83%	0.831	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74.9	122.3	169.8	31	-28.7	0	0	0	109.7
50	E	45.5	Very low	47.2	Very low	175 Å²	175	128.3 Å²	128.3	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-55.7	146.2	161.4	-69.3	-160.8	165.9	0	0	110.1	E48 E52	E48-E50 PolarHBondContact O-N 3.07Å; E50-E52 PolarHBondContact O-N 3.4Å
51	P	47.9	Very low	49.1	Very low	123 Å²	123	131.6 Å²	131.6	80%	0.799	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-63.5	125.5	177.7	26.9	-32.3	0	0	0	109.6
52	E	44.5	Very low	51	Low	175 Å²	175	128 Å²	128	82%	0.818	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-52.5	141.5	175.6	-74.2	-166.4	161.5	0	0	111.4	E50 T54	E50-E52 PolarHBondContact O-N 3.4Å; E52-T54 PolarHBondContact O-N 3Å
53	P	44.5	Very low	53.2	Low	117 Å²	117	125.1 Å²	125.1	76%	0.76	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.2	176	27.4	-31.4	0	0	0	108.8	S55	P53-S55 PolarHBondContact O-N 3.38Å
54	T	51.5	Low	54.8	Low	133 Å²	133	126.9 Å²	126.9	82%	0.816	69%	0.687	S	S	*	*			trans	-56.5	104.6	169.8	8.4	0	0	0	0	108	E52	E52-T54 PolarHBondContact O-N 3Å
55	S	51.6	Low	57.2	Low	71 Å²	71	123.2 Å²	123.2	50%	0.497	67%	0.668	S	S	.	*			trans	-70.1	132.3	-176	75	0	0	0	0	110.3	P53 A57 S58	P53-S55 PolarHBondContact O-N 3.38Å; S55-A57 PolarHBondContact O-N 2.91Å; S55-S58 WeakPolarHBondContact O-CB 3.42Å; S55-S58 PolarHBondContact O-N 3.02Å
56	Q	52.1	Low	59.3	Low	176 Å²	176	122.9 Å²	122.9	82%	0.822	66%	0.658	S	S	*	*	H	α-helix	trans	-59.2	-12.8	174.8	-69.9	-175.3	-8.1	0	0	113.6
57	A	53.9	Low	61.6	Low	63 Å²	63	119.2 Å²	119.2	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-68.6	-34.2	173	0	0	0	0	0	112.6	S55 F60 E61	S55-A57 PolarHBondContact O-N 2.91Å; A57-F60 PolarHBondContact O-N 3.32Å; A57-E61 PolarHBondContact O-N 3.08Å; A57-E61 VanDerWaalsContact O-N 3.07Å
58	S	59.9	Low	63.8	Low	43 Å²	43	117.1 Å²	117.1	30%	0.301	62%	0.624	S	S	.	*	H	α-helix	trans	-65	-39.5	177.7	134.7	0	0	0	0	112	S55 F60 N62	S55-S58 WeakPolarHBondContact O-CB 3.42Å; S55-S58 PolarHBondContact O-N 3.02Å; S58-F60 VanDerWaalsContact C-N 3.35Å; S58-N62 WeakPolarHBondContact O-CB 3.39Å; S58-N62 PolarHBondContact O-N 2.96Å; S58-N62 PolarHBondContact O-ND2 2.91Å; S58-N62 VanDerWaalsContact O-ND2 3.07Å
59	D	62	Low	66	Low	105 Å²	105	112.1 Å²	112.1	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-71.1	-32.8	-179.3	-66.8	-20.7	0	0	0	112	S63	D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 3.22Å; D59-S63 VanDerWaalsContact O-N 3.08Å
60	F	67	Low	68.4	Low	160 Å²	160	113.3 Å²	113.3	70%	0.702	60%	0.597	S	S	*	*	H	α-helix	trans	-72.7	-43	175.8	-159.6	-94.2	0	0	0	112.1	A57 S58 S63 Y64	A57-F60 PolarHBondContact O-N 3.32Å; S58-F60 VanDerWaalsContact C-N 3.35Å; F60-S63 PolarHBondContact O-N 3.47Å; F60-Y64 WeakPolarHBondContact O-CB 3.31Å; F60-Y64 PolarHBondContact O-N 3.04Å
61	E	73.5	Confident	70.7	Confident	128 Å²	128	110 Å²	110	60%	0.598	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-41.8	172.9	-87.6	-176.3	141.8	0	0	112.2	A57 S63 Y64 N65	A57-E61 PolarHBondContact O-N 3.08Å; A57-E61 VanDerWaalsContact O-N 3.07Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.9Å; E61-Y64 PolarHBondContact O-N 2.98Å; E61-N65 VanDerWaalsContact O-CB 3.31Å; E61-N65 WeakPolarHBondContact O-CB 3.33Å; E61-N65 VanDerWaalsContact O-CG 3.26Å; E61-N65 PolarHBondContact O-N 3.4Å; E61-N65 PolarHBondContact O-ND2 3.01Å
62	N	76.3	Confident	72.8	Confident	98 Å²	98	107.1 Å²	107.1	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-40.3	176.2	-74.8	-29.1	0	0	0	112	S58 Y66	S58-N62 WeakPolarHBondContact O-CB 3.39Å; S58-N62 PolarHBondContact O-N 2.96Å; S58-N62 PolarHBondContact O-ND2 2.91Å; S58-N62 VanDerWaalsContact O-ND2 3.07Å; N62-Y66 VanDerWaalsContact O-CB 3.29Å; N62-Y66 WeakPolarHBondContact O-CB 3.46Å; N62-Y66 PolarHBondContact O-N 3.37Å
63	S	82.6	Confident	75.2	Confident	72 Å²	72	100.8 Å²	100.8	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-42	176.4	-164.6	0	0	0	0	112.2	D59 F60 E61 Y66 V67	D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 3.22Å; D59-S63 VanDerWaalsContact O-N 3.08Å; F60-S63 PolarHBondContact O-N 3.47Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.9Å; S63-Y66 WeakPolarHBondContact O-CB 3.44Å; S63-Y66 PolarHBondContact O-N 3.24Å; S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.44Å
64	Y	86.9	Confident	77.6	Confident	144 Å²	144	99.1 Å²	99.1	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-63.7	-46.6	175.8	-177.6	-101.9	0	0	0	112.4	F60 E61 Y66 V67 L68	F60-Y64 WeakPolarHBondContact O-CB 3.31Å; F60-Y64 PolarHBondContact O-N 3.04Å; E61-Y64 PolarHBondContact O-N 2.98Å; Y64-Y66 VanDerWaalsContact C-N 3.32Å; Y64-Y66 PolarHBondContact O-N 3.07Å; Y64-V67 PolarHBondContact O-N 3.26Å; Y64-L68 HydrophobicContact CD1-CD1 3.75Å; Y64-L68 HydrophobicContact CE1-CD1 3.25Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 PolarHBondContact O-N 2.9Å
65	N	85.8	Confident	79.6	Confident	89 Å²	89	98 Å²	98	48%	0.476	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-36.6	176.2	-73.3	-37.1	0	0	0	112.1	E61 S69	E61-N65 VanDerWaalsContact O-CB 3.31Å; E61-N65 WeakPolarHBondContact O-CB 3.33Å; E61-N65 VanDerWaalsContact O-CG 3.26Å; E61-N65 PolarHBondContact O-N 3.4Å; E61-N65 PolarHBondContact O-ND2 3.01Å; N65-S69 WeakPolarHBondContact O-CB 3.34Å; N65-S69 PolarHBondContact O-N 3.45Å
66	Y	87.4	Confident	81.7	Confident	132 Å²	132	99.7 Å²	99.7	52%	0.518	53%	0.529	S	S	.	.	H	α-helix	trans	-60.7	-49.3	172.3	178.4	-92.6	0	0	0	111.6	N62 S63 Y64 L68 S69 R70	N62-Y66 VanDerWaalsContact O-CB 3.29Å; N62-Y66 WeakPolarHBondContact O-CB 3.46Å; N62-Y66 PolarHBondContact O-N 3.37Å; S63-Y66 WeakPolarHBondContact O-CB 3.44Å; S63-Y66 PolarHBondContact O-N 3.24Å; Y64-Y66 VanDerWaalsContact C-N 3.32Å; Y64-Y66 PolarHBondContact O-N 3.07Å; Y66-L68 PolarHBondContact O-N 3.1Å; Y66-S69 PolarHBondContact O-N 2.85Å; Y66-S69 PolarHBondContact O-OG 2.9Å; Y66-R70 HydrophobicContact CD1-CG 4.34Å; Y66-R70 HydrophobicContact CE1-CG 3.97Å; Y66-R70 WeakPolarHBondContact O-CG 3.35Å; Y66-R70 PolarHBondContact O-N 2.9Å; Y66-R70 VanDerWaalsContact O-N 3.09Å; Y66-R70 PolarHBondContact OH-NE 3.47Å; Y66-R70 PolarHBondContact OH-NH2 3.47Å
67	V	90.2	Very high	83.7	Confident	75 Å²	75	94 Å²	94	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-43.3	179	172.9	0	0	0	0	111.4	S63 Y64 S69 R70 L71	S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.44Å; Y64-V67 PolarHBondContact O-N 3.26Å; V67-S69 PolarHBondContact O-N 3.18Å; V67-R70 PolarHBondContact O-N 3.42Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.19Å
68	L	89.5	Confident	85.8	Confident	76 Å²	76	95.3 Å²	95.3	40%	0.398	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-42.7	175	-80.9	173.1	0	0	0	112.8	Y64 Y66 R70 L71 A72	Y64-L68 HydrophobicContact CD1-CD1 3.75Å; Y64-L68 HydrophobicContact CE1-CD1 3.25Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 PolarHBondContact O-N 2.9Å; Y66-L68 PolarHBondContact O-N 3.1Å; L68-R70 VanDerWaalsContact C-N 3.27Å; L68-R70 PolarHBondContact O-N 3.27Å; L68-L71 PolarHBondContact O-N 3.37Å; L68-A72 WeakPolarHBondContact O-CB 3.49Å; L68-A72 PolarHBondContact O-N 3.09Å
69	S	89.8	Confident	87.5	Confident	72 Å²	72	99 Å²	99	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-36.4	176.9	77.8	0	0	0	0	112.2	N65 Y66 V67 G73	N65-S69 WeakPolarHBondContact O-CB 3.34Å; N65-S69 PolarHBondContact O-N 3.45Å; Y66-S69 PolarHBondContact O-N 2.85Å; Y66-S69 PolarHBondContact O-OG 2.9Å; V67-S69 PolarHBondContact O-N 3.18Å; S69-G73 PolarHBondContact O-N 2.71Å
70	R	94.1	Very high	89.1	Confident	153 Å²	153	101.7 Å²	101.7	58%	0.577	52%	0.523	S	S	*	.	H	α-helix	trans	-69.5	-43.6	175.3	-69.5	-63.2	-166.3	-178.7	2.3	111.7	Y66 V67 L68 G73 V74	Y66-R70 HydrophobicContact CD1-CG 4.34Å; Y66-R70 HydrophobicContact CE1-CG 3.97Å; Y66-R70 WeakPolarHBondContact O-CG 3.35Å; Y66-R70 PolarHBondContact O-N 2.9Å; Y66-R70 VanDerWaalsContact O-N 3.09Å; Y66-R70 PolarHBondContact OH-NE 3.47Å; Y66-R70 PolarHBondContact OH-NH2 3.47Å; V67-R70 PolarHBondContact O-N 3.42Å; L68-R70 VanDerWaalsContact C-N 3.27Å; L68-R70 PolarHBondContact O-N 3.27Å; R70-G73 PolarHBondContact O-N 2.93Å; R70-V74 WeakPolarHBondContact O-CG2 3.37Å; R70-V74 PolarHBondContact O-N 3.48Å
71	L	94	Very high	90.5	Very high	106 Å²	106	100.4 Å²	100.4	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-61.3	-44.5	176	-74.8	168.8	0	0	0	111.6	V67 L68 G73 V74 D75	V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.19Å; L68-L71 PolarHBondContact O-N 3.37Å; L71-G73 VanDerWaalsContact C-N 3.3Å; L71-G73 PolarHBondContact O-N 3.23Å; L71-V74 PolarHBondContact O-N 3.26Å; L71-D75 PolarHBondContact O-N 3.03Å
72	A	91.5	Very high	91.6	Very high	62 Å²	62	98.4 Å²	98.4	51%	0.512	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-39.1	173.9	0	0	0	0	0	112.1	L68 D75 Q76	L68-A72 WeakPolarHBondContact O-CB 3.49Å; L68-A72 PolarHBondContact O-N 3.09Å; A72-D75 PolarHBondContact O-N 3.34Å; A72-Q76 WeakPolarHBondContact O-CB 3.48Å; A72-Q76 PolarHBondContact O-N 3.02Å
73	G	94.4	Very high	92.5	Very high	41 Å²	41	97.2 Å²	97.2	42%	0.423	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-38.7	173.7	0	0	0	0	0	113.5	S69 R70 L71 A77	S69-G73 PolarHBondContact O-N 2.71Å; R70-G73 PolarHBondContact O-N 2.93Å; L71-G73 VanDerWaalsContact C-N 3.3Å; L71-G73 PolarHBondContact O-N 3.23Å; G73-A77 WeakPolarHBondContact O-CB 3.48Å; G73-A77 PolarHBondContact O-N 3.27Å; G73-A77 VanDerWaalsContact O-N 3.08Å
74	V	94.7	Very high	93.2	Very high	82 Å²	82	95.7 Å²	95.7	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-44.3	175.3	171.2	0	0	0	0	111	R70 L71 Q76 A77 I78	R70-V74 WeakPolarHBondContact O-CG2 3.37Å; R70-V74 PolarHBondContact O-N 3.48Å; L71-V74 PolarHBondContact O-N 3.26Å; V74-Q76 VanDerWaalsContact C-N 3.35Å; V74-Q76 PolarHBondContact O-N 2.97Å; V74-A77 WeakPolarHBondContact O-CA 3.44Å; V74-A77 WeakPolarHBondContact O-CB 3.29Å; V74-A77 PolarHBondContact O-N 2.96Å; V74-A77 VanDerWaalsContact O-N 3.1Å; V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 HydrophobicContact CG1-CG1 4.33Å; V74-I78 WeakPolarHBondContact O-CG1 3.46Å; V74-I78 PolarHBondContact O-N 2.88Å
75	D	93.9	Very high	93.7	Very high	109 Å²	109	94.2 Å²	94.2	58%	0.583	51%	0.506	S	S	*	.	H	α-helix	trans	-60.4	-44.5	177.6	-172.7	69.9	0	0	0	111.7	L71 A72 A77 I78 H79	L71-D75 PolarHBondContact O-N 3.03Å; A72-D75 PolarHBondContact O-N 3.34Å; D75-A77 VanDerWaalsContact C-N 3.28Å; D75-A77 PolarHBondContact O-N 3.21Å; D75-I78 PolarHBondContact O-N 3.02Å; D75-H79 PolarHBondContact O-N 3.1Å
76	Q	95.3	Very high	94.3	Very high	108 Å²	108	97.5 Å²	97.5	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-36.5	174.6	-162.2	-179	26.7	0	0	112.1	A72 V74 R80	A72-Q76 WeakPolarHBondContact O-CB 3.48Å; A72-Q76 PolarHBondContact O-N 3.02Å; V74-Q76 VanDerWaalsContact C-N 3.35Å; V74-Q76 PolarHBondContact O-N 2.97Å; Q76-R80 VanDerWaalsContact CD-NH2 3.29Å; Q76-R80 VanDerWaalsContact NE2-NH2 3.12Å; Q76-R80 WeakPolarHBondContact O-CB 3.44Å; Q76-R80 VanDerWaalsContact O-CG 3.24Å; Q76-R80 WeakPolarHBondContact O-CG 3.08Å; Q76-R80 PolarHBondContact O-N 3.39Å
77	A	95.5	Very high	94.8	Very high	55 Å²	55	94.3 Å²	94.3	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-67.1	-44	174.9	0	0	0	0	0	111.9	G73 V74 D75 R80 L81	G73-A77 WeakPolarHBondContact O-CB 3.48Å; G73-A77 PolarHBondContact O-N 3.27Å; G73-A77 VanDerWaalsContact O-N 3.08Å; V74-A77 WeakPolarHBondContact O-CA 3.44Å; V74-A77 WeakPolarHBondContact O-CB 3.29Å; V74-A77 PolarHBondContact O-N 2.96Å; V74-A77 VanDerWaalsContact O-N 3.1Å; D75-A77 VanDerWaalsContact C-N 3.28Å; D75-A77 PolarHBondContact O-N 3.21Å; A77-R80 PolarHBondContact O-N 2.82Å; A77-L81 WeakPolarHBondContact O-CB 3.5Å; A77-L81 PolarHBondContact O-N 3.31Å
78	I	96.6	Very high	95.1	Very high	92 Å²	92	95.8 Å²	95.8	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-59.6	-47.5	175.6	-69	167	0	0	0	110.2	V74 D75 R80 L81 N82	V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 HydrophobicContact CG1-CG1 4.33Å; V74-I78 WeakPolarHBondContact O-CG1 3.46Å; V74-I78 PolarHBondContact O-N 2.88Å; D75-I78 PolarHBondContact O-N 3.02Å; I78-R80 PolarHBondContact O-N 2.93Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 2.87Å; I78-L81 VanDerWaalsContact O-N 3.16Å; I78-N82 PolarHBondContact O-N 2.99Å
79	H	95.6	Very high	95.5	Very high	121 Å²	121	95.4 Å²	95.4	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-60.1	-45.6	178.1	-174.6	-67	0	0	0	111.7	D75 L81 N82 V83	D75-H79 PolarHBondContact O-N 3.1Å; H79-L81 VanDerWaalsContact C-N 3.29Å; H79-L81 PolarHBondContact O-N 3.12Å; H79-N82 PolarHBondContact O-N 3.34Å; H79-V83 VanDerWaalsContact CE1-CG2 3.46Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.49Å; H79-V83 WeakPolarHBondContact O-CG2 3.4Å; H79-V83 PolarHBondContact O-N 2.89Å
80	R	96.1	Very high	95.9	Very high	161 Å²	161	95.8 Å²	95.8	61%	0.608	51%	0.51	S	S	*	.	H	α-helix	trans	-59.7	-40.9	175.8	-73.9	173.4	-170.7	-177.1	7.4	111.6	Q76 A77 I78 G84	Q76-R80 VanDerWaalsContact CD-NH2 3.29Å; Q76-R80 VanDerWaalsContact NE2-NH2 3.12Å; Q76-R80 WeakPolarHBondContact O-CB 3.44Å; Q76-R80 VanDerWaalsContact O-CG 3.24Å; Q76-R80 WeakPolarHBondContact O-CG 3.08Å; Q76-R80 PolarHBondContact O-N 3.39Å; A77-R80 PolarHBondContact O-N 2.82Å; I78-R80 PolarHBondContact O-N 2.93Å; R80-G84 PolarHBondContact O-N 3.04Å
81	L	97.3	Very high	96	Very high	133 Å²	133	94.2 Å²	94.2	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-46.6	177.7	-155.6	94.7	0	0	0	111.4	A77 I78 H79 G84 H85	A77-L81 WeakPolarHBondContact O-CB 3.5Å; A77-L81 PolarHBondContact O-N 3.31Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 2.87Å; I78-L81 VanDerWaalsContact O-N 3.16Å; H79-L81 VanDerWaalsContact C-N 3.29Å; H79-L81 PolarHBondContact O-N 3.12Å; L81-G84 CarbonylContact O-C 3.6Å; L81-G84 WeakPolarHBondContact O-CA 3.48Å; L81-G84 PolarHBondContact O-N 2.84Å; L81-H85 PolarHBondContact O-N 3.2Å
82	N	95.4	Very high	96.2	Very high	86 Å²	86	92.4 Å²	92.4	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-59.3	-49.6	177.1	-95.3	2.3	0	0	0	111.6	I78 H79 G84 H85 Y86	I78-N82 PolarHBondContact O-N 2.99Å; H79-N82 PolarHBondContact O-N 3.34Å; N82-G84 VanDerWaalsContact C-N 3.26Å; N82-G84 PolarHBondContact O-N 3.33Å; N82-H85 WeakPolarHBondContact O-CB 3.38Å; N82-H85 PolarHBondContact O-N 3.41Å; N82-H85 VanDerWaalsContact O-N 3.12Å; N82-Y86 HydrophobicContact CB-CE2 4.45Å; N82-Y86 WeakPolarHBondContact O-CD2 3.4Å; N82-Y86 PolarHBondContact O-N 3.04Å
83	V	96.6	Very high	96.5	Very high	72 Å²	72	93 Å²	93	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-40.9	176.8	173.4	0	0	0	0	111.1	H79 T87	H79-V83 VanDerWaalsContact CE1-CG2 3.46Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.49Å; H79-V83 WeakPolarHBondContact O-CG2 3.4Å; H79-V83 PolarHBondContact O-N 2.89Å; V83-T87 WeakPolarHBondContact O-CB 3.49Å; V83-T87 PolarHBondContact O-N 2.85Å; V83-T87 PolarHBondContact O-OG1 3.05Å
84	G	97.4	Very high	96.7	Very high	41 Å²	41	96 Å²	96	42%	0.423	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-46.2	173.8	0	0	0	0	0	112.6	R80 L81 N82 T87 L88	R80-G84 PolarHBondContact O-N 3.04Å; L81-G84 CarbonylContact O-C 3.6Å; L81-G84 WeakPolarHBondContact O-CA 3.48Å; L81-G84 PolarHBondContact O-N 2.84Å; N82-G84 VanDerWaalsContact C-N 3.26Å; N82-G84 PolarHBondContact O-N 3.33Å; G84-T87 PolarHBondContact O-N 3.37Å; G84-L88 WeakPolarHBondContact O-CB 3.38Å; G84-L88 PolarHBondContact O-N 3.35Å
85	H	97.3	Very high	96.8	Very high	112 Å²	112	96.9 Å²	96.9	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-51.7	177.6	-169.3	-64.2	0	0	0	111.6	L81 N82 T87 L88 D89	L81-H85 PolarHBondContact O-N 3.2Å; N82-H85 WeakPolarHBondContact O-CB 3.38Å; N82-H85 PolarHBondContact O-N 3.41Å; N82-H85 VanDerWaalsContact O-N 3.12Å; H85-T87 VanDerWaalsContact C-N 3.28Å; H85-T87 PolarHBondContact O-N 3.16Å; H85-L88 WeakPolarHBondContact O-CA 3.45Å; H85-L88 WeakPolarHBondContact O-CB 3.24Å; H85-L88 PolarHBondContact O-N 2.93Å; H85-D89 IonicContact CE1-OD1 3.39Å; H85-D89 PolarHBondContact CE1-OD1 3.44Å; H85-D89 IonicContact CE1-OD2 3.1Å; H85-D89 PolarHBondContact CE1-OD2 3.31Å; H85-D89 IonicContact ND1-OD1 3.97Å; H85-D89 IonicContact ND1-OD2 3.25Å; H85-D89 PolarHBondContact ND1-OD2 3.44Å; H85-D89 PolarHBondContact O-N 2.97Å
86	Y	97.3	Very high	97	Very high	158 Å²	158	96.7 Å²	96.7	62%	0.62	50%	0.503	S	S	*	.	H	α-helix	trans	-57.8	-42.1	176.9	-76.9	-67.9	0	0	0	112.1	N82 L88 D89 V90	N82-Y86 HydrophobicContact CB-CE2 4.45Å; N82-Y86 WeakPolarHBondContact O-CD2 3.4Å; N82-Y86 PolarHBondContact O-N 3.04Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; Y86-L88 PolarHBondContact O-N 3.08Å; Y86-D89 PolarHBondContact O-N 2.98Å; Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.76Å
87	T	97.3	Very high	97.1	Very high	65 Å²	65	95.1 Å²	95.1	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-39.3	176.9	-57.4	0	0	0	0	111.3	V83 G84 H85 K91	V83-T87 WeakPolarHBondContact O-CB 3.49Å; V83-T87 PolarHBondContact O-N 2.85Å; V83-T87 PolarHBondContact O-OG1 3.05Å; G84-T87 PolarHBondContact O-N 3.37Å; H85-T87 VanDerWaalsContact C-N 3.28Å; H85-T87 PolarHBondContact O-N 3.16Å; T87-K91 WeakPolarHBondContact O-CG 3.48Å; T87-K91 PolarHBondContact O-N 3.49Å; T87-K91 VanDerWaalsContact O-N 3.11Å
88	L	97.8	Very high	97.3	Very high	106 Å²	106	100.7 Å²	100.7	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-66.6	-44.1	176.7	-168.1	66.4	0	0	0	111	G84 H85 Y86 V90 K91 V92	G84-L88 WeakPolarHBondContact O-CB 3.38Å; G84-L88 PolarHBondContact O-N 3.35Å; H85-L88 WeakPolarHBondContact O-CA 3.45Å; H85-L88 WeakPolarHBondContact O-CB 3.24Å; H85-L88 PolarHBondContact O-N 2.93Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; Y86-L88 PolarHBondContact O-N 3.08Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.32Å; L88-K91 CarbonylContact O-C 3.54Å; L88-K91 WeakPolarHBondContact O-CB 3.46Å; L88-K91 PolarHBondContact O-N 2.94Å; L88-K91 VanDerWaalsContact O-N 3.1Å; L88-V92 HydrophobicContact CG-CG2 4.43Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.09Å
89	D	97.4	Very high	97.3	Very high	68 Å²	68	101.8 Å²	101.8	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-58.7	-42.4	177.5	-70.7	-24.1	0	0	0	112.2	H85 Y86 V92 S93	H85-D89 IonicContact CE1-OD1 3.39Å; H85-D89 PolarHBondContact CE1-OD1 3.44Å; H85-D89 IonicContact CE1-OD2 3.1Å; H85-D89 PolarHBondContact CE1-OD2 3.31Å; H85-D89 IonicContact ND1-OD1 3.97Å; H85-D89 IonicContact ND1-OD2 3.25Å; H85-D89 PolarHBondContact ND1-OD2 3.44Å; H85-D89 PolarHBondContact O-N 2.97Å; Y86-D89 PolarHBondContact O-N 2.98Å; D89-V92 PolarHBondContact O-N 3.41Å; D89-S93 WeakPolarHBondContact O-CB 3.49Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.92Å
90	V	97.6	Very high	97.4	Very high	81 Å²	81	99 Å²	99	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-44.9	175.2	172.2	0	0	0	0	110.6	Y86 L88 S93 Q94	Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.76Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.32Å; V90-S93 PolarHBondContact O-N 3.35Å; V90-Q94 WeakPolarHBondContact O-CB 3.37Å; V90-Q94 VanDerWaalsContact O-CG 3.3Å; V90-Q94 WeakPolarHBondContact O-CG 3.33Å; V90-Q94 PolarHBondContact O-N 3.15Å
91	K	97.7	Very high	97.5	Very high	119 Å²	119	97 Å²	97	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-41.1	177.5	-74.3	177.8	179.3	-179.8	0	112	T87 L88 Q94 L95	T87-K91 WeakPolarHBondContact O-CG 3.48Å; T87-K91 PolarHBondContact O-N 3.49Å; T87-K91 VanDerWaalsContact O-N 3.11Å; L88-K91 CarbonylContact O-C 3.54Å; L88-K91 WeakPolarHBondContact O-CB 3.46Å; L88-K91 PolarHBondContact O-N 2.94Å; L88-K91 VanDerWaalsContact O-N 3.1Å; K91-Q94 PolarHBondContact O-N 3.39Å; K91-L95 WeakPolarHBondContact O-CB 3.3Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 3.49Å
92	V	98.3	Very high	97.6	Very high	69 Å²	69	95.6 Å²	95.6	42%	0.418	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175.7	169.4	0	0	0	0	110.1	L88 D89 Q94 L95 I96	L88-V92 HydrophobicContact CG-CG2 4.43Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.09Å; D89-V92 PolarHBondContact O-N 3.41Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 2.8Å; V92-L95 PolarHBondContact O-N 3.36Å; V92-L95 VanDerWaalsContact O-N 3.15Å; V92-I96 HydrophobicContact CG1-CD1 3.86Å; V92-I96 WeakPolarHBondContact O-CG1 3.37Å; V92-I96 PolarHBondContact O-N 2.93Å
93	S	97.4	Very high	97.7	Very high	75 Å²	75	97.3 Å²	97.3	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-60.6	-42.3	177	-58.2	0	0	0	0	112.2	D89 V90 I96 D97	D89-S93 WeakPolarHBondContact O-CB 3.49Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.92Å; V90-S93 PolarHBondContact O-N 3.35Å; S93-I96 PolarHBondContact O-N 2.89Å; S93-D97 PolarHBondContact O-N 3.11Å; S93-D97 VanDerWaalsContact O-N 3.09Å
94	Q	97.6	Very high	97.7	Very high	103 Å²	103	96.5 Å²	96.5	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-37.6	175	-73.7	176.1	-1.1	0	0	112.7	V90 K91 V92 R98	V90-Q94 WeakPolarHBondContact O-CB 3.37Å; V90-Q94 VanDerWaalsContact O-CG 3.3Å; V90-Q94 WeakPolarHBondContact O-CG 3.33Å; V90-Q94 PolarHBondContact O-N 3.15Å; K91-Q94 PolarHBondContact O-N 3.39Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 2.8Å; Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 2.69Å
95	L	98.2	Very high	97.8	Very high	101 Å²	101	101.3 Å²	101.3	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-41.5	175.7	-75.7	168	0	0	0	111.2	K91 V92 D97 R98 L99	K91-L95 WeakPolarHBondContact O-CB 3.3Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 3.49Å; V92-L95 PolarHBondContact O-N 3.36Å; V92-L95 VanDerWaalsContact O-N 3.15Å; L95-D97 PolarHBondContact O-N 2.92Å; L95-R98 PolarHBondContact O-N 2.9Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.36Å
96	I	97.6	Very high	97.8	Very high	105 Å²	105	99.2 Å²	99.2	54%	0.538	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-44.3	176.2	-68.3	165.8	0	0	0	110.9	V92 S93 R98 L99 S100	V92-I96 HydrophobicContact CG1-CD1 3.86Å; V92-I96 WeakPolarHBondContact O-CG1 3.37Å; V92-I96 PolarHBondContact O-N 2.93Å; S93-I96 PolarHBondContact O-N 2.89Å; I96-R98 PolarHBondContact O-N 3.1Å; I96-L99 PolarHBondContact O-N 3.02Å; I96-S100 PolarHBondContact O-N 3.15Å; I96-S100 PolarHBondContact O-OG 3.24Å
97	D	98.1	Very high	97.9	Very high	75 Å²	75	93 Å²	93	40%	0.401	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-38	176	174.5	71.2	0	0	0	112.8	S93 L95 S100 K101	S93-D97 PolarHBondContact O-N 3.11Å; S93-D97 VanDerWaalsContact O-N 3.09Å; L95-D97 PolarHBondContact O-N 2.92Å; D97-S100 PolarHBondContact O-OG 2.88Å; D97-K101 WeakPolarHBondContact O-CB 3.46Å; D97-K101 WeakPolarHBondContact O-CG 3.34Å; D97-K101 PolarHBondContact O-N 3.48Å; D97-K101 VanDerWaalsContact O-N 3.11Å; D97-K101 WeakPolarHBondContact OD1-CE 3.49Å; D97-K101 IonicContact OD1-NZ 3.6Å; D97-K101 PolarHBondContact OD1-NZ 3.01Å; D97-K101 WeakPolarHBondContact OD2-CE 3.45Å; D97-K101 IonicContact OD2-NZ 2.82Å; D97-K101 PolarHBondContact OD2-NZ 3.27Å
98	R	97.8	Very high	97.9	Very high	172 Å²	172	94.4 Å²	94.4	65%	0.649	50%	0.5	S	S	*	.	H	α-helix	trans	-67.1	-38.5	174.1	-72.3	176.3	-176.9	-165.4	1.9	111.9	Q94 L95 I96 L102	Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 2.69Å; L95-R98 PolarHBondContact O-N 2.9Å; I96-R98 PolarHBondContact O-N 3.1Å; R98-L102 WeakPolarHBondContact O-CB 3.4Å; R98-L102 PolarHBondContact O-N 3.11Å
99	L	98.2	Very high	97.9	Very high	114 Å²	114	94.3 Å²	94.3	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-66.7	-43.4	177.1	-75.6	170.6	0	0	0	111.5	L95 I96 K101 L102 D103	L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.36Å; I96-L99 PolarHBondContact O-N 3.02Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.42Å; L99-L102 PolarHBondContact O-N 3.5Å; L99-L102 VanDerWaalsContact O-N 3.15Å; L99-D103 WeakPolarHBondContact O-CB 3.34Å; L99-D103 PolarHBondContact O-N 2.87Å
100	S	97.9	Very high	97.9	Very high	63 Å²	63	97 Å²	97	44%	0.441	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-38.6	176.9	66.1	0	0	0	0	112.4	I96 D97 L102 D103 A104	I96-S100 PolarHBondContact O-N 3.15Å; I96-S100 PolarHBondContact O-OG 3.24Å; D97-S100 PolarHBondContact O-OG 2.88Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-L102 PolarHBondContact O-N 3.45Å; S100-D103 PolarHBondContact O-N 2.9Å; S100-A104 PolarHBondContact O-N 3.17Å
101	K	98.1	Very high	97.9	Very high	119 Å²	119	98.7 Å²	98.7	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-34.8	173.1	-74.7	170	-179	162.9	0	112.8	D97 L99 K105	D97-K101 WeakPolarHBondContact O-CB 3.46Å; D97-K101 WeakPolarHBondContact O-CG 3.34Å; D97-K101 PolarHBondContact O-N 3.48Å; D97-K101 VanDerWaalsContact O-N 3.11Å; D97-K101 WeakPolarHBondContact OD1-CE 3.49Å; D97-K101 IonicContact OD1-NZ 3.6Å; D97-K101 PolarHBondContact OD1-NZ 3.01Å; D97-K101 WeakPolarHBondContact OD2-CE 3.45Å; D97-K101 IonicContact OD2-NZ 2.82Å; D97-K101 PolarHBondContact OD2-NZ 3.27Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.42Å; K101-K105 WeakPolarHBondContact O-CG 3.32Å; K101-K105 PolarHBondContact O-N 3.25Å
102	L	98.1	Very high	97.9	Very high	104 Å²	104	97.1 Å²	97.1	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-70.9	-42.7	176.2	-173.6	64.4	0	0	0	110.8	R98 L99 S100 K105 V106	R98-L102 WeakPolarHBondContact O-CB 3.4Å; R98-L102 PolarHBondContact O-N 3.11Å; L99-L102 PolarHBondContact O-N 3.5Å; L99-L102 VanDerWaalsContact O-N 3.15Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-L102 PolarHBondContact O-N 3.45Å; L102-K105 WeakPolarHBondContact O-CB 3.49Å; L102-K105 PolarHBondContact O-N 3.27Å; L102-V106 WeakPolarHBondContact O-CG2 3.4Å; L102-V106 PolarHBondContact O-N 2.97Å
103	D	98	Very high	97.9	Very high	122 Å²	122	98.7 Å²	98.7	65%	0.652	52%	0.518	S	S	*	.	H	α-helix	trans	-58.5	-47.8	176.7	-170.1	63.3	0	0	0	111.7	L99 S100 K105 V106 G107	L99-D103 WeakPolarHBondContact O-CB 3.34Å; L99-D103 PolarHBondContact O-N 2.87Å; S100-D103 PolarHBondContact O-N 2.9Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact O-N 3.06Å; D103-V106 WeakPolarHBondContact O-CB 3.39Å; D103-V106 PolarHBondContact O-N 3.04Å; D103-V106 VanDerWaalsContact O-N 3.09Å; D103-G107 PolarHBondContact O-N 3.02Å
104	A	97.8	Very high	97.9	Very high	55 Å²	55	100.7 Å²	100.7	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-57.8	-43.4	174.4	0	0	0	0	0	112.4	S100 V106 G107 D108	S100-A104 PolarHBondContact O-N 3.17Å; A104-V106 VanDerWaalsContact C-N 3.33Å; A104-V106 PolarHBondContact O-N 3.31Å; A104-G107 PolarHBondContact O-N 2.75Å; A104-D108 PolarHBondContact O-N 3.19Å
105	K	97.9	Very high	97.9	Very high	142 Å²	142	100.8 Å²	100.8	62%	0.617	52%	0.519	S	S	*	.	H	α-helix	trans	-66.8	-32	176.7	-75.3	-179.7	177.7	-170.7	0	113.4	K101 L102 D103 L109	K101-K105 WeakPolarHBondContact O-CG 3.32Å; K101-K105 PolarHBondContact O-N 3.25Å; L102-K105 WeakPolarHBondContact O-CB 3.49Å; L102-K105 PolarHBondContact O-N 3.27Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact O-N 3.06Å; K105-L109 WeakPolarHBondContact O-CB 3.44Å; K105-L109 PolarHBondContact O-N 2.91Å
106	V	98.3	Very high	97.8	Very high	67 Å²	67	100.9 Å²	100.9	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-45	174.8	169.2	0	0	0	0	109.4	L102 D103 A104 D108 L109 E110	L102-V106 WeakPolarHBondContact O-CG2 3.4Å; L102-V106 PolarHBondContact O-N 2.97Å; D103-V106 WeakPolarHBondContact O-CB 3.39Å; D103-V106 PolarHBondContact O-N 3.04Å; D103-V106 VanDerWaalsContact O-N 3.09Å; A104-V106 VanDerWaalsContact C-N 3.33Å; A104-V106 PolarHBondContact O-N 3.31Å; V106-D108 PolarHBondContact O-N 3.09Å; V106-L109 WeakPolarHBondContact O-CB 3.49Å; V106-L109 PolarHBondContact O-N 3.35Å; V106-L109 VanDerWaalsContact O-N 3.13Å; V106-E110 HydrophobicContact CG1-CG 4.47Å; V106-E110 WeakPolarHBondContact O-CG 3.3Å; V106-E110 PolarHBondContact O-N 3.03Å
107	G	98.1	Very high	97.7	Very high	27 Å²	27	102.3 Å²	102.3	28%	0.278	52%	0.523	S	S	.	.	H	α-helix	trans	-56.1	-49.7	173.1	0	0	0	0	0	112.4	D103 A104 L109 E110 D111	D103-G107 PolarHBondContact O-N 3.02Å; A104-G107 PolarHBondContact O-N 2.75Å; G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 2.98Å; G107-E110 PolarHBondContact O-N 3.45Å; G107-E110 VanDerWaalsContact O-N 3.17Å; G107-D111 PolarHBondContact O-N 2.9Å
108	D	97.8	Very high	97.6	Very high	96 Å²	96	102.3 Å²	102.3	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-39.7	176.3	-67.7	-21.1	0	0	0	111.9	A104 V106 N112	A104-D108 PolarHBondContact O-N 3.19Å; V106-D108 PolarHBondContact O-N 3.09Å; D108-N112 WeakPolarHBondContact O-CB 3.5Å; D108-N112 VanDerWaalsContact O-CG 3.26Å; D108-N112 PolarHBondContact O-N 3.28Å; D108-N112 PolarHBondContact O-ND2 3.05Å
109	L	98	Very high	97.5	Very high	103 Å²	103	99 Å²	99	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-40.5	179	-179.2	61.2	0	0	0	111.9	K105 V106 G107 D111 N112 I113	K105-L109 WeakPolarHBondContact O-CB 3.44Å; K105-L109 PolarHBondContact O-N 2.91Å; V106-L109 WeakPolarHBondContact O-CB 3.49Å; V106-L109 PolarHBondContact O-N 3.35Å; V106-L109 VanDerWaalsContact O-N 3.13Å; G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 2.98Å; L109-D111 VanDerWaalsContact C-N 3.35Å; L109-N112 PolarHBondContact O-N 2.94Å; L109-I113 HydrophobicContact CD1-CD1 4.3Å; L109-I113 HydrophobicContact CD1-CG1 4.41Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 VanDerWaalsContact O-CG1 3.25Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 2.94Å
110	E	97.8	Very high	97.3	Very high	126 Å²	126	96.8 Å²	96.8	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-44.9	175.8	-72.3	178.8	160	0	0	111.3	V106 G107 I113 Q114	V106-E110 HydrophobicContact CG1-CG 4.47Å; V106-E110 WeakPolarHBondContact O-CG 3.3Å; V106-E110 PolarHBondContact O-N 3.03Å; G107-E110 PolarHBondContact O-N 3.45Å; G107-E110 VanDerWaalsContact O-N 3.17Å; E110-I113 PolarHBondContact O-N 3.13Å; E110-Q114 PolarHBondContact O-N 3.47Å
111	D	97.8	Very high	97.1	Very high	116 Å²	116	97.5 Å²	97.5	62%	0.62	50%	0.502	S	S	*	.	H	α-helix	trans	-62.5	-45.9	176.6	-74.6	-19.2	0	0	0	111.7	G107 L109 I113 Q114 E115	G107-D111 PolarHBondContact O-N 2.9Å; L109-D111 VanDerWaalsContact C-N 3.35Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 3.42Å; D111-Q114 PolarHBondContact O-N 3.38Å; D111-E115 PolarHBondContact O-N 2.94Å
112	N	97.7	Very high	96.8	Very high	85 Å²	85	94.7 Å²	94.7	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-39.4	176.2	-76.4	-54	0	0	0	112.3	D108 L109 Q114 E115 V116	D108-N112 WeakPolarHBondContact O-CB 3.5Å; D108-N112 VanDerWaalsContact O-CG 3.26Å; D108-N112 PolarHBondContact O-N 3.28Å; D108-N112 PolarHBondContact O-ND2 3.05Å; L109-N112 PolarHBondContact O-N 2.94Å; N112-Q114 VanDerWaalsContact C-N 3.33Å; N112-E115 PolarHBondContact O-N 3.4Å; N112-V116 WeakPolarHBondContact O-CB 3.49Å; N112-V116 VanDerWaalsContact O-CG2 3.3Å; N112-V116 WeakPolarHBondContact O-CG2 3.25Å; N112-V116 PolarHBondContact O-N 3.17Å
113	I	97.9	Very high	96.6	Very high	102 Å²	102	94.4 Å²	94.4	52%	0.523	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-43.5	176.5	-73.9	165.9	0	0	0	110.3	L109 E110 D111 E115 V116 Y117	L109-I113 HydrophobicContact CD1-CD1 4.3Å; L109-I113 HydrophobicContact CD1-CG1 4.41Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 VanDerWaalsContact O-CG1 3.25Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 2.94Å; E110-I113 PolarHBondContact O-N 3.13Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 3.42Å; I113-E115 VanDerWaalsContact C-N 3.35Å; I113-V116 PolarHBondContact O-N 3.27Å; I113-Y117 WeakPolarHBondContact O-CB 3.49Å; I113-Y117 PolarHBondContact O-N 2.91Å
114	Q	97.1	Very high	96.3	Very high	117 Å²	117	93.8 Å²	93.8	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-64.7	-40.8	179.1	-174.7	61.3	15.5	0	0	111.7	E110 D111 N112 Y117 Q118	E110-Q114 PolarHBondContact O-N 3.47Å; D111-Q114 PolarHBondContact O-N 3.38Å; N112-Q114 VanDerWaalsContact C-N 3.33Å; Q114-Y117 PolarHBondContact O-N 3.45Å; Q114-Q118 WeakPolarHBondContact O-CB 3.35Å; Q114-Q118 PolarHBondContact O-N 2.96Å
115	E	97.2	Very high	96	Very high	106 Å²	106	94.9 Å²	94.9	50%	0.495	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-49.2	174.8	179.4	173.1	-165.8	0	0	111.6	D111 N112 I113 Y117 Q118 H119	D111-E115 PolarHBondContact O-N 2.94Å; N112-E115 PolarHBondContact O-N 3.4Å; I113-E115 VanDerWaalsContact C-N 3.35Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 2.8Å; E115-Q118 PolarHBondContact O-N 3.16Å; E115-Q118 VanDerWaalsContact O-N 3.16Å; E115-H119 PolarHBondContact O-CD2 2.81Å; E115-H119 VanDerWaalsContact O-CD2 3.32Å; E115-H119 PolarHBondContact O-N 3.32Å; E115-H119 IonicContact OE1-NE2 2.69Å
116	V	97.3	Very high	95.7	Very high	102 Å²	102	91.5 Å²	91.5	62%	0.618	46%	0.461	S	S	*	.	H	α-helix	trans	-60.8	-40.6	177.1	170	0	0	0	0	111.4	N112 I113 Q118 H119 S120	N112-V116 WeakPolarHBondContact O-CB 3.49Å; N112-V116 VanDerWaalsContact O-CG2 3.3Å; N112-V116 WeakPolarHBondContact O-CG2 3.25Å; N112-V116 PolarHBondContact O-N 3.17Å; I113-V116 PolarHBondContact O-N 3.27Å; V116-Q118 VanDerWaalsContact C-N 3.33Å; V116-Q118 PolarHBondContact O-N 3.49Å; V116-H119 PolarHBondContact O-N 3.37Å; V116-S120 VanDerWaalsContact O-CB 3.28Å; V116-S120 WeakPolarHBondContact O-CB 3.4Å; V116-S120 PolarHBondContact O-N 3.42Å
117	Y	95.8	Very high	95.4	Very high	136 Å²	136	92.8 Å²	92.8	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.4	179	-96	0	0	0	111.6	I113 Q114 E115 S120 K121	I113-Y117 WeakPolarHBondContact O-CB 3.49Å; I113-Y117 PolarHBondContact O-N 2.91Å; Q114-Y117 PolarHBondContact O-N 3.45Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 2.8Å; Y117-S120 PolarHBondContact O-N 3.17Å; Y117-K121 WeakPolarHBondContact O-CB 3.42Å; Y117-K121 PolarHBondContact O-N 3.43Å
118	Q	95.1	Very high	95.1	Very high	74 Å²	74	91.5 Å²	91.5	35%	0.346	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-45.5	178.6	-173.4	55.3	44.2	0	0	111.6	Q114 E115 V116 S120 K121 D122	Q114-Q118 WeakPolarHBondContact O-CB 3.35Å; Q114-Q118 PolarHBondContact O-N 2.96Å; E115-Q118 PolarHBondContact O-N 3.16Å; E115-Q118 VanDerWaalsContact O-N 3.16Å; V116-Q118 VanDerWaalsContact C-N 3.33Å; V116-Q118 PolarHBondContact O-N 3.49Å; Q118-S120 VanDerWaalsContact C-N 3.35Å; Q118-S120 PolarHBondContact O-N 3Å; Q118-K121 WeakPolarHBondContact O-CB 3.27Å; Q118-K121 PolarHBondContact O-N 2.97Å; Q118-D122 PolarHBondContact NE2-OD1 2.87Å; Q118-D122 PolarHBondContact NE2-OD2 2.88Å; Q118-D122 PolarHBondContact O-N 3.41Å
119	H	95.6	Very high	94.8	Very high	103 Å²	103	88.6 Å²	88.6	48%	0.477	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-42.5	174.1	-82.9	-64.8	0	0	0	112.6	E115 V116 K121 D122 N123	E115-H119 PolarHBondContact O-CD2 2.81Å; E115-H119 VanDerWaalsContact O-CD2 3.32Å; E115-H119 PolarHBondContact O-N 3.32Å; E115-H119 IonicContact OE1-NE2 2.69Å; V116-H119 PolarHBondContact O-N 3.37Å; H119-K121 VanDerWaalsContact C-N 3.29Å; H119-K121 PolarHBondContact O-N 3.14Å; H119-D122 PolarHBondContact O-N 3.29Å; H119-N123 VanDerWaalsContact O-CB 3.27Å; H119-N123 WeakPolarHBondContact O-CB 3.28Å; H119-N123 PolarHBondContact O-N 3.41Å; H119-N123 PolarHBondContact O-ND2 2.9Å
120	S	95.1	Very high	94.5	Very high	67 Å²	67	87.8 Å²	87.8	47%	0.469	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-42.6	175.5	-176.6	0	0	0	0	111.5	V116 Y117 Q118 R124	V116-S120 VanDerWaalsContact O-CB 3.28Å; V116-S120 WeakPolarHBondContact O-CB 3.4Å; V116-S120 PolarHBondContact O-N 3.42Å; Y117-S120 PolarHBondContact O-N 3.17Å; Q118-S120 VanDerWaalsContact C-N 3.35Å; Q118-S120 PolarHBondContact O-N 3Å; S120-R124 WeakPolarHBondContact O-CB 3.29Å; S120-R124 PolarHBondContact O-N 3.15Å
121	K	92.6	Very high	94.3	Very high	78 Å²	78	84 Å²	84	34%	0.339	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-46	177.4	-177	-179.1	179.7	-179	0	111.7	Y117 Q118 H119 R124 K125	Y117-K121 WeakPolarHBondContact O-CB 3.42Å; Y117-K121 PolarHBondContact O-N 3.43Å; Q118-K121 WeakPolarHBondContact O-CB 3.27Å; Q118-K121 PolarHBondContact O-N 2.97Å; H119-K121 VanDerWaalsContact C-N 3.29Å; H119-K121 PolarHBondContact O-N 3.14Å; K121-R124 PolarHBondContact O-N 2.94Å; K121-K125 WeakPolarHBondContact O-CG 3.49Å; K121-K125 PolarHBondContact O-N 2.85Å; K121-K125 VanDerWaalsContact O-N 3.16Å
122	D	91.9	Very high	94	Very high	60 Å²	60	78.5 Å²	78.5	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-71.7	-40	-178.6	-66.5	-29	0	0	0	111.8	Q118 H119 R124 K125 E126	Q118-D122 PolarHBondContact NE2-OD1 2.87Å; Q118-D122 PolarHBondContact NE2-OD2 2.88Å; Q118-D122 PolarHBondContact O-N 3.41Å; H119-D122 PolarHBondContact O-N 3.29Å; D122-R124 VanDerWaalsContact C-N 3.26Å; D122-R124 PolarHBondContact O-N 2.91Å; D122-K125 WeakPolarHBondContact O-CB 3.45Å; D122-K125 PolarHBondContact O-N 3.34Å; D122-K125 VanDerWaalsContact O-N 3.08Å; D122-K125 IonicContact OD1-NZ 3.36Å; D122-K125 PolarHBondContact OD1-NZ 3.34Å; D122-E126 PolarHBondContact O-N 3.42Å
123	N	93.5	Very high	93.8	Very high	98 Å²	98	75.7 Å²	75.7	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-56.4	-41.5	170.5	-73.8	-19.4	0	0	0	111.7	H119 K125 E126 I127	H119-N123 VanDerWaalsContact O-CB 3.27Å; H119-N123 WeakPolarHBondContact O-CB 3.28Å; H119-N123 PolarHBondContact O-N 3.41Å; H119-N123 PolarHBondContact O-ND2 2.9Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K125 PolarHBondContact O-N 3.16Å; N123-E126 PolarHBondContact O-N 3.42Å; N123-I127 WeakPolarHBondContact O-CB 3.41Å; N123-I127 WeakPolarHBondContact O-CD1 3.22Å; N123-I127 WeakPolarHBondContact O-CG1 3.45Å; N123-I127 PolarHBondContact O-N 3.49Å
124	R	91.9	Very high	93.5	Very high	109 Å²	109	79.3 Å²	79.3	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-36.8	177.5	-172.2	172.8	63.3	-148.2	-4	112.5	S120 K121 D122 G128 E162	S120-R124 WeakPolarHBondContact O-CB 3.29Å; S120-R124 PolarHBondContact O-N 3.15Å; K121-R124 PolarHBondContact O-N 2.94Å; D122-R124 VanDerWaalsContact C-N 3.26Å; D122-R124 PolarHBondContact O-N 2.91Å; R124-G128 PolarHBondContact O-N 3.35Å; R124-G128 VanDerWaalsContact O-N 3.11Å; R124-E162 WeakPolarHBondContact CD-O 3.4Å; R124-E162 PolarHBondContact NE-O 3.44Å
125	K	91.6	Very high	93.3	Very high	78 Å²	78	80.6 Å²	80.6	34%	0.339	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-44.6	174.8	-64.1	175.1	-169.7	154.6	0	111.4	K121 D122 N123 G128 R129 R163	K121-K125 WeakPolarHBondContact O-CG 3.49Å; K121-K125 PolarHBondContact O-N 2.85Å; K121-K125 VanDerWaalsContact O-N 3.16Å; D122-K125 WeakPolarHBondContact O-CB 3.45Å; D122-K125 PolarHBondContact O-N 3.34Å; D122-K125 VanDerWaalsContact O-N 3.08Å; D122-K125 IonicContact OD1-NZ 3.36Å; D122-K125 PolarHBondContact OD1-NZ 3.34Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K125 PolarHBondContact O-N 3.16Å; K125-G128 PolarHBondContact O-N 2.95Å; K125-R129 PolarHBondContact O-N 2.99Å; K125-R163 WeakPolarHBondContact CA-O 3.38Å
126	E	90.9	Very high	93.1	Very high	72 Å²	72	76.4 Å²	76.4	34%	0.336	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-40.8	-179	-178.7	57.9	-169.7	0	0	111.6	D122 N123 G128 R129 L130	D122-E126 PolarHBondContact O-N 3.42Å; N123-E126 PolarHBondContact O-N 3.42Å; E126-G128 VanDerWaalsContact C-N 3.32Å; E126-G128 PolarHBondContact O-N 3.48Å; E126-R129 PolarHBondContact O-N 2.9Å; E126-R129 IonicContact OE1-CZ 2.84Å; E126-R129 IonicContact OE1-NE 3.49Å; E126-R129 IonicContact OE1-NH2 3.59Å; E126-R129 PolarHBondContact OE1-NH2 3.45Å; E126-R129 IonicContact OE2-CZ 2.78Å; E126-R129 IonicContact OE2-NE 3.15Å; E126-R129 PolarHBondContact OE2-NE 2.85Å; E126-R129 IonicContact OE2-NH2 2.98Å; E126-R129 PolarHBondContact OE2-NH2 2.8Å; E126-L130 HydrophobicContact CG-CD1 4.16Å; E126-L130 HydrophobicContact CG-CG 4.49Å; E126-L130 WeakPolarHBondContact O-CB 3.21Å; E126-L130 VanDerWaalsContact O-CG 3.3Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.39Å
127	I	91.9	Very high	93	Very high	93 Å²	93	75.3 Å²	75.3	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-57.8	-46.3	171	-70.4	165.4	0	0	0	110.5	N123 R129 L130 E131	N123-I127 WeakPolarHBondContact O-CB 3.41Å; N123-I127 WeakPolarHBondContact O-CD1 3.22Å; N123-I127 WeakPolarHBondContact O-CG1 3.45Å; N123-I127 PolarHBondContact O-N 3.49Å; I127-R129 PolarHBondContact O-N 2.65Å; I127-L130 PolarHBondContact O-N 2.84Å; I127-E131 HydrophobicContact CG2-CG 4.14Å; I127-E131 WeakPolarHBondContact O-CB 3.39Å; I127-E131 VanDerWaalsContact O-CG 3.3Å; I127-E131 WeakPolarHBondContact O-CG 3.43Å; I127-E131 PolarHBondContact O-N 3.48Å
128	G	91.8	Very high	92.9	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-45.2	177.8	0	0	0	0	0	112.8	R124 K125 E126 E131 G132 R163	R124-G128 PolarHBondContact O-N 3.35Å; R124-G128 VanDerWaalsContact O-N 3.11Å; K125-G128 PolarHBondContact O-N 2.95Å; E126-G128 VanDerWaalsContact C-N 3.32Å; E126-G128 PolarHBondContact O-N 3.48Å; G128-E131 PolarHBondContact O-N 3.08Å; G128-G132 PolarHBondContact O-N 3.3Å; G128-R163 WeakPolarHBondContact CA-O 3.44Å
129	R	91.6	Very high	92.8	Very high	36 Å²	36	73.4 Å²	73.4	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-49.8	175.3	-170.5	-169.7	69.5	80	-2.5	111.9	K125 E126 I127 G132 C133 F262 D264	K125-R129 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact O-N 2.9Å; E126-R129 IonicContact OE1-CZ 2.84Å; E126-R129 IonicContact OE1-NE 3.49Å; E126-R129 IonicContact OE1-NH2 3.59Å; E126-R129 PolarHBondContact OE1-NH2 3.45Å; E126-R129 IonicContact OE2-CZ 2.78Å; E126-R129 IonicContact OE2-NE 3.15Å; E126-R129 PolarHBondContact OE2-NE 2.85Å; E126-R129 IonicContact OE2-NH2 2.98Å; E126-R129 PolarHBondContact OE2-NH2 2.8Å; I127-R129 PolarHBondContact O-N 2.65Å; R129-G132 PolarHBondContact O-N 3.16Å; R129-C133 PolarHBondContact O-N 2.64Å; R129-C133 PolarHBondContact O-SG 2.63Å; R129-F262 HydrophobicContact CG-CB 4.49Å; R129-D264 IonicContact CZ-OD1 3.72Å; R129-D264 IonicContact NH1-OD1 2.72Å; R129-D264 PolarHBondContact NH1-OD1 2.93Å
130	L	92.1	Very high	92.6	Very high	86 Å²	86	71.4 Å²	71.4	45%	0.45	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-45.9	179.2	-70.6	174	0	0	0	111.7	E126 I127 G132 C133 H134	E126-L130 HydrophobicContact CG-CD1 4.16Å; E126-L130 HydrophobicContact CG-CG 4.49Å; E126-L130 WeakPolarHBondContact O-CB 3.21Å; E126-L130 VanDerWaalsContact O-CG 3.3Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.39Å; I127-L130 PolarHBondContact O-N 2.84Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 3.5Å; L130-C133 PolarHBondContact O-N 3.04Å; L130-H134 WeakPolarHBondContact O-CB 3.46Å; L130-H134 PolarHBondContact O-N 2.82Å
131	E	93.1	Very high	92.5	Very high	46 Å²	46	72.8 Å²	72.8	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-45.1	175.4	-72.5	-162.6	131.5	0	0	111.1	I127 G128 C133 H134 K135 G136 L145 R163	I127-E131 HydrophobicContact CG2-CG 4.14Å; I127-E131 WeakPolarHBondContact O-CB 3.39Å; I127-E131 VanDerWaalsContact O-CG 3.3Å; I127-E131 WeakPolarHBondContact O-CG 3.43Å; I127-E131 PolarHBondContact O-N 3.48Å; G128-E131 PolarHBondContact O-N 3.08Å; E131-C133 PolarHBondContact O-N 2.56Å; E131-H134 PolarHBondContact O-N 2.66Å; E131-K135 HydrophobicContact CB-CD 4.46Å; E131-K135 HydrophobicContact CG-CD 4.38Å; E131-K135 WeakPolarHBondContact O-CA 3.44Å; E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.36Å; E131-K135 PolarHBondContact O-N 3.25Å; E131-K135 IonicContact OE1-NZ 2.64Å; E131-K135 PolarHBondContact OE1-NZ 3.3Å; E131-G136 PolarHBondContact O-N 2.78Å; E131-L145 HydrophobicContact CB-CD2 3.91Å; E131-R163 IonicContact OE2-NH1 3.96Å; E131-R163 PolarHBondContact OE2-NH1 3.41Å; E131-R163 VanDerWaalsContact OE2-NH1 3.17Å
132	G	93	Very high	92.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-40.3	179.2	0	0	0	0	0	113.5	G128 R129 L130 G136	G128-G132 PolarHBondContact O-N 3.3Å; R129-G132 PolarHBondContact O-N 3.16Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 3.5Å; G132-G136 CarbonylContact O-C 3.54Å; G132-G136 WeakPolarHBondContact O-CA 3.27Å; G132-G136 PolarHBondContact O-N 2.7Å
133	C	93.1	Very high	92.8	Very high	27 Å²	27	66.9 Å²	66.9	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-81.5	-28.5	-179.5	-61.1	0	0	0	0	113.7	R129 L130 E131 C143	R129-C133 PolarHBondContact O-N 2.64Å; R129-C133 PolarHBondContact O-SG 2.63Å; L130-C133 PolarHBondContact O-N 3.04Å; E131-C133 PolarHBondContact O-N 2.56Å; C133-C143 WeakPolarHBondContact CA-SG 3.32Å; C133-C143 HydrophobicContact CB-CB 3.89Å; C133-C143 WeakPolarHBondContact CB-SG 3.37Å; C133-C143 WeakPolarHBondContact SG-CB 3.35Å; C133-C143 CovalentContact SG-SG 2.03Å; C133-C143 PolarHBondContact SG-SG 3.49Å
134	H	91.1	Very high	92.9	Very high	178 Å²	178	62.3 Å²	62.3	82%	0.824	30%	0.301	S	S	*	.	H	α-helix	trans	-98	-38.2	-173.4	-149.3	73.3	0	0	0	113.3	L130 E131	L130-H134 WeakPolarHBondContact O-CB 3.46Å; L130-H134 PolarHBondContact O-N 2.82Å; E131-H134 PolarHBondContact O-N 2.66Å
135	K	92.3	Very high	93.2	Very high	143 Å²	143	58 Å²	58	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-24.2	177.1	-57.3	177.5	-179	171.5	0	112.5	E131 L145	E131-K135 HydrophobicContact CB-CD 4.46Å; E131-K135 HydrophobicContact CG-CD 4.38Å; E131-K135 WeakPolarHBondContact O-CA 3.44Å; E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.36Å; E131-K135 PolarHBondContact O-N 3.25Å; E131-K135 IonicContact OE1-NZ 2.64Å; E131-K135 PolarHBondContact OE1-NZ 3.3Å; K135-L145 HydrophobicContact CB-CD1 4.38Å
136	G	94.1	Very high	93.5	Very high	18 Å²	18	54.5 Å²	54.5	19%	0.186	27%	0.271	C	S	.	.	S	Bend	trans	-92.8	-154.6	-177.8	0	0	0	0	0	113.8	E131 G132 Y144 Y182	E131-G136 PolarHBondContact O-N 2.78Å; G132-G136 CarbonylContact O-C 3.54Å; G132-G136 WeakPolarHBondContact O-CA 3.27Å; G132-G136 PolarHBondContact O-N 2.7Å; G136-Y144 CarbonylContact C-O 3.59Å; G136-Y144 WeakPolarHBondContact CA-O 3.41Å; G136-Y182 WeakPolarHBondContact CA-OH 3.44Å
137	Q	94.2	Very high	93.8	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.5	176.6	179.5	62.7	60.7	0	0	110.4	C143 Y144 Y182	Q137-C143 CarbonylContact O-C 3.52Å; Q137-C143 WeakPolarHBondContact O-CA 3.37Å; Q137-Y144 PolarHBondContact N-O 2.78Å; Q137-Y144 PolarHBondContact O-N 2.9Å; Q137-Y182 HydrophobicContact CB-CD1 3.67Å; Q137-Y182 HydrophobicContact CB-CD2 3.78Å; Q137-Y182 HydrophobicContact CB-CE1 4.07Å; Q137-Y182 HydrophobicContact CB-CE2 4.19Å; Q137-Y182 HydrophobicContact CB-CG 3.52Å; Q137-Y182 HydrophobicContact CG-CG 4.24Å
138	R	94.5	Very high	94	Very high	133 Å²	133	53.3 Å²	53.3	50%	0.502	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.1	171.3	-174.1	175.1	176.3	149.7	7.1	110.9	G140 D264	R138-G140 PolarHBondContact NE-O 2.98Å; R138-D264 IonicContact CZ-OD2 3.17Å; R138-D264 IonicContact NE-OD2 3.26Å; R138-D264 IonicContact NH1-OD2 2.75Å; R138-D264 PolarHBondContact NH1-OD2 3.36Å; R138-D264 VanDerWaalsContact NH1-OD2 3.16Å; R138-D264 IonicContact NH2-OD2 3.54Å; R138-D264 PolarHBondContact NH2-OD2 3.49Å
139	L	93.4	Very high	94.1	Very high	37 Å²	37	57.2 Å²	57.2	19%	0.194	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	97.8	173.6	-172.5	68.4	0	0	0	109.7	Y141 K142 Y144 E175 A178	L139-Y141 PolarHBondContact O-N 2.94Å; L139-K142 CarbonylContact C-O 3.53Å; L139-K142 PolarHBondContact N-O 3.2Å; L139-K142 PolarHBondContact O-N 2.97Å; L139-Y144 HydrophobicContact CB-CD2 4.5Å; L139-Y144 HydrophobicContact CB-CE2 3.99Å; L139-Y144 HydrophobicContact CD2-CE2 4.26Å; L139-E175 HydrophobicContact CD2-CB 4Å; L139-E175 HydrophobicContact CD2-CG 3.75Å; L139-A178 HydrophobicContact CD1-CB 4.07Å; L139-A178 HydrophobicContact CD2-CB 3.95Å
140	G	91.1	Very high	94.4	Very high	60 Å²	60	60 Å²	60	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-116.4	-172.6	0	0	0	0	0	111.1	R138	R138-G140 PolarHBondContact NE-O 2.98Å
141	Y	92	Very high	94.7	Very high	96 Å²	96	56.1 Å²	56.1	38%	0.376	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.6	176.6	64.7	-93.1	0	0	0	113.8	L139 D264 R265	L139-Y141 PolarHBondContact O-N 2.94Å; Y141-D264 VanDerWaalsContact O-CB 3.22Å; Y141-D264 WeakPolarHBondContact O-CB 3.31Å; Y141-D264 PolarHBondContact O-N 3.09Å; Y141-R265 VanDerWaalsContact CD2-NE 3.34Å; Y141-R265 VanDerWaalsContact CE2-NH2 3.27Å; Y141-R265 HydrophobicContact CG-CG 4.32Å
142	K	94.6	Very high	95	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.065	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.9	174.9	-65.1	-177.2	-178.8	176	0	109.8	L139 Y144 M169 E175 F262	L139-K142 CarbonylContact C-O 3.53Å; L139-K142 PolarHBondContact N-O 3.2Å; L139-K142 PolarHBondContact O-N 2.97Å; K142-Y144 HydrophobicContact CB-CE2 4.07Å; K142-Y144 VanDerWaalsContact CD-OH 3.24Å; K142-Y144 WeakPolarHBondContact CD-OH 3.35Å; K142-M169 PolarHBondContact NZ-O 3Å; K142-E175 WeakPolarHBondContact CE-OE1 3.08Å; K142-E175 VanDerWaalsContact NZ-CD 3.29Å; K142-E175 IonicContact NZ-OE1 3.85Å; K142-E175 PolarHBondContact NZ-OE1 3.2Å; K142-E175 IonicContact NZ-OE2 3.91Å; K142-E175 PolarHBondContact NZ-OE2 2.88Å; K142-F262 WeakPolarHBondContact CA-O 3.44Å
143	C	96.2	Very high	95.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.1	173	-61	0	0	0	0	109.4	C133 Q137 E261 F262	C133-C143 WeakPolarHBondContact CA-SG 3.32Å; C133-C143 HydrophobicContact CB-CB 3.89Å; C133-C143 WeakPolarHBondContact CB-SG 3.37Å; C133-C143 WeakPolarHBondContact SG-CB 3.35Å; C133-C143 CovalentContact SG-SG 2.03Å; C133-C143 PolarHBondContact SG-SG 3.49Å; Q137-C143 CarbonylContact O-C 3.52Å; Q137-C143 WeakPolarHBondContact O-CA 3.37Å; C143-E261 CarbonylContact O-C 3.44Å; C143-E261 VanDerWaalsContact O-CA 3.26Å; C143-E261 WeakPolarHBondContact O-CA 3.42Å; C143-F262 HydrophobicContact CB-CB 4.41Å; C143-F262 PolarHBondContact N-O 3.31Å; C143-F262 PolarHBondContact O-N 3.37Å
144	Y	97.4	Very high	95.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.5	-175.8	-60.4	-78.5	0	0	0	110.9	G136 Q137 L139 K142 A168 L179 Y182 C260 E261	G136-Y144 CarbonylContact C-O 3.59Å; G136-Y144 WeakPolarHBondContact CA-O 3.41Å; Q137-Y144 PolarHBondContact N-O 2.78Å; Q137-Y144 PolarHBondContact O-N 2.9Å; L139-Y144 HydrophobicContact CB-CD2 4.5Å; L139-Y144 HydrophobicContact CB-CE2 3.99Å; L139-Y144 HydrophobicContact CD2-CE2 4.26Å; K142-Y144 HydrophobicContact CB-CE2 4.07Å; K142-Y144 VanDerWaalsContact CD-OH 3.24Å; K142-Y144 WeakPolarHBondContact CD-OH 3.35Å; Y144-A168 HydrophobicContact CD1-CB 3.79Å; Y144-A168 HydrophobicContact CE1-CB 3.84Å; Y144-L179 HydrophobicContact CD1-CD1 3.91Å; Y144-L179 HydrophobicContact CD2-CD1 4.39Å; Y144-L179 HydrophobicContact CE1-CD1 4.48Å; Y144-L179 HydrophobicContact CE1-CD2 4.5Å; Y144-L179 HydrophobicContact CG-CD1 3.86Å; Y144-Y182 WeakPolarHBondContact O-CE1 3.29Å; Y144-C260 CarbonylContact C-O 3.38Å; Y144-C260 VanDerWaalsContact CA-O 3.27Å; Y144-C260 WeakPolarHBondContact CA-O 3.41Å; Y144-E261 HydrophobicContact CD1-CB 3.6Å; Y144-E261 HydrophobicContact CE1-CB 3.51Å
145	L	97.6	Very high	95.8	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.089	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.5	175.4	-169.8	54.5	0	0	0	111.1	E131 K135 Y147 V259 C260 F262	E131-L145 HydrophobicContact CB-CD2 3.91Å; K135-L145 HydrophobicContact CB-CD1 4.38Å; L145-Y147 HydrophobicContact CB-CE2 4.14Å; L145-Y147 HydrophobicContact CD2-CE1 4.28Å; L145-Y147 HydrophobicContact CD2-CE2 4.06Å; L145-Y147 VanDerWaalsContact CD2-OH 3.29Å; L145-Y147 WeakPolarHBondContact CD2-OH 3.24Å; L145-Y147 HydrophobicContact CG-CE2 4.02Å; L145-V259 WeakPolarHBondContact O-CA 3.39Å; L145-C260 PolarHBondContact N-O 3.09Å; L145-C260 PolarHBondContact O-N 2.98Å; L145-F262 HydrophobicContact CB-CE2 3.98Å
146	V	97.7	Very high	96.1	Very high	6 Å²	6	44 Å²	44	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.5	174.2	174.7	0	0	0	0	110	Y182 V183 F186 F187 V259	V146-Y182 HydrophobicContact CB-CE1 4.41Å; V146-Y182 HydrophobicContact CG2-CD1 4.16Å; V146-Y182 HydrophobicContact CG2-CE1 3.61Å; V146-Y182 PolarHBondContact N-OH 2.75Å; V146-V183 HydrophobicContact CG2-CG2 3.78Å; V146-F186 HydrophobicContact CB-CD1 4.17Å; V146-F186 HydrophobicContact CB-CD2 4.28Å; V146-F186 HydrophobicContact CB-CE1 4.36Å; V146-F186 HydrophobicContact CB-CE2 4.45Å; V146-F186 HydrophobicContact CB-CG 4.13Å; V146-F186 HydrophobicContact CB-CZ 4.5Å; V146-F186 HydrophobicContact CG1-CD1 3.53Å; V146-F186 HydrophobicContact CG1-CD2 4.47Å; V146-F186 HydrophobicContact CG1-CE1 3.61Å; V146-F186 HydrophobicContact CG1-CG 4Å; V146-F186 HydrophobicContact CG1-CZ 4.12Å; V146-F187 HydrophobicContact CG1-CD2 4.4Å; V146-F187 HydrophobicContact CG1-CE2 3.39Å; V146-F187 HydrophobicContact CG1-CZ 3.59Å; V146-V259 HydrophobicContact CG2-CB 4.19Å; V146-V259 HydrophobicContact CG2-CG2 4.04Å
147	Y	96.7	Very high	96.3	Very high	28 Å²	28	44.2 Å²	44.2	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.8	172.1	-71	-84.1	0	0	0	110	L145 N149 R163 Y258 C260	L145-Y147 HydrophobicContact CB-CE2 4.14Å; L145-Y147 HydrophobicContact CD2-CE1 4.28Å; L145-Y147 HydrophobicContact CD2-CE2 4.06Å; L145-Y147 VanDerWaalsContact CD2-OH 3.29Å; L145-Y147 WeakPolarHBondContact CD2-OH 3.24Å; L145-Y147 HydrophobicContact CG-CE2 4.02Å; Y147-N149 PolarHBondContact O-N 2.94Å; Y147-R163 VanDerWaalsContact OH-CD 3.24Å; Y147-R163 WeakPolarHBondContact OH-CD 3.29Å; Y147-R163 PolarHBondContact OH-NH1 3.43Å; Y147-Y258 VanDerWaalsContact CB-CZ 3.43Å; Y147-Y258 HydrophobicContact CD2-CD2 4.05Å; Y147-Y258 AromaticContact CD2-CE2 3.45Å; Y147-Y258 HydrophobicContact CD2-CE2 3.45Å; Y147-Y258 VanDerWaalsContact CD2-CE2 3.45Å; Y147-Y258 HydrophobicContact CE2-CE2 4.34Å; Y147-Y258 HydrophobicContact CG-CD2 4.43Å; Y147-Y258 AromaticContact CG-CE2 3.66Å; Y147-Y258 HydrophobicContact CG-CE2 3.66Å; Y147-Y258 AromaticContact CG-CZ 3.83Å; Y147-Y258 PolarHBondContact N-O 3.39Å; Y147-Y258 PolarHBondContact O-N 2.87Å; Y147-C260 HydrophobicContact CD2-CB 4.49Å; Y147-C260 HydrophobicContact CE2-CB 4.07Å; Y147-C260 WeakPolarHBondContact CE2-SG 3.13Å
148	N	95.9	Very high	96.5	Very high	111 Å²	111	47.8 Å²	47.8	59%	0.594	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	61	170	-168.6	10.1	0	0	0	110.6	F186 F187 N257	N148-F186 HydrophobicContact CB-CE1 4.1Å; N148-F186 HydrophobicContact CB-CZ 4.36Å; N148-F187 HydrophobicContact CB-CE1 4.36Å; N148-N257 VanDerWaalsContact CA-OD1 3.31Å; N148-N257 WeakPolarHBondContact CA-OD1 3.44Å; N148-N257 PolarHBondContact OD1-OD1 3.32Å; N148-N257 VanDerWaalsContact OD1-OD1 3.09Å
149	N	95.3	Very high	96.6	Very high	82 Å²	82	44.1 Å²	44.1	44%	0.439	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.4	178.7	-178.2	-104.7	0	0	0	108.2	Y147 A151 K159 N257 Y258	Y147-N149 PolarHBondContact O-N 2.94Å; N149-A151 PolarHBondContact O-N 3.17Å; N149-K159 PolarHBondContact OD1-NZ 2.89Å; N149-N257 PolarHBondContact N-OD1 3.4Å; N149-Y258 HydrophobicContact CB-CE1 4.34Å; N149-Y258 WeakPolarHBondContact O-CD1 3.47Å; N149-Y258 WeakPolarHBondContact O-CE1 3.19Å
150	L	97.6	Very high	96.8	Very high	94 Å²	94	42.4 Å²	42.4	49%	0.492	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.1	-170.8	-53.1	176.2	0	0	0	110.5	I255 M256 N257	L150-I255 VanDerWaalsContact C-CG2 3.42Å; L150-I255 HydrophobicContact CB-CB 4.47Å; L150-I255 HydrophobicContact CB-CG2 3.3Å; L150-M256 WeakPolarHBondContact CA-O 3.45Å; L150-N257 WeakPolarHBondContact CD2-OD1 3.13Å
151	A	98.3	Very high	97	Very high	6 Å²	6	44.6 Å²	44.6	5%	0.05	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.7	173.2	0	0	0	0	0	111.5	N149 A156 W195 I255 M256 Y258	N149-A151 PolarHBondContact O-N 3.17Å; A151-A156 HydrophobicContact CB-CB 4.13Å; A151-W195 PolarHBondContact O-NE1 2.03Å; A151-I255 WeakPolarHBondContact O-CA 3.45Å; A151-M256 PolarHBondContact N-O 2.98Å; A151-M256 PolarHBondContact O-N 2.75Å; A151-Y258 HydrophobicContact CB-CD1 4.36Å; A151-Y258 HydrophobicContact CB-CE1 4.35Å
152	D	98.6	Very high	97.1	Very high	59 Å²	59	44.4 Å²	44.4	32%	0.316	23%	0.228	S	C	.	.			trans	-66.3	166.9	162.6	63.7	-16.7	0	0	0	110.7	A154 G155 A156 R254 I255	D152-A154 VanDerWaalsContact C-N 3.32Å; D152-A154 PolarHBondContact O-N 3.19Å; D152-G155 PolarHBondContact O-N 3.06Å; D152-G155 WeakPolarHBondContact OD1-CA 3.45Å; D152-G155 PolarHBondContact OD1-N 2.03Å; D152-A156 VanDerWaalsContact O-CB 3.31Å; D152-A156 WeakPolarHBondContact O-CB 3.4Å; D152-A156 PolarHBondContact O-N 2.8Å; D152-R254 WeakPolarHBondContact CA-O 3.14Å; D152-I255 HydrophobicContact CB-CD1 3.9Å
153	Y	98.6	Very high	97.1	Very high	13 Å²	13	47.8 Å²	47.8	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-47.3	-177.6	-176.7	-87.2	0	0	0	111.9	A156 S157 L167 W195 L196 I198 N199 D210 C237 C252	Y153-A156 PolarHBondContact O-N 3.29Å; Y153-S157 WeakPolarHBondContact O-CB 3.42Å; Y153-S157 PolarHBondContact O-N 3.3Å; Y153-L167 HydrophobicContact CD2-CD1 4.38Å; Y153-L167 HydrophobicContact CE1-CD1 4.41Å; Y153-L167 HydrophobicContact CE2-CD1 4.09Å; Y153-W195 HydrophobicContact CD2-CD2 4.18Å; Y153-W195 AromaticContact CD2-CE3 3.92Å; Y153-W195 HydrophobicContact CD2-CE3 3.92Å; Y153-W195 HydrophobicContact CD2-CZ3 4.4Å; Y153-L196 WeakPolarHBondContact CE2-O 3.07Å; Y153-I198 PolarHBondContact OH-N 2.81Å; Y153-N199 PolarHBondContact OH-ND2 2.83Å; Y153-D210 PolarHBondContact OH-OD1 3.35Å; Y153-C237 HydrophobicContact CD2-CB 3.52Å; Y153-C237 VanDerWaalsContact CD2-SG 3.52Å; Y153-C237 HydrophobicContact CE2-CB 4Å; Y153-C237 HydrophobicContact CG-CB 3.95Å; Y153-C252 WeakPolarHBondContact CB-O 3.11Å; Y153-C252 PolarHBondContact N-O 3.45Å
154	A	98.4	Very high	97	Very high	65 Å²	65	49.6 Å²	49.6	54%	0.537	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-42.2	-179.6	0	0	0	0	0	112	D152 S157 R158	D152-A154 VanDerWaalsContact C-N 3.32Å; D152-A154 PolarHBondContact O-N 3.19Å; A154-S157 PolarHBondContact O-N 3.18Å; A154-R158 WeakPolarHBondContact O-CB 3.43Å; A154-R158 PolarHBondContact O-N 3.28Å
155	G	98.5	Very high	96.9	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-39.4	175.7	0	0	0	0	0	112.8	D152 K159	D152-G155 PolarHBondContact O-N 3.06Å; D152-G155 WeakPolarHBondContact OD1-CA 3.45Å; D152-G155 PolarHBondContact OD1-N 2.03Å; G155-K159 WeakPolarHBondContact O-CB 3.07Å; G155-K159 VanDerWaalsContact O-CG 3.25Å; G155-K159 WeakPolarHBondContact O-CG 3.01Å; G155-K159 PolarHBondContact O-N 3.5Å
156	A	98.6	Very high	96.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-47.1	175	0	0	0	0	0	111.4	A151 D152 Y153 R158 K159 C160 L167 Y258	A151-A156 HydrophobicContact CB-CB 4.13Å; D152-A156 VanDerWaalsContact O-CB 3.31Å; D152-A156 WeakPolarHBondContact O-CB 3.4Å; D152-A156 PolarHBondContact O-N 2.8Å; Y153-A156 PolarHBondContact O-N 3.29Å; A156-R158 PolarHBondContact O-N 2.97Å; A156-K159 PolarHBondContact O-N 2.93Å; A156-C160 PolarHBondContact O-N 3.43Å; A156-C160 PolarHBondContact O-SG 3.34Å; A156-L167 HydrophobicContact CB-CD2 3.99Å; A156-Y258 HydrophobicContact CB-CD1 3.82Å; A156-Y258 HydrophobicContact CB-CD2 4.3Å; A156-Y258 HydrophobicContact CB-CG 3.68Å
157	S	98.1	Very high	96.9	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-47.8	175.5	-168.9	0	0	0	0	111.7	Y153 A154 K159 C160 L161 D210	Y153-S157 WeakPolarHBondContact O-CB 3.42Å; Y153-S157 PolarHBondContact O-N 3.3Å; A154-S157 PolarHBondContact O-N 3.18Å; S157-K159 PolarHBondContact O-N 3.45Å; S157-C160 PolarHBondContact O-N 3.18Å; S157-L161 WeakPolarHBondContact O-CG 3.27Å; S157-L161 PolarHBondContact O-N 2.87Å; S157-D210 PolarHBondContact OG-OD2 2.95Å
158	R	97.7	Very high	96.9	Very high	154 Å²	154	51.9 Å²	51.9	58%	0.581	27%	0.268	S	S	*	.	H	α-helix	trans	-59.6	-44.2	175.5	-177.7	174.7	58.6	-146.4	-7.7	112.6	A154 A156 C160 L161 E162	A154-R158 WeakPolarHBondContact O-CB 3.43Å; A154-R158 PolarHBondContact O-N 3.28Å; A156-R158 PolarHBondContact O-N 2.97Å; R158-C160 VanDerWaalsContact C-N 3.33Å; R158-C160 PolarHBondContact O-N 3.11Å; R158-L161 PolarHBondContact O-N 3.39Å; R158-E162 HydrophobicContact CG-CG 4.35Å; R158-E162 WeakPolarHBondContact CG-OE1 3.42Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.98Å
159	K	97	Very high	97	Very high	57 Å²	57	46.6 Å²	46.6	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-38.5	179.1	-76.1	174.1	-174.8	175.6	0	112.3	N149 G155 A156 S157 Y258	N149-K159 PolarHBondContact OD1-NZ 2.89Å; G155-K159 WeakPolarHBondContact O-CB 3.07Å; G155-K159 VanDerWaalsContact O-CG 3.25Å; G155-K159 WeakPolarHBondContact O-CG 3.01Å; G155-K159 PolarHBondContact O-N 3.5Å; A156-K159 PolarHBondContact O-N 2.93Å; S157-K159 PolarHBondContact O-N 3.45Å; K159-Y258 HydrophobicContact CB-CE2 4.22Å; K159-Y258 HydrophobicContact CD-CE1 4.03Å; K159-Y258 WeakPolarHBondContact CD-OH 3.3Å
160	C	97.3	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-44	173.4	-64.8	0	0	0	0	111.9	A156 S157 R158 E162 R163 G164 G165 R166 C260	A156-C160 PolarHBondContact O-N 3.43Å; A156-C160 PolarHBondContact O-SG 3.34Å; S157-C160 PolarHBondContact O-N 3.18Å; R158-C160 VanDerWaalsContact C-N 3.33Å; R158-C160 PolarHBondContact O-N 3.11Å; C160-E162 PolarHBondContact O-N 3.11Å; C160-R163 CarbonylContact O-C 3.19Å; C160-R163 PolarHBondContact O-N 2.82Å; C160-G164 PolarHBondContact O-N 3.09Å; C160-G165 CarbonylContact C-O 3.59Å; C160-G165 CarbonylContact O-C 3.52Å; C160-G165 WeakPolarHBondContact O-CA 3.36Å; C160-G165 PolarHBondContact O-N 2.95Å; C160-R166 VanDerWaalsContact CB-C 3.42Å; C160-C260 WeakPolarHBondContact CA-SG 3.38Å; C160-C260 HydrophobicContact CB-CB 3.77Å; C160-C260 WeakPolarHBondContact CB-SG 3.3Å; C160-C260 WeakPolarHBondContact SG-CA 3.44Å; C160-C260 WeakPolarHBondContact SG-CB 3.11Å; C160-C260 CovalentContact SG-SG 2.04Å; C160-C260 PolarHBondContact SG-SG 2.88Å
161	L	95.6	Very high	97	Very high	106 Å²	106	41.2 Å²	41.2	56%	0.555	21%	0.207	S	C	*	.	H	α-helix	trans	-62.5	-41.1	178.6	-71.3	168.6	0	0	0	112.9	S157 R158 R163 G164 G165	S157-L161 WeakPolarHBondContact O-CG 3.27Å; S157-L161 PolarHBondContact O-N 2.87Å; R158-L161 PolarHBondContact O-N 3.39Å; L161-R163 PolarHBondContact O-N 2.95Å; L161-G164 PolarHBondContact O-N 3.44Å; L161-G165 WeakPolarHBondContact CA-O 3.45Å
162	E	94.2	Very high	96.9	Very high	93 Å²	93	44.3 Å²	44.3	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-30.6	176.8	-78	172.3	-175.7	0	0	112.2	R124 R158 C160 G164	R124-E162 WeakPolarHBondContact CD-O 3.4Å; R124-E162 PolarHBondContact NE-O 3.44Å; R158-E162 HydrophobicContact CG-CG 4.35Å; R158-E162 WeakPolarHBondContact CG-OE1 3.42Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.98Å; C160-E162 PolarHBondContact O-N 3.11Å; E162-G164 VanDerWaalsContact C-N 3.35Å
163	R	93.8	Very high	96.8	Very high	85 Å²	85	48.4 Å²	48.4	32%	0.321	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.4	177.4	-65.3	177.2	173.3	-100.5	0.4	113.6	K125 G128 E131 Y147 C160 L161 G165 F262	K125-R163 WeakPolarHBondContact CA-O 3.38Å; G128-R163 WeakPolarHBondContact CA-O 3.44Å; E131-R163 IonicContact OE2-NH1 3.96Å; E131-R163 PolarHBondContact OE2-NH1 3.41Å; E131-R163 VanDerWaalsContact OE2-NH1 3.17Å; Y147-R163 VanDerWaalsContact OH-CD 3.24Å; Y147-R163 WeakPolarHBondContact OH-CD 3.29Å; Y147-R163 PolarHBondContact OH-NH1 3.43Å; C160-R163 CarbonylContact O-C 3.19Å; C160-R163 PolarHBondContact O-N 2.82Å; L161-R163 PolarHBondContact O-N 2.95Å; R163-G165 VanDerWaalsContact C-N 3.27Å; R163-G165 PolarHBondContact O-N 2.79Å; R163-F262 HydrophobicContact CB-CE1 4.05Å; R163-F262 HydrophobicContact CB-CZ 4.38Å; R163-F262 WeakPolarHBondContact O-CE1 3.5Å
164	G	93.5	Very high	96.6	Very high	38 Å²	38	55 Å²	55	39%	0.392	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	10.7	-179.7	0	0	0	0	0	115.1	C160 L161 E162	C160-G164 PolarHBondContact O-N 3.09Å; L161-G164 PolarHBondContact O-N 3.44Å; E162-G164 VanDerWaalsContact C-N 3.35Å
165	G	95.4	Very high	96.6	Very high	7 Å²	7	52.8 Å²	52.8	7%	0.072	24%	0.241	C	C	.	.			trans	-107.7	-158.1	171.9	0	0	0	0	0	111.5	C160 L161 R163 E261 F262	C160-G165 CarbonylContact C-O 3.59Å; C160-G165 CarbonylContact O-C 3.52Å; C160-G165 WeakPolarHBondContact O-CA 3.36Å; C160-G165 PolarHBondContact O-N 2.95Å; L161-G165 WeakPolarHBondContact CA-O 3.45Å; R163-G165 VanDerWaalsContact C-N 3.27Å; R163-G165 PolarHBondContact O-N 2.79Å; G165-E261 CarbonylContact C-O 3.6Å; G165-E261 WeakPolarHBondContact CA-O 3.18Å; G165-F262 VanDerWaalsContact CA-CD1 3.43Å
166	R	97.1	Very high	96.5	Very high	95 Å²	95	52.8 Å²	52.8	36%	0.358	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	170	173.1	58.6	-171.7	86.1	165.9	11.7	108.2	C160 M169 C260 E261	C160-R166 VanDerWaalsContact CB-C 3.42Å; R166-M169 HydrophobicContact CG-CE 3.98Å; R166-C260 CarbonylContact O-C 3.5Å; R166-C260 WeakPolarHBondContact O-CA 3.46Å; R166-E261 WeakPolarHBondContact CD-OE1 3.33Å; R166-E261 HydrophobicContact CG-CG 3.46Å; R166-E261 VanDerWaalsContact CG-CG 3.46Å; R166-E261 PolarHBondContact N-O 3.04Å; R166-E261 PolarHBondContact O-N 3.13Å
167	L	98.4	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	147.8	172	-75.6	169.6	0	0	0	110.2	Y153 A156 M169 W195 Y258	Y153-L167 HydrophobicContact CD2-CD1 4.38Å; Y153-L167 HydrophobicContact CE1-CD1 4.41Å; Y153-L167 HydrophobicContact CE2-CD1 4.09Å; A156-L167 HydrophobicContact CB-CD2 3.99Å; L167-M169 WeakPolarHBondContact O-CG 3.45Å; L167-M169 PolarHBondContact O-N 3.36Å; L167-W195 HydrophobicContact CD2-CB 4.24Å; L167-Y258 HydrophobicContact CD2-CD2 4.41Å
168	A	98.1	Very high	96.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.266	C	S	.	.			trans	-63.3	135.5	-176.5	0	0	0	0	0	112	Y144 P170 L179 L196 G197 V259 E261	Y144-A168 HydrophobicContact CD1-CB 3.79Å; Y144-A168 HydrophobicContact CE1-CB 3.84Å; A168-P170 WeakPolarHBondContact O-CD 3.49Å; A168-L179 HydrophobicContact CB-CD2 3.89Å; A168-L196 HydrophobicContact CB-CD2 4.06Å; A168-L196 WeakPolarHBondContact O-CD2 3.41Å; A168-G197 PolarHBondContact O-N 3.22Å; A168-V259 HydrophobicContact CB-CB 4.39Å; A168-V259 HydrophobicContact CB-CG1 3.57Å; A168-V259 HydrophobicContact CB-CG2 4.2Å; A168-V259 PolarHBondContact N-O 2.96Å; A168-E261 HydrophobicContact CB-CB 4.38Å
169	M	97.5	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.			trans	-128.5	74.4	-176	-68.6	-174.1	-62.1	0	0	109.7	K142 R166 L167 R171 G197 F209 D210 D211 E261	K142-M169 PolarHBondContact NZ-O 3Å; R166-M169 HydrophobicContact CG-CE 3.98Å; L167-M169 WeakPolarHBondContact O-CG 3.45Å; L167-M169 PolarHBondContact O-N 3.36Å; M169-R171 VanDerWaalsContact O-CD 3.3Å; M169-R171 WeakPolarHBondContact O-CD 3.19Å; M169-R171 WeakPolarHBondContact O-CG 3.44Å; M169-R171 PolarHBondContact O-N 3.22Å; M169-R171 VanDerWaalsContact O-N 3.12Å; M169-R171 PolarHBondContact O-NE 2.56Å; M169-G197 WeakPolarHBondContact CG-O 3.48Å; M169-F209 HydrophobicContact CB-CD1 3.44Å; M169-F209 VanDerWaalsContact CB-CD1 3.44Å; M169-F209 HydrophobicContact CB-CE1 3.78Å; M169-F209 HydrophobicContact CB-CG 4.25Å; M169-F209 HydrophobicContact CG-CB 4.34Å; M169-F209 HydrophobicContact CG-CD1 3.6Å; M169-F209 HydrophobicContact CG-CE1 4.35Å; M169-F209 HydrophobicContact CG-CG 4.32Å; M169-F209 HydrophobicContact SD-CB 3.52Å; M169-F209 VanDerWaalsContact SD-CB 3.52Å; M169-F209 HydrophobicContact SD-CD1 3.94Å; M169-F209 HydrophobicContact SD-CG 4.07Å; M169-D210 HydrophobicContact SD-CB 3.96Å; M169-D210 PolarHBondContact SD-N 2.88Å; M169-D210 VanDerWaalsContact SD-N 3.36Å; M169-D211 HydrophobicContact CE-CB 4.32Å; M169-E261 WeakPolarHBondContact CE-OE1 3.2Å; M169-E261 PolarHBondContact N-OE2 2.89Å
170	P	96.8	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.			trans	-60.8	114.5	178.9	25.6	-34.3	0	0	0	110.2	A168 E175 Q176 L179 L196 F209 W247	A168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-E175 HydrophobicContact CB-CB 4.22Å; P170-Q176 HydrophobicContact CB-CB 4.18Å; P170-L179 HydrophobicContact CB-CD2 4.25Å; P170-L179 HydrophobicContact CG-CD2 4.12Å; P170-L196 HydrophobicContact CG-CD1 4.36Å; P170-L196 HydrophobicContact CG-CD2 4.2Å; P170-F209 WeakPolarHBondContact O-CZ 3.47Å; P170-W247 HydrophobicContact CG-CZ2 3.82Å
171	R	95.5	Very high	96.4	Very high	63 Å²	63	51.5 Å²	51.5	24%	0.238	26%	0.257	C	S	.	.			trans	-89.6	-22.9	-171.8	-59.4	-53.2	-178.4	127.4	-5.5	114.1	M169 E175 F209 D211 T213	M169-R171 VanDerWaalsContact O-CD 3.3Å; M169-R171 WeakPolarHBondContact O-CD 3.19Å; M169-R171 WeakPolarHBondContact O-CG 3.44Å; M169-R171 PolarHBondContact O-N 3.22Å; M169-R171 VanDerWaalsContact O-N 3.12Å; M169-R171 PolarHBondContact O-NE 2.56Å; R171-E175 WeakPolarHBondContact CB-OE2 3.3Å; R171-E175 PolarHBondContact N-OE2 2.75Å; R171-F209 VanDerWaalsContact CD-CZ 3.41Å; R171-F209 VanDerWaalsContact CZ-CD2 3.43Å; R171-D211 IonicContact CZ-OD2 3.48Å; R171-D211 IonicContact NH1-OD2 3.16Å; R171-D211 IonicContact NH2-OD1 3.04Å; R171-D211 PolarHBondContact NH2-OD1 3.46Å; R171-D211 IonicContact NH2-OD2 2.65Å; R171-D211 PolarHBondContact NH2-OD2 2.98Å; R171-T213 PolarHBondContact NH1-OG1 2.84Å; R171-T213 PolarHBondContact NH2-OG1 2.99Å
172	D	96.1	Very high	96.5	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	24%	0.236	S	C	.	.	S	Bend	trans	-143.4	172.2	-178.1	67.4	46.3	0	0	0	110.9	K174 E175 Q176	D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.49Å; D172-K174 WeakPolarHBondContact OD1-CA 3.08Å; D172-K174 VanDerWaalsContact OD1-CB 3.31Å; D172-K174 WeakPolarHBondContact OD1-CB 3.31Å; D172-K174 PolarHBondContact OD1-N 2.85Å; D172-E175 PolarHBondContact O-N 2.79Å; D172-E175 PolarHBondContact OD1-N 2.91Å; D172-Q176 PolarHBondContact O-N 3.12Å
173	R	96.3	Very high	96.6	Very high	145 Å²	145	43.4 Å²	43.4	55%	0.547	22%	0.215	S	C	.	.	H	α-helix	trans	-58.4	-38.3	180	-176.6	172.3	62.3	79.5	1.6	112.7	Q176 E177 Y217	R173-Q176 PolarHBondContact O-N 3.48Å; R173-E177 WeakPolarHBondContact CD-OE1 3.45Å; R173-E177 HydrophobicContact CG-CG 4.2Å; R173-E177 WeakPolarHBondContact CG-OE1 3.41Å; R173-E177 IonicContact CZ-OE1 3.48Å; R173-E177 IonicContact NE-OE1 3.71Å; R173-E177 IonicContact NH1-OE1 2.63Å; R173-E177 PolarHBondContact NH1-OE1 3.46Å; R173-E177 IonicContact NH1-OE2 3.69Å; R173-E177 PolarHBondContact NH1-OE2 3.43Å; R173-E177 WeakPolarHBondContact O-CB 3.48Å; R173-E177 VanDerWaalsContact O-CG 3.27Å; R173-E177 WeakPolarHBondContact O-CG 3.05Å; R173-E177 PolarHBondContact O-N 3.28Å; R173-Y217 HydrophobicContact CB-CD2 4.3Å; R173-Y217 HydrophobicContact CB-CE2 3.59Å; R173-Y217 HydrophobicContact CG-CE2 4.19Å
174	K	95.9	Very high	96.8	Very high	150 Å²	150	43.9 Å²	43.9	65%	0.652	22%	0.22	S	C	*	.	H	α-helix	trans	-68.8	-41.4	-178	-177.4	-175.6	177.3	-176.5	0	110.5	D172 A178	D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.49Å; D172-K174 WeakPolarHBondContact OD1-CA 3.08Å; D172-K174 VanDerWaalsContact OD1-CB 3.31Å; D172-K174 WeakPolarHBondContact OD1-CB 3.31Å; D172-K174 PolarHBondContact OD1-N 2.85Å; K174-A178 WeakPolarHBondContact O-CB 3.36Å; K174-A178 PolarHBondContact O-N 3.42Å; K174-A178 VanDerWaalsContact O-N 3.13Å
175	E	96.4	Very high	97	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-45.7	173	-64.5	-167.1	160.5	0	0	111.5	L139 K142 P170 R171 D172 L179	L139-E175 HydrophobicContact CD2-CB 4Å; L139-E175 HydrophobicContact CD2-CG 3.75Å; K142-E175 WeakPolarHBondContact CE-OE1 3.08Å; K142-E175 VanDerWaalsContact NZ-CD 3.29Å; K142-E175 IonicContact NZ-OE1 3.85Å; K142-E175 PolarHBondContact NZ-OE1 3.2Å; K142-E175 IonicContact NZ-OE2 3.91Å; K142-E175 PolarHBondContact NZ-OE2 2.88Å; P170-E175 HydrophobicContact CB-CB 4.22Å; R171-E175 WeakPolarHBondContact CB-OE2 3.3Å; R171-E175 PolarHBondContact N-OE2 2.75Å; D172-E175 PolarHBondContact O-N 2.79Å; D172-E175 PolarHBondContact OD1-N 2.91Å; E175-L179 WeakPolarHBondContact O-CB 3.48Å; E175-L179 PolarHBondContact O-N 2.79Å
176	Q	97.4	Very high	97	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-47.3	178.1	178.6	59.1	22	0	0	112.5	P170 D172 R173 A178 L179 A180 Y217 Q219 G245 W247	P170-Q176 HydrophobicContact CB-CB 4.18Å; D172-Q176 PolarHBondContact O-N 3.12Å; R173-Q176 PolarHBondContact O-N 3.48Å; Q176-A178 PolarHBondContact O-N 3.22Å; Q176-L179 PolarHBondContact O-N 2.84Å; Q176-A180 VanDerWaalsContact O-CB 3.26Å; Q176-A180 WeakPolarHBondContact O-CB 3.26Å; Q176-A180 PolarHBondContact O-N 2.04Å; Q176-Y217 HydrophobicContact CB-CD1 4.45Å; Q176-Y217 HydrophobicContact CB-CE1 3.7Å; Q176-Y217 HydrophobicContact CG-CE1 3.97Å; Q176-Q219 HydrophobicContact CG-CB 3.9Å; Q176-Q219 HydrophobicContact CG-CG 3.82Å; Q176-G245 PolarHBondContact NE2-O 3.47Å; Q176-W247 VanDerWaalsContact OE1-NE1 3.14Å
177	E	97	Very high	97	Very high	99 Å²	99	46.1 Å²	46.1	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-44.3	-179.4	-75.8	170	-177	0	0	111.6	R173 A181	R173-E177 WeakPolarHBondContact CD-OE1 3.45Å; R173-E177 HydrophobicContact CG-CG 4.2Å; R173-E177 WeakPolarHBondContact CG-OE1 3.41Å; R173-E177 IonicContact CZ-OE1 3.48Å; R173-E177 IonicContact NE-OE1 3.71Å; R173-E177 IonicContact NH1-OE1 2.63Å; R173-E177 PolarHBondContact NH1-OE1 3.46Å; R173-E177 IonicContact NH1-OE2 3.69Å; R173-E177 PolarHBondContact NH1-OE2 3.43Å; R173-E177 WeakPolarHBondContact O-CB 3.48Å; R173-E177 VanDerWaalsContact O-CG 3.27Å; R173-E177 WeakPolarHBondContact O-CG 3.05Å; R173-E177 PolarHBondContact O-N 3.28Å; E177-A181 WeakPolarHBondContact O-CB 3.27Å; E177-A181 PolarHBondContact O-N 3.04Å
178	A	96.7	Very high	96.8	Very high	29 Å²	29	49.9 Å²	49.9	24%	0.24	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-42	177.5	0	0	0	0	0	112.1	L139 K174 Q176 Y182	L139-A178 HydrophobicContact CD1-CB 4.07Å; L139-A178 HydrophobicContact CD2-CB 3.95Å; K174-A178 WeakPolarHBondContact O-CB 3.36Å; K174-A178 PolarHBondContact O-N 3.42Å; K174-A178 VanDerWaalsContact O-N 3.13Å; Q176-A178 PolarHBondContact O-N 3.22Å; A178-Y182 PolarHBondContact O-N 2.96Å; A178-Y182 VanDerWaalsContact O-N 3.09Å
179	L	97.6	Very high	96.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-45.8	177.6	-177.8	59.2	0	0	0	111.4	Y144 A168 P170 E175 Q176 A181 Y182 V183 L196 M240 V259	Y144-L179 HydrophobicContact CD1-CD1 3.91Å; Y144-L179 HydrophobicContact CD2-CD1 4.39Å; Y144-L179 HydrophobicContact CE1-CD1 4.48Å; Y144-L179 HydrophobicContact CE1-CD2 4.5Å; Y144-L179 HydrophobicContact CG-CD1 3.86Å; A168-L179 HydrophobicContact CB-CD2 3.89Å; P170-L179 HydrophobicContact CB-CD2 4.25Å; P170-L179 HydrophobicContact CG-CD2 4.12Å; E175-L179 WeakPolarHBondContact O-CB 3.48Å; E175-L179 PolarHBondContact O-N 2.79Å; Q176-L179 PolarHBondContact O-N 2.84Å; L179-A181 PolarHBondContact O-N 2.89Å; L179-Y182 HydrophobicContact CD1-CD1 4.46Å; L179-Y182 PolarHBondContact O-N 2.82Å; L179-V183 HydrophobicContact CD1-CG2 4.2Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CB 3.24Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 3.23Å; L179-L196 HydrophobicContact CD2-CD2 4.01Å; L179-M240 HydrophobicContact CD1-CE 4.46Å; L179-M240 HydrophobicContact CD2-CE 3.41Å; L179-M240 VanDerWaalsContact CD2-CE 3.41Å; L179-M240 HydrophobicContact CG-CE 3.59Å; L179-M240 HydrophobicContact CG-SD 4.36Å; L179-V259 HydrophobicContact CD1-CG1 4.47Å; L179-V259 HydrophobicContact CD1-CG2 3.94Å
180	A	97.8	Very high	96.3	Very high	16 Å²	16	57.9 Å²	57.9	13%	0.132	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-44.2	177.1	0	0	0	0	0	111.8	Q176 Y182 V183 K184	Q176-A180 VanDerWaalsContact O-CB 3.26Å; Q176-A180 WeakPolarHBondContact O-CB 3.26Å; Q176-A180 PolarHBondContact O-N 2.04Å; A180-Y182 VanDerWaalsContact C-N 3.35Å; A180-Y182 PolarHBondContact O-N 3.32Å; A180-V183 PolarHBondContact O-N 3.46Å; A180-K184 VanDerWaalsContact O-CB 3.25Å; A180-K184 WeakPolarHBondContact O-CB 3.15Å; A180-K184 PolarHBondContact O-N 3.33Å
181	A	97.3	Very high	96.2	Very high	61 Å²	61	62.4 Å²	62.4	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.6	0	0	0	0	0	112.3	E177 L179 A185	E177-A181 WeakPolarHBondContact O-CB 3.27Å; E177-A181 PolarHBondContact O-N 3.04Å; L179-A181 PolarHBondContact O-N 2.89Å; A181-A185 WeakPolarHBondContact O-CB 3.29Å; A181-A185 PolarHBondContact O-N 3.17Å
182	Y	97.3	Very high	96.2	Very high	30 Å²	30	65.5 Å²	65.5	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-48	176.1	169.3	-125.3	0	0	0	112.1	G136 Q137 Y144 V146 A178 L179 A180 K184 A185 F186	G136-Y182 WeakPolarHBondContact CA-OH 3.44Å; Q137-Y182 HydrophobicContact CB-CD1 3.67Å; Q137-Y182 HydrophobicContact CB-CD2 3.78Å; Q137-Y182 HydrophobicContact CB-CE1 4.07Å; Q137-Y182 HydrophobicContact CB-CE2 4.19Å; Q137-Y182 HydrophobicContact CB-CG 3.52Å; Q137-Y182 HydrophobicContact CG-CG 4.24Å; Y144-Y182 WeakPolarHBondContact O-CE1 3.29Å; V146-Y182 HydrophobicContact CB-CE1 4.41Å; V146-Y182 HydrophobicContact CG2-CD1 4.16Å; V146-Y182 HydrophobicContact CG2-CE1 3.61Å; V146-Y182 PolarHBondContact N-OH 2.75Å; A178-Y182 PolarHBondContact O-N 2.96Å; A178-Y182 VanDerWaalsContact O-N 3.09Å; L179-Y182 HydrophobicContact CD1-CD1 4.46Å; L179-Y182 PolarHBondContact O-N 2.82Å; A180-Y182 VanDerWaalsContact C-N 3.35Å; A180-Y182 PolarHBondContact O-N 3.32Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; Y182-K184 PolarHBondContact O-N 2.86Å; Y182-A185 PolarHBondContact O-N 3.49Å; Y182-F186 PolarHBondContact O-N 3.46Å
183	V	97.9	Very high	96.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-41	178.7	173.1	0	0	0	0	111.2	V146 L179 A180 F186 F187 V194 M240	V146-V183 HydrophobicContact CG2-CG2 3.78Å; L179-V183 HydrophobicContact CD1-CG2 4.2Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CB 3.24Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 3.23Å; A180-V183 PolarHBondContact O-N 3.46Å; V183-F186 PolarHBondContact O-N 3.34Å; V183-F187 HydrophobicContact CG1-CD2 3.9Å; V183-F187 HydrophobicContact CG1-CE2 4.27Å; V183-F187 PolarHBondContact O-N 3.27Å; V183-F187 VanDerWaalsContact O-N 3.09Å; V183-V194 HydrophobicContact CG1-CB 4.45Å; V183-V194 HydrophobicContact CG1-CG2 3.72Å; V183-M240 HydrophobicContact CB-SD 4.09Å; V183-M240 HydrophobicContact CG1-SD 4.18Å; V183-M240 HydrophobicContact CG2-CE 4.38Å; V183-M240 HydrophobicContact CG2-SD 3.84Å
184	K	97.6	Very high	96.4	Very high	94 Å²	94	57.2 Å²	57.2	41%	0.409	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-48.6	174.4	-176	173.7	-170.1	131	0	112	A180 Y182 F186 F187 S188 S242 D243	A180-K184 VanDerWaalsContact O-CB 3.25Å; A180-K184 WeakPolarHBondContact O-CB 3.15Å; A180-K184 PolarHBondContact O-N 3.33Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; Y182-K184 PolarHBondContact O-N 2.86Å; K184-F186 VanDerWaalsContact C-N 3.27Å; K184-F186 PolarHBondContact O-N 2.86Å; K184-F187 PolarHBondContact O-N 2.91Å; K184-S188 WeakPolarHBondContact O-CB 3.46Å; K184-S188 PolarHBondContact O-N 3.01Å; K184-S242 WeakPolarHBondContact CA-O 3.23Å; K184-S242 WeakPolarHBondContact CB-O 3.43Å; K184-S242 WeakPolarHBondContact CG-O 3.24Å; K184-D243 WeakPolarHBondContact CD-O 3.43Å; K184-D243 PolarHBondContact NZ-O 2.85Å; K184-D243 IonicContact NZ-OD1 2.99Å; K184-D243 PolarHBondContact NZ-OD1 3.38Å
185	A	96.6	Very high	96.5	Very high	77 Å²	77	50.1 Å²	50.1	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-37.8	178.5	0	0	0	0	0	112.1	A181 Y182	A181-A185 WeakPolarHBondContact O-CB 3.29Å; A181-A185 PolarHBondContact O-N 3.17Å; Y182-A185 PolarHBondContact O-N 3.49Å
186	F	96.8	Very high	96.6	Very high	94 Å²	94	49.1 Å²	49.1	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-40.8	179.4	-174.7	-85.5	0	0	0	113.1	V146 N148 Y182 V183 K184	V146-F186 HydrophobicContact CB-CD1 4.17Å; V146-F186 HydrophobicContact CB-CD2 4.28Å; V146-F186 HydrophobicContact CB-CE1 4.36Å; V146-F186 HydrophobicContact CB-CE2 4.45Å; V146-F186 HydrophobicContact CB-CG 4.13Å; V146-F186 HydrophobicContact CB-CZ 4.5Å; V146-F186 HydrophobicContact CG1-CD1 3.53Å; V146-F186 HydrophobicContact CG1-CD2 4.47Å; V146-F186 HydrophobicContact CG1-CE1 3.61Å; V146-F186 HydrophobicContact CG1-CG 4Å; V146-F186 HydrophobicContact CG1-CZ 4.12Å; N148-F186 HydrophobicContact CB-CE1 4.1Å; N148-F186 HydrophobicContact CB-CZ 4.36Å; Y182-F186 PolarHBondContact O-N 3.46Å; V183-F186 PolarHBondContact O-N 3.34Å; K184-F186 VanDerWaalsContact C-N 3.27Å; K184-F186 PolarHBondContact O-N 2.86Å
187	F	96.8	Very high	96.7	Very high	16 Å²	16	49 Å²	49	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-97.7	-7.8	-174.7	-77.4	-62.5	0	0	0	114.8	V146 N148 V183 K184 G190 W192 V194 N257	V146-F187 HydrophobicContact CG1-CD2 4.4Å; V146-F187 HydrophobicContact CG1-CE2 3.39Å; V146-F187 HydrophobicContact CG1-CZ 3.59Å; N148-F187 HydrophobicContact CB-CE1 4.36Å; V183-F187 HydrophobicContact CG1-CD2 3.9Å; V183-F187 HydrophobicContact CG1-CE2 4.27Å; V183-F187 PolarHBondContact O-N 3.27Å; V183-F187 VanDerWaalsContact O-N 3.09Å; K184-F187 PolarHBondContact O-N 2.91Å; F187-G190 VanDerWaalsContact O-CA 3.31Å; F187-G190 WeakPolarHBondContact O-CA 3.28Å; F187-G190 PolarHBondContact O-N 3.47Å; F187-W192 HydrophobicContact CD1-CB 4.11Å; F187-W192 AromaticContact CD1-CD1 3.44Å; F187-W192 VanDerWaalsContact CD1-CD1 3.44Å; F187-W192 AromaticContact CD1-CG 3.9Å; F187-W192 HydrophobicContact CD1-CG 3.9Å; F187-W192 HydrophobicContact CD2-CB 4.48Å; F187-W192 HydrophobicContact CE1-CB 4.33Å; F187-W192 HydrophobicContact CE1-CG 4.28Å; F187-W192 HydrophobicContact CG-CB 4.19Å; F187-W192 AromaticContact CG-CD1 3.86Å; F187-W192 HydrophobicContact CG-CG 4.33Å; F187-V194 HydrophobicContact CD2-CG2 4.15Å; F187-V194 HydrophobicContact CE2-CG2 3.59Å; F187-V194 HydrophobicContact CZ-CG2 4.43Å; F187-N257 HydrophobicContact CE2-CB 4.43Å; F187-N257 HydrophobicContact CZ-CB 3.81Å
188	S	93.5	Very high	96.7	Very high	80 Å²	80	44.3 Å²	44.3	56%	0.559	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	137.3	-179.4	174.3	0	0	0	0	112.3	K184	K184-S188 WeakPolarHBondContact O-CB 3.46Å; K184-S188 PolarHBondContact O-N 3.01Å
189	P	93	Very high	96.8	Very high	136 Å²	136	43.8 Å²	43.8	88%	0.883	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.9	12.3	3.3	36.8	-36.7	0	0	0	114.3
190	G	92.2	Very high	96.8	Very high	31 Å²	31	43.8 Å²	43.8	32%	0.32	26%	0.258	S	S	.	.			trans	-76.5	162.3	180	0	0	0	0	0	113.7	F187 S242	F187-G190 VanDerWaalsContact O-CA 3.31Å; F187-G190 WeakPolarHBondContact O-CA 3.28Å; F187-G190 PolarHBondContact O-N 3.47Å; G190-S242 PolarHBondContact O-OG 3.35Å
191	N	94.3	Very high	96.8	Very high	96 Å²	96	47.8 Å²	47.8	51%	0.513	28%	0.277	S	S	.	.			trans	-116.1	113.8	169.1	-176.9	9.5	0	0	0	109.2	S241 S242 D243	N191-S241 PolarHBondContact OD1-OG 3.47Å; N191-S242 WeakPolarHBondContact CA-OG 3.35Å; N191-D243 HydrophobicContact CB-CB 4.25Å
192	W	96.3	Very high	96.7	Very high	127 Å²	127	55 Å²	55	48%	0.481	29%	0.291	S	S	.	.			trans	-128.9	135.9	-179.2	-63.4	95.4	0	0	0	110	F187 S242	F187-W192 HydrophobicContact CD1-CB 4.11Å; F187-W192 AromaticContact CD1-CD1 3.44Å; F187-W192 VanDerWaalsContact CD1-CD1 3.44Å; F187-W192 AromaticContact CD1-CG 3.9Å; F187-W192 HydrophobicContact CD1-CG 3.9Å; F187-W192 HydrophobicContact CD2-CB 4.48Å; F187-W192 HydrophobicContact CE1-CB 4.33Å; F187-W192 HydrophobicContact CE1-CG 4.28Å; F187-W192 HydrophobicContact CG-CB 4.19Å; F187-W192 AromaticContact CG-CD1 3.86Å; F187-W192 HydrophobicContact CG-CG 4.33Å; W192-S242 PolarHBondContact N-OG 3.02Å; W192-S242 WeakPolarHBondContact O-CB 3.36Å; W192-S242 PolarHBondContact O-N 2.98Å; W192-S242 PolarHBondContact O-OG 3.45Å
193	P	97.2	Very high	96.7	Very high	43 Å²	43	56.4 Å²	56.4	28%	0.279	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.4	171.2	33	-34.8	0	0	0	110.1	A239 M240 M256 N257	P193-A239 HydrophobicContact CB-CB 4.29Å; P193-M240 CarbonylContact C-O 3.43Å; P193-M240 WeakPolarHBondContact CA-O 3.34Å; P193-M256 HydrophobicContact CB-CE 4.36Å; P193-M256 HydrophobicContact CB-CG 4.48Å; P193-M256 HydrophobicContact CB-SD 3.55Å; P193-M256 VanDerWaalsContact CB-SD 3.55Å; P193-M256 HydrophobicContact CG-CB 4.31Å; P193-M256 HydrophobicContact CG-CE 4.21Å; P193-M256 HydrophobicContact CG-CG 4Å; P193-M256 HydrophobicContact CG-SD 3.62Å; P193-N257 PolarHBondContact O-N 2.73Å
194	V	98.5	Very high	96.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.9	-176.7	-171.9	0	0	0	0	109.7	V183 F187 L196 A239 M240 N257 Y258 V259	V183-V194 HydrophobicContact CG1-CB 4.45Å; V183-V194 HydrophobicContact CG1-CG2 3.72Å; F187-V194 HydrophobicContact CD2-CG2 4.15Å; F187-V194 HydrophobicContact CE2-CG2 3.59Å; F187-V194 HydrophobicContact CZ-CG2 4.43Å; V194-L196 PolarHBondContact O-N 2.92Å; V194-A239 CarbonylContact O-C 3.51Å; V194-A239 VanDerWaalsContact O-CA 3.23Å; V194-A239 WeakPolarHBondContact O-CA 3.39Å; V194-A239 WeakPolarHBondContact O-CB 3.4Å; V194-M240 HydrophobicContact CB-CG 4.17Å; V194-M240 PolarHBondContact N-O 3.02Å; V194-M240 PolarHBondContact O-N 3.26Å; V194-N257 CarbonylContact C-O 3.6Å; V194-N257 VanDerWaalsContact CA-O 3.3Å; V194-N257 WeakPolarHBondContact CA-O 3.39Å; V194-N257 HydrophobicContact CG2-CB 4.27Å; V194-Y258 VanDerWaalsContact CG1-C 3.46Å; V194-V259 HydrophobicContact CG1-CB 3.93Å; V194-V259 HydrophobicContact CG1-CG1 3.8Å
195	W	98.8	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	136.3	179	-71	129.8	0	0	0	112.5	A151 Y153 L167 C237 A239 H250 R254 M256 N257	A151-W195 PolarHBondContact O-NE1 2.03Å; Y153-W195 HydrophobicContact CD2-CD2 4.18Å; Y153-W195 AromaticContact CD2-CE3 3.92Å; Y153-W195 HydrophobicContact CD2-CE3 3.92Å; Y153-W195 HydrophobicContact CD2-CZ3 4.4Å; L167-W195 HydrophobicContact CD2-CB 4.24Å; W195-C237 HydrophobicContact CE3-CB 4.41Å; W195-C237 HydrophobicContact CH2-CB 4.13Å; W195-C237 HydrophobicContact CZ3-CB 3.73Å; W195-A239 HydrophobicContact CE3-CB 3.81Å; W195-A239 HydrophobicContact CZ3-CB 4.02Å; W195-H250 HydrophobicContact CH2-CB 3.67Å; W195-H250 HydrophobicContact CZ3-CB 3.93Å; W195-R254 HydrophobicContact CH2-CB 4.39Å; W195-R254 HydrophobicContact CZ2-CB 4.01Å; W195-R254 VanDerWaalsContact CZ2-O 3.24Å; W195-R254 WeakPolarHBondContact CZ2-O 3.27Å; W195-M256 HydrophobicContact CD2-CB 4.4Å; W195-M256 HydrophobicContact CD2-SD 4.29Å; W195-M256 HydrophobicContact CE3-SD 4.43Å; W195-M256 HydrophobicContact CG-CB 4.43Å; W195-M256 HydrophobicContact CH2-CE 4.13Å; W195-M256 HydrophobicContact CH2-SD 3.89Å; W195-M256 HydrophobicContact CZ2-CB 4.4Å; W195-M256 HydrophobicContact CZ2-CE 4.21Å; W195-M256 HydrophobicContact CZ2-CG 3.89Å; W195-M256 HydrophobicContact CZ2-SD 3.74Å; W195-M256 HydrophobicContact CZ3-SD 4.23Å; W195-N257 PolarHBondContact N-O 3.35Å
196	L	98.7	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	157.1	169.2	-74.5	177.6	0	0	0	109.8	Y153 A168 P170 L179 V194 I198 V238 M240 W247 V259	Y153-L196 WeakPolarHBondContact CE2-O 3.07Å; A168-L196 HydrophobicContact CB-CD2 4.06Å; A168-L196 WeakPolarHBondContact O-CD2 3.41Å; P170-L196 HydrophobicContact CG-CD1 4.36Å; P170-L196 HydrophobicContact CG-CD2 4.2Å; L179-L196 HydrophobicContact CD2-CD2 4.01Å; V194-L196 PolarHBondContact O-N 2.92Å; L196-I198 HydrophobicContact CB-CD1 4.32Å; L196-I198 HydrophobicContact CB-CG1 4.37Å; L196-I198 HydrophobicContact CD1-CD1 4.25Å; L196-I198 PolarHBondContact O-N 2.92Å; L196-V238 HydrophobicContact CD1-CG1 4.45Å; L196-V238 PolarHBondContact N-O 2.93Å; L196-M240 HydrophobicContact CD1-CB 4.14Å; L196-M240 HydrophobicContact CD1-CE 4.05Å; L196-M240 HydrophobicContact CD2-CE 3.21Å; L196-M240 HydrophobicContact CG-CE 3.79Å; L196-W247 HydrophobicContact CD1-CD2 4.24Å; L196-W247 HydrophobicContact CD1-CG 4.27Å; L196-W247 HydrophobicContact CD1-CZ2 4.32Å; L196-V259 HydrophobicContact CD2-CG1 4.25Å
197	G	98.4	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	50.7	175.8	0	0	0	0	0	111.8	A168 M169 F209 D210	A168-G197 PolarHBondContact O-N 3.22Å; M169-G197 WeakPolarHBondContact CG-O 3.48Å; G197-F209 CarbonylContact O-C 3.47Å; G197-F209 VanDerWaalsContact O-CA 3.29Å; G197-F209 WeakPolarHBondContact O-CA 3.46Å; G197-D210 PolarHBondContact O-N 3.38Å
198	I	98.6	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.6	-176.6	-57.9	169.6	0	0	0	109	Y153 L196 Y207 L208 F209 V215 V238 W247	Y153-I198 PolarHBondContact OH-N 2.81Å; L196-I198 HydrophobicContact CB-CD1 4.32Å; L196-I198 HydrophobicContact CB-CG1 4.37Å; L196-I198 HydrophobicContact CD1-CD1 4.25Å; L196-I198 PolarHBondContact O-N 2.92Å; I198-Y207 HydrophobicContact CG2-CD1 4.11Å; I198-L208 WeakPolarHBondContact CA-O 3.17Å; I198-F209 HydrophobicContact CD1-CD1 4.32Å; I198-F209 HydrophobicContact CD1-CE1 3.77Å; I198-F209 HydrophobicContact CG1-CD1 3.63Å; I198-F209 HydrophobicContact CG1-CE1 3.61Å; I198-V215 HydrophobicContact CG1-CG2 4.45Å; I198-V215 HydrophobicContact CG2-CG2 3.8Å; I198-V238 HydrophobicContact CB-CB 3.95Å; I198-V238 HydrophobicContact CB-CG2 4.06Å; I198-V238 HydrophobicContact CG2-CB 4.13Å; I198-V238 HydrophobicContact CG2-CG2 3.69Å; I198-V238 WeakPolarHBondContact O-CB 3.11Å; I198-V238 PolarHBondContact O-N 3.35Å; I198-W247 HydrophobicContact CD1-CE3 4.23Å; I198-W247 HydrophobicContact CD1-CH2 3.48Å; I198-W247 VanDerWaalsContact CD1-CH2 3.48Å; I198-W247 HydrophobicContact CD1-CZ2 3.88Å; I198-W247 HydrophobicContact CD1-CZ3 3.66Å
199	N	98.3	Very high	96.9	Very high	18 Å²	18	49.3 Å²	49.3	10%	0.096	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.2	179.2	66.1	87.8	0	0	0	111.8	Y153 L201 Y207 L208 D210 N236	Y153-N199 PolarHBondContact OH-ND2 2.83Å; N199-L201 HydrophobicContact CB-CD1 4.06Å; N199-L201 HydrophobicContact CB-CG 4.07Å; N199-L201 PolarHBondContact OD1-N 2.84Å; N199-Y207 WeakPolarHBondContact O-CA 3.14Å; N199-L208 PolarHBondContact N-O 3.13Å; N199-L208 PolarHBondContact O-N 2.72Å; N199-L208 VanDerWaalsContact O-O 3.12Å; N199-D210 PolarHBondContact ND2-OD1 3.34Å; N199-D210 VanDerWaalsContact ND2-OD1 3.13Å; N199-N236 CarbonylContact C-O 3.58Å; N199-N236 WeakPolarHBondContact CA-O 3.5Å; N199-N236 WeakPolarHBondContact CB-O 3.06Å
200	D	98.1	Very high	97.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.24	C	C	.	.			trans	-120.6	25.6	171	67.2	-31.5	0	0	0	112.5	R202 S203 G205 L206 Y207 N236	D200-R202 PolarHBondContact O-N 2.68Å; D200-S203 CarbonylContact O-C 3.53Å; D200-S203 PolarHBondContact O-N 2.96Å; D200-G205 PolarHBondContact OD2-N 2.7Å; D200-L206 WeakPolarHBondContact CA-O 3.12Å; D200-L206 VanDerWaalsContact CB-O 3.27Å; D200-L206 WeakPolarHBondContact CB-O 3.31Å; D200-Y207 HydrophobicContact CB-CD1 3.87Å; D200-Y207 HydrophobicContact CB-CE1 3.95Å; D200-Y207 HydrophobicContact CB-CG 4.17Å; D200-N236 PolarHBondContact N-O 3.25Å; D200-N236 WeakPolarHBondContact OD1-CA 2.99Å; D200-N236 WeakPolarHBondContact OD1-CB 3.16Å
201	L	96.8	Very high	97.3	Very high	100 Å²	100	47.3 Å²	47.3	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31	179.2	-72.9	166.4	0	0	0	114.4	N199 N236	N199-L201 HydrophobicContact CB-CD1 4.06Å; N199-L201 HydrophobicContact CB-CG 4.07Å; N199-L201 PolarHBondContact OD1-N 2.84Å; L201-N236 HydrophobicContact CD2-CB 3.73Å; L201-N236 HydrophobicContact CG-CB 4.07Å
202	R	95.9	Very high	97.4	Very high	211 Å²	211	45.1 Å²	45.1	80%	0.796	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-37.1	-179.9	178.7	-179.6	-84.9	-122.5	1.8	112.2	D200 L208	D200-R202 PolarHBondContact O-N 2.68Å; R202-L208 HydrophobicContact CB-CD1 4.45Å
203	S	96.6	Very high	97.4	Very high	61 Å²	61	41.8 Å²	41.8	43%	0.427	24%	0.237	S	C	.	.	S	Bend	trans	-163	120.3	-176.1	175.9	0	0	0	0	109.3	D200 G205 L206	D200-S203 CarbonylContact O-C 3.53Å; D200-S203 PolarHBondContact O-N 2.96Å; S203-G205 PolarHBondContact O-N 3.34Å; S203-L206 WeakPolarHBondContact O-CA 3.39Å; S203-L206 VanDerWaalsContact O-CB 3.28Å; S203-L206 WeakPolarHBondContact O-CB 3.24Å; S203-L206 PolarHBondContact O-N 3.3Å
204	E	97.2	Very high	97.4	Very high	79 Å²	79	48 Å²	48	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.2	127.2	175.1	-178.8	61.5	-164.1	0	0	113.2	L206 G232 K233	E204-L206 PolarHBondContact O-N 3.5Å; E204-G232 VanDerWaalsContact CD-C 3.46Å; E204-G232 WeakPolarHBondContact OE1-CA 3.01Å; E204-K233 HydrophobicContact CB-CG 4.23Å; E204-K233 HydrophobicContact CG-CG 4.03Å; E204-K233 PolarHBondContact OE1-N 2.9Å; E204-K233 WeakPolarHBondContact OE2-CA 3.23Å; E204-K233 WeakPolarHBondContact OE2-CG 3.35Å; E204-K233 PolarHBondContact OE2-N 2.84Å
205	G	95.1	Very high	97.4	Very high	54 Å²	54	48.3 Å²	48.3	56%	0.557	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-2.1	179.1	0	0	0	0	0	114.8	D200 S203	D200-G205 PolarHBondContact OD2-N 2.7Å; S203-G205 PolarHBondContact O-N 3.34Å
206	L	97.1	Very high	97.2	Very high	38 Å²	38	53 Å²	53	20%	0.199	29%	0.29	C	S	.	.			trans	-101.7	87.2	171.9	174	51.6	0	0	0	110.4	D200 S203 E204 L208 R214	D200-L206 WeakPolarHBondContact CA-O 3.12Å; D200-L206 VanDerWaalsContact CB-O 3.27Å; D200-L206 WeakPolarHBondContact CB-O 3.31Å; S203-L206 WeakPolarHBondContact O-CA 3.39Å; S203-L206 VanDerWaalsContact O-CB 3.28Å; S203-L206 WeakPolarHBondContact O-CB 3.24Å; S203-L206 PolarHBondContact O-N 3.3Å; E204-L206 PolarHBondContact O-N 3.5Å; L206-L208 HydrophobicContact CD1-CD2 4.04Å; L206-L208 HydrophobicContact CG-CD2 4.18Å; L206-L208 HydrophobicContact CG-CG 4.35Å; L206-L208 PolarHBondContact O-N 3.26Å; L206-R214 HydrophobicContact CD1-CG 4.41Å
207	Y	98.1	Very high	97.1	Very high	14 Å²	14	55.2 Å²	55.2	6%	0.055	30%	0.298	C	S	.	.			trans	-72.9	125.6	175.6	-65.6	-83.7	0	0	0	112.1	I198 N199 D200 V215 F218 W220 P229 V238	I198-Y207 HydrophobicContact CG2-CD1 4.11Å; N199-Y207 WeakPolarHBondContact O-CA 3.14Å; D200-Y207 HydrophobicContact CB-CD1 3.87Å; D200-Y207 HydrophobicContact CB-CE1 3.95Å; D200-Y207 HydrophobicContact CB-CG 4.17Å; Y207-V215 WeakPolarHBondContact O-CG2 3.37Å; Y207-V215 PolarHBondContact O-N 2.96Å; Y207-V215 VanDerWaalsContact O-N 3.11Å; Y207-F218 AromaticContact CD2-CE1 3.93Å; Y207-F218 HydrophobicContact CD2-CE1 3.93Å; Y207-F218 HydrophobicContact CG-CE1 4.08Å; Y207-W220 HydrophobicContact CD1-CH2 4.16Å; Y207-W220 AromaticContact CD1-CZ2 3.97Å; Y207-W220 HydrophobicContact CD1-CZ2 3.97Å; Y207-W220 AromaticContact CD2-CZ2 3.91Å; Y207-W220 HydrophobicContact CD2-CZ2 3.91Å; Y207-W220 AromaticContact CE1-CH2 3.58Å; Y207-W220 HydrophobicContact CE1-CH2 3.58Å; Y207-W220 AromaticContact CE1-CZ2 3.65Å; Y207-W220 HydrophobicContact CE1-CZ2 3.65Å; Y207-W220 HydrophobicContact CE2-CH2 4.26Å; Y207-W220 AromaticContact CE2-CZ2 3.57Å; Y207-W220 HydrophobicContact CE2-CZ2 3.57Å; Y207-W220 HydrophobicContact CG-CZ2 4.1Å; Y207-W220 AromaticContact CZ-CH2 3.64Å; Y207-W220 AromaticContact CZ-CZ2 3.44Å; Y207-W220 VanDerWaalsContact CZ-CZ2 3.44Å; Y207-P229 HydrophobicContact CE2-CG 4.24Å; Y207-P229 VanDerWaalsContact OH-CB 3.23Å; Y207-P229 WeakPolarHBondContact OH-CB 3.36Å; Y207-P229 WeakPolarHBondContact OH-CG 3.39Å; Y207-V238 HydrophobicContact CD1-CG2 3.93Å; Y207-V238 HydrophobicContact CE1-CG2 3.84Å
208	L	98.3	Very high	97	Very high	23 Å²	23	59.3 Å²	59.3	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.2	175.1	-58.4	-179.8	0	0	0	109.5	I198 N199 R202 L206 T213 R214	I198-L208 WeakPolarHBondContact CA-O 3.17Å; N199-L208 PolarHBondContact N-O 3.13Å; N199-L208 PolarHBondContact O-N 2.72Å; N199-L208 VanDerWaalsContact O-O 3.12Å; R202-L208 HydrophobicContact CB-CD1 4.45Å; L206-L208 HydrophobicContact CD1-CD2 4.04Å; L206-L208 HydrophobicContact CG-CD2 4.18Å; L206-L208 HydrophobicContact CG-CG 4.35Å; L206-L208 PolarHBondContact O-N 3.26Å; L208-T213 WeakPolarHBondContact CA-O 3.25Å; L208-R214 HydrophobicContact CD2-CB 4.23Å
209	F	98.3	Very high	96.9	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.013	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	156.9	162.8	-74.7	-61.2	0	0	0	110.3	M169 P170 R171 G197 I198 D211 G212 T213 V215	M169-F209 HydrophobicContact CB-CD1 3.44Å; M169-F209 VanDerWaalsContact CB-CD1 3.44Å; M169-F209 HydrophobicContact CB-CE1 3.78Å; M169-F209 HydrophobicContact CB-CG 4.25Å; M169-F209 HydrophobicContact CG-CB 4.34Å; M169-F209 HydrophobicContact CG-CD1 3.6Å; M169-F209 HydrophobicContact CG-CE1 4.35Å; M169-F209 HydrophobicContact CG-CG 4.32Å; M169-F209 HydrophobicContact SD-CB 3.52Å; M169-F209 VanDerWaalsContact SD-CB 3.52Å; M169-F209 HydrophobicContact SD-CD1 3.94Å; M169-F209 HydrophobicContact SD-CG 4.07Å; P170-F209 WeakPolarHBondContact O-CZ 3.47Å; R171-F209 VanDerWaalsContact CD-CZ 3.41Å; R171-F209 VanDerWaalsContact CZ-CD2 3.43Å; G197-F209 CarbonylContact O-C 3.47Å; G197-F209 VanDerWaalsContact O-CA 3.29Å; G197-F209 WeakPolarHBondContact O-CA 3.46Å; I198-F209 HydrophobicContact CD1-CD1 4.32Å; I198-F209 HydrophobicContact CD1-CE1 3.77Å; I198-F209 HydrophobicContact CG1-CD1 3.63Å; I198-F209 HydrophobicContact CG1-CE1 3.61Å; F209-D211 VanDerWaalsContact CB-OD1 3.27Å; F209-D211 WeakPolarHBondContact CB-OD1 3.09Å; F209-D211 PolarHBondContact O-N 3.49Å; F209-D211 VanDerWaalsContact O-N 3.09Å; F209-G212 WeakPolarHBondContact O-CA 3.37Å; F209-G212 PolarHBondContact O-N 2.83Å; F209-T213 WeakPolarHBondContact CD2-OG1 3.27Å; F209-T213 PolarHBondContact N-O 3.37Å; F209-V215 HydrophobicContact CD1-CG2 4.24Å; F209-V215 HydrophobicContact CD2-CG2 3.93Å; F209-V215 HydrophobicContact CE1-CG2 4.17Å; F209-V215 HydrophobicContact CE2-CB 4.2Å; F209-V215 HydrophobicContact CE2-CG1 4.44Å; F209-V215 HydrophobicContact CE2-CG2 3.87Å; F209-V215 HydrophobicContact CG-CG2 4.14Å; F209-V215 HydrophobicContact CZ-CB 4.42Å; F209-V215 HydrophobicContact CZ-CG1 4.25Å; F209-V215 HydrophobicContact CZ-CG2 3.98Å
210	D	96.8	Very high	96.9	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.283	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.9	178	-90.3	-1.5	0	0	0	113.5	Y153 S157 M169 G197 N199 G212	Y153-D210 PolarHBondContact OH-OD1 3.35Å; S157-D210 PolarHBondContact OG-OD2 2.95Å; M169-D210 HydrophobicContact SD-CB 3.96Å; M169-D210 PolarHBondContact SD-N 2.88Å; M169-D210 VanDerWaalsContact SD-N 3.36Å; G197-D210 PolarHBondContact O-N 3.38Å; N199-D210 PolarHBondContact ND2-OD1 3.34Å; N199-D210 VanDerWaalsContact ND2-OD1 3.13Å; D210-G212 PolarHBondContact O-N 2.94Å
211	D	95.1	Very high	96.8	Very high	72 Å²	72	64.3 Å²	64.3	39%	0.385	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.7	172.9	72.3	-5.3	0	0	0	114.2	M169 R171 F209 T213	M169-D211 HydrophobicContact CE-CB 4.32Å; R171-D211 IonicContact CZ-OD2 3.48Å; R171-D211 IonicContact NH1-OD2 3.16Å; R171-D211 IonicContact NH2-OD1 3.04Å; R171-D211 PolarHBondContact NH2-OD1 3.46Å; R171-D211 IonicContact NH2-OD2 2.65Å; R171-D211 PolarHBondContact NH2-OD2 2.98Å; F209-D211 VanDerWaalsContact CB-OD1 3.27Å; F209-D211 WeakPolarHBondContact CB-OD1 3.09Å; F209-D211 PolarHBondContact O-N 3.49Å; F209-D211 VanDerWaalsContact O-N 3.09Å; D211-T213 VanDerWaalsContact C-N 3.3Å; D211-T213 PolarHBondContact O-N 2.89Å; D211-T213 WeakPolarHBondContact OD1-CB 3.36Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.35Å; D211-T213 PolarHBondContact OD1-N 3.09Å; D211-T213 PolarHBondContact OD1-OG1 3.35Å
212	G	96.4	Very high	96.6	Very high	51 Å²	51	67.9 Å²	67.9	53%	0.526	35%	0.348	S	S	.	.	S	Bend	trans	83	-2.4	178.3	0	0	0	0	0	114.8	F209 D210	F209-G212 WeakPolarHBondContact O-CA 3.37Å; F209-G212 PolarHBondContact O-N 2.83Å; D210-G212 PolarHBondContact O-N 2.94Å
213	T	97.2	Very high	96.4	Very high	57 Å²	57	61.7 Å²	61.7	35%	0.35	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-76.2	149.7	176.9	61.2	0	0	0	0	111.2	R171 L208 F209 D211	R171-T213 PolarHBondContact NH1-OG1 2.84Å; R171-T213 PolarHBondContact NH2-OG1 2.99Å; L208-T213 WeakPolarHBondContact CA-O 3.25Å; F209-T213 WeakPolarHBondContact CD2-OG1 3.27Å; F209-T213 PolarHBondContact N-O 3.37Å; D211-T213 VanDerWaalsContact C-N 3.3Å; D211-T213 PolarHBondContact O-N 2.89Å; D211-T213 WeakPolarHBondContact OD1-CB 3.36Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.35Å; D211-T213 PolarHBondContact OD1-N 3.09Å; D211-T213 PolarHBondContact OD1-OG1 3.35Å
214	R	97.8	Very high	96	Very high	174 Å²	174	67.1 Å²	67.1	66%	0.657	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-73.3	138.3	-179.2	-178.4	179.9	-80.6	-104.1	4.5	111.1	L206 L208 S216	L206-R214 HydrophobicContact CD1-CG 4.41Å; L208-R214 HydrophobicContact CD2-CB 4.23Å; R214-S216 PolarHBondContact O-N 2.77Å
215	V	97.8	Very high	95.5	Very high	6 Å²	6	69.9 Å²	69.9	4%	0.036	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.6	125.3	172.1	-179.8	0	0	0	0	110.1	I198 Y207 F209 Y217 F218 W247	I198-V215 HydrophobicContact CG1-CG2 4.45Å; I198-V215 HydrophobicContact CG2-CG2 3.8Å; Y207-V215 WeakPolarHBondContact O-CG2 3.37Å; Y207-V215 PolarHBondContact O-N 2.96Å; Y207-V215 VanDerWaalsContact O-N 3.11Å; F209-V215 HydrophobicContact CD1-CG2 4.24Å; F209-V215 HydrophobicContact CD2-CG2 3.93Å; F209-V215 HydrophobicContact CE1-CG2 4.17Å; F209-V215 HydrophobicContact CE2-CB 4.2Å; F209-V215 HydrophobicContact CE2-CG1 4.44Å; F209-V215 HydrophobicContact CE2-CG2 3.87Å; F209-V215 HydrophobicContact CG-CG2 4.14Å; F209-V215 HydrophobicContact CZ-CB 4.42Å; F209-V215 HydrophobicContact CZ-CG1 4.25Å; F209-V215 HydrophobicContact CZ-CG2 3.98Å; V215-Y217 WeakPolarHBondContact CG1-O 3.18Å; V215-F218 HydrophobicContact CB-CE1 4.01Å; V215-F218 HydrophobicContact CB-CZ 3.85Å; V215-F218 HydrophobicContact CG1-CD1 3.92Å; V215-F218 HydrophobicContact CG1-CD2 4.44Å; V215-F218 HydrophobicContact CG1-CE1 3.55Å; V215-F218 HydrophobicContact CG1-CE2 4.08Å; V215-F218 HydrophobicContact CG1-CG 4.37Å; V215-F218 HydrophobicContact CG1-CZ 3.64Å; V215-W247 HydrophobicContact CG1-CZ3 4.26Å
216	S	94.6	Very high	95.2	Very high	99 Å²	99	68.7 Å²	68.7	69%	0.692	34%	0.343	S	S	*	.			trans	-106.2	-22.7	179.4	51.5	0	0	0	0	113.4	R214	R214-S216 PolarHBondContact O-N 2.77Å
217	Y	96	Very high	95.1	Very high	45 Å²	45	70.3 Å²	70.3	18%	0.176	36%	0.358	C	S	.	.			trans	-118.9	137.5	-179.8	175.5	-96.7	0	0	0	109.8	R173 Q176 V215 Q219 W247	R173-Y217 HydrophobicContact CB-CD2 4.3Å; R173-Y217 HydrophobicContact CB-CE2 3.59Å; R173-Y217 HydrophobicContact CG-CE2 4.19Å; Q176-Y217 HydrophobicContact CB-CD1 4.45Å; Q176-Y217 HydrophobicContact CB-CE1 3.7Å; Q176-Y217 HydrophobicContact CG-CE1 3.97Å; V215-Y217 WeakPolarHBondContact CG1-O 3.18Å; Y217-Q219 HydrophobicContact CE1-CB 3.96Å; Y217-Q219 PolarHBondContact OH-OE1 3.01Å; Y217-W247 HydrophobicContact CD1-CH2 4.26Å; Y217-W247 HydrophobicContact CD1-CZ2 4.39Å; Y217-W247 VanDerWaalsContact O-CH2 3.24Å; Y217-W247 WeakPolarHBondContact O-CH2 3.26Å; Y217-W247 WeakPolarHBondContact O-CZ3 3.45Å
218	F	96.8	Very high	95	Very high	87 Å²	87	70.1 Å²	70.1	38%	0.382	36%	0.358	S	S	.	.			trans	-131.3	126.4	-178.6	-66	-84.3	0	0	0	110.9	Y207 V215 W220 W247	Y207-F218 AromaticContact CD2-CE1 3.93Å; Y207-F218 HydrophobicContact CD2-CE1 3.93Å; Y207-F218 HydrophobicContact CG-CE1 4.08Å; V215-F218 HydrophobicContact CB-CE1 4.01Å; V215-F218 HydrophobicContact CB-CZ 3.85Å; V215-F218 HydrophobicContact CG1-CD1 3.92Å; V215-F218 HydrophobicContact CG1-CD2 4.44Å; V215-F218 HydrophobicContact CG1-CE1 3.55Å; V215-F218 HydrophobicContact CG1-CE2 4.08Å; V215-F218 HydrophobicContact CG1-CG 4.37Å; V215-F218 HydrophobicContact CG1-CZ 3.64Å; F218-W220 HydrophobicContact CB-CG 4.47Å; F218-W220 AromaticContact CD1-CD1 3.88Å; F218-W220 AromaticContact CD1-CE2 3.77Å; F218-W220 HydrophobicContact CD1-CZ2 4.15Å; F218-W220 AromaticContact CD1-NE1 3.13Å; F218-W220 HydrophobicContact CE1-CZ2 4.41Å; F218-W220 AromaticContact CE1-NE1 3.85Å; F218-W220 AromaticContact CG-NE1 3.74Å; F218-W247 HydrophobicContact CD1-CZ3 4.1Å
219	Q	97.1	Very high	94.9	Very high	53 Å²	53	71.7 Å²	71.7	25%	0.248	37%	0.369	C	S	.	.			trans	-108.5	41.1	173.2	-171.1	58.3	55.2	0	0	110.6	Q176 Y217 R221 D246 W247	Q176-Q219 HydrophobicContact CG-CB 3.9Å; Q176-Q219 HydrophobicContact CG-CG 3.82Å; Y217-Q219 HydrophobicContact CE1-CB 3.96Å; Y217-Q219 PolarHBondContact OH-OE1 3.01Å; Q219-R221 PolarHBondContact O-N 3.29Å; Q219-D246 PolarHBondContact NE2-OD1 3.26Å; Q219-W247 HydrophobicContact CB-CD2 3.94Å; Q219-W247 HydrophobicContact CB-CG 4.04Å; Q219-W247 HydrophobicContact CB-CZ2 4.18Å; Q219-W247 WeakPolarHBondContact O-CB 3.5Å; Q219-W247 PolarHBondContact O-N 3.2Å
220	W	97.4	Very high	94.7	Very high	28 Å²	28	76.6 Å²	76.6	11%	0.106	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-57.7	139.7	177.2	-66.8	125	0	0	0	111.7	Y207 F218 K222 Q228 P229 V238 W247 D249	Y207-W220 HydrophobicContact CD1-CH2 4.16Å; Y207-W220 AromaticContact CD1-CZ2 3.97Å; Y207-W220 HydrophobicContact CD1-CZ2 3.97Å; Y207-W220 AromaticContact CD2-CZ2 3.91Å; Y207-W220 HydrophobicContact CD2-CZ2 3.91Å; Y207-W220 AromaticContact CE1-CH2 3.58Å; Y207-W220 HydrophobicContact CE1-CH2 3.58Å; Y207-W220 AromaticContact CE1-CZ2 3.65Å; Y207-W220 HydrophobicContact CE1-CZ2 3.65Å; Y207-W220 HydrophobicContact CE2-CH2 4.26Å; Y207-W220 AromaticContact CE2-CZ2 3.57Å; Y207-W220 HydrophobicContact CE2-CZ2 3.57Å; Y207-W220 HydrophobicContact CG-CZ2 4.1Å; Y207-W220 AromaticContact CZ-CH2 3.64Å; Y207-W220 AromaticContact CZ-CZ2 3.44Å; Y207-W220 VanDerWaalsContact CZ-CZ2 3.44Å; F218-W220 HydrophobicContact CB-CG 4.47Å; F218-W220 AromaticContact CD1-CD1 3.88Å; F218-W220 AromaticContact CD1-CE2 3.77Å; F218-W220 HydrophobicContact CD1-CZ2 4.15Å; F218-W220 AromaticContact CD1-NE1 3.13Å; F218-W220 HydrophobicContact CE1-CZ2 4.41Å; F218-W220 AromaticContact CE1-NE1 3.85Å; F218-W220 AromaticContact CG-NE1 3.74Å; W220-K222 PolarHBondContact O-N 2.79Å; W220-Q228 HydrophobicContact CB-CB 4.43Å; W220-Q228 WeakPolarHBondContact CB-O 3.47Å; W220-Q228 HydrophobicContact CE3-CB 3.88Å; W220-P229 HydrophobicContact CH2-CB 4.21Å; W220-P229 HydrophobicContact CZ2-CB 4.42Å; W220-P229 HydrophobicContact CZ2-CG 4.25Å; W220-P229 HydrophobicContact CZ3-CB 4.27Å; W220-V238 HydrophobicContact CH2-CG1 4.15Å; W220-V238 HydrophobicContact CH2-CG2 3.57Å; W220-V238 HydrophobicContact CZ2-CG2 4.48Å; W220-V238 HydrophobicContact CZ3-CG1 4.07Å; W220-V238 HydrophobicContact CZ3-CG2 4.21Å; W220-W247 HydrophobicContact CD2-CB 4.39Å; W220-W247 HydrophobicContact CE3-CB 3.66Å; W220-W247 HydrophobicContact CZ3-CB 3.93Å; W220-D249 HydrophobicContact CH2-CB 4.45Å; W220-D249 HydrophobicContact CZ3-CB 4.36Å
221	R	96.1	Very high	94.5	Very high	43 Å²	43	74.3 Å²	74.3	16%	0.162	39%	0.385	C	S	.	.			trans	-56.5	126.4	170.6	-175.5	179.2	-167.9	85.2	1.5	110.7	Q219 H223 S227 Q228 D244 D246 W247 W248	Q219-R221 PolarHBondContact O-N 3.29Å; R221-H223 HydrophobicContact CG-CB 4.29Å; R221-S227 WeakPolarHBondContact O-CA 3.41Å; R221-Q228 HydrophobicContact CB-CB 4.21Å; R221-Q228 HydrophobicContact CB-CG 3.84Å; R221-Q228 PolarHBondContact O-N 2.77Å; R221-D244 IonicContact CZ-OD2 2.66Å; R221-D244 IonicContact NH1-OD2 2.63Å; R221-D244 PolarHBondContact NH1-OD2 3.03Å; R221-D244 IonicContact NH2-OD2 3.98Å; R221-D246 HydrophobicContact CB-CB 3.88Å; R221-D246 HydrophobicContact CG-CB 4.36Å; R221-W247 PolarHBondContact N-O 2.81Å; R221-W247 VanDerWaalsContact N-O 3.07Å; R221-W248 VanDerWaalsContact CD-CE2 3.45Å; R221-W248 HydrophobicContact CG-CZ2 4.38Å; R221-W248 VanDerWaalsContact NE-CZ2 3.33Å
222	K	93.5	Very high	94.4	Very high	175 Å²	175	72.2 Å²	72.2	76%	0.761	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	91.5	173	-68.6	178.1	-175.6	176.7	0	109.2	W220	W220-K222 PolarHBondContact O-N 2.79Å
223	H	91.1	Very high	94.3	Very high	80 Å²	80	78 Å²	78	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154	-179.4	-169.6	-101.3	0	0	0	110.9	R221 L225 S226	R221-H223 HydrophobicContact CG-CB 4.29Å; H223-L225 PolarHBondContact ND1-N 3.09Å; H223-L225 PolarHBondContact O-N 3.15Å; H223-S226 CarbonylContact C-O 3.46Å; H223-S226 WeakPolarHBondContact CA-O 3.47Å; H223-S226 WeakPolarHBondContact CB-O 3.14Å; H223-S226 PolarHBondContact N-O 3.5Å; H223-S226 CarbonylContact O-C 3.42Å; H223-S226 PolarHBondContact O-N 2.95Å; H223-S226 VanDerWaalsContact O-N 3.11Å
224	F	87.8	Confident	94.3	Very high	175 Å²	175	82.8 Å²	82.8	77%	0.768	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.7	-177.3	69.7	-91.4	0	0	0	114
225	L	86.7	Confident	94.3	Very high	137 Å²	137	75.4 Å²	75.4	72%	0.717	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-20.2	177	-63.2	174.5	0	0	0	114.1	H223	H223-L225 PolarHBondContact ND1-N 3.09Å; H223-L225 PolarHBondContact O-N 3.15Å
226	S	89.6	Confident	94.3	Very high	29 Å²	29	76.4 Å²	76.4	20%	0.203	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	135.1	-173.4	170	0	0	0	0	110.2	H223	H223-S226 CarbonylContact C-O 3.46Å; H223-S226 WeakPolarHBondContact CA-O 3.47Å; H223-S226 WeakPolarHBondContact CB-O 3.14Å; H223-S226 PolarHBondContact N-O 3.5Å; H223-S226 CarbonylContact O-C 3.42Å; H223-S226 PolarHBondContact O-N 2.95Å; H223-S226 VanDerWaalsContact O-N 3.11Å
227	S	94.1	Very high	94.5	Very high	73 Å²	73	71.7 Å²	71.7	51%	0.51	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.5	172.7	-172.9	0	0	0	0	108.4	R221	R221-S227 WeakPolarHBondContact O-CA 3.41Å
228	Q	96.1	Very high	94.6	Very high	9 Å²	9	69.5 Å²	69.5	4%	0.042	34%	0.339	C	S	.	.	S	Bend	trans	-119.7	155.6	176.3	-65	-73.3	-77.4	0	0	109.9	W220 R221 D230 W248 D249	W220-Q228 HydrophobicContact CB-CB 4.43Å; W220-Q228 WeakPolarHBondContact CB-O 3.47Å; W220-Q228 HydrophobicContact CE3-CB 3.88Å; R221-Q228 HydrophobicContact CB-CB 4.21Å; R221-Q228 HydrophobicContact CB-CG 3.84Å; R221-Q228 PolarHBondContact O-N 2.77Å; Q228-D230 PolarHBondContact NE2-OD1 3.46Å; Q228-D230 PolarHBondContact NE2-OD2 2.99Å; Q228-W248 HydrophobicContact CG-CB 4.46Å; Q228-W248 HydrophobicContact CG-CD2 3.85Å; Q228-W248 HydrophobicContact CG-CE3 3.58Å; Q228-W248 HydrophobicContact CG-CG 4.23Å; Q228-W248 HydrophobicContact CG-CZ3 4.12Å; Q228-W248 VanDerWaalsContact OE1-CA 3.25Å; Q228-W248 VanDerWaalsContact OE1-CE3 3.25Å; Q228-D249 PolarHBondContact OE1-OD1 2.84Å
229	P	96.1	Very high	94.7	Very high	57 Å²	57	65.4 Å²	65.4	37%	0.37	32%	0.321	S	S	.	.			cis	-75.7	150.1	-8.3	31.9	-33.9	0	0	0	112.8	Y207 W220 D249	Y207-P229 HydrophobicContact CE2-CG 4.24Å; Y207-P229 VanDerWaalsContact OH-CB 3.23Å; Y207-P229 WeakPolarHBondContact OH-CB 3.36Å; Y207-P229 WeakPolarHBondContact OH-CG 3.39Å; W220-P229 HydrophobicContact CH2-CB 4.21Å; W220-P229 HydrophobicContact CZ2-CB 4.42Å; W220-P229 HydrophobicContact CZ2-CG 4.25Å; W220-P229 HydrophobicContact CZ3-CB 4.27Å; P229-D249 WeakPolarHBondContact CA-OD1 3.03Å; P229-D249 HydrophobicContact CB-CB 3.9Å; P229-D249 WeakPolarHBondContact CB-OD1 3.02Å
230	D	94.6	Very high	94.7	Very high	105 Å²	105	62.9 Å²	62.9	56%	0.561	31%	0.309	S	S	*	.			trans	-134.5	-3.6	-179.2	72.9	-11.8	0	0	0	116.2	Q228 D249	Q228-D230 PolarHBondContact NE2-OD1 3.46Å; Q228-D230 PolarHBondContact NE2-OD2 2.99Å; D230-D249 PolarHBondContact N-OD1 3.01Å; D230-D249 PolarHBondContact N-OD2 2.89Å
231	G	91.8	Very high	94.7	Very high	6 Å²	6	62 Å²	62	6%	0.062	31%	0.307	C	S	.	.			trans	-87.5	-15.5	-175.8	0	0	0	0	0	115.3	E235 D249	G231-E235 WeakPolarHBondContact CA-OE2 3.34Å; G231-D249 WeakPolarHBondContact CA-OD2 3.41Å; G231-D249 PolarHBondContact N-OD2 3.38Å
232	G	94.3	Very high	94.8	Very high	27 Å²	27	60 Å²	60	28%	0.278	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	57.9	-143.3	-178.4	0	0	0	0	0	112.2	E204 R234 E235	E204-G232 VanDerWaalsContact CD-C 3.46Å; E204-G232 WeakPolarHBondContact OE1-CA 3.01Å; G232-R234 PolarHBondContact O-N 2.87Å; G232-E235 PolarHBondContact O-N 2.96Å
233	K	94.8	Very high	94.8	Very high	173 Å²	173	55.5 Å²	55.5	75%	0.752	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-54.9	-11.4	-179.4	-66.5	-174.1	178.2	-176.9	0	116.9	E204 N236	E204-K233 HydrophobicContact CB-CG 4.23Å; E204-K233 HydrophobicContact CG-CG 4.03Å; E204-K233 PolarHBondContact OE1-N 2.9Å; E204-K233 WeakPolarHBondContact OE2-CA 3.23Å; E204-K233 WeakPolarHBondContact OE2-CG 3.35Å; E204-K233 PolarHBondContact OE2-N 2.84Å; K233-N236 PolarHBondContact O-ND2 2.8Å
234	R	96.4	Very high	94.9	Very high	158 Å²	158	54.9 Å²	54.9	60%	0.596	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-90.3	-32.2	-179.4	-66.8	-177.9	-63.6	158.5	1	112.4	G232 Y251	G232-R234 PolarHBondContact O-N 2.87Å; R234-Y251 HydrophobicContact CB-CD1 4.33Å; R234-Y251 HydrophobicContact CB-CE1 3.63Å; R234-Y251 HydrophobicContact CG-CE1 4.39Å; R234-Y251 VanDerWaalsContact CZ-OH 3.3Å; R234-Y251 PolarHBondContact NH1-OH 2.82Å; R234-Y251 WeakPolarHBondContact O-CD1 3.43Å
235	E	97.5	Very high	95.3	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.084	25%	0.248	C	C	.	.			trans	-116.7	89.7	-171.9	-62.5	-163.2	111.6	0	0	109.3	G231 G232 D249 H250 Y251	G231-E235 WeakPolarHBondContact CA-OE2 3.34Å; G232-E235 PolarHBondContact O-N 2.96Å; E235-D249 HydrophobicContact CB-CB 4.18Å; E235-H250 CarbonylContact C-O 3.58Å; E235-H250 WeakPolarHBondContact CA-O 3.42Å; E235-H250 VanDerWaalsContact CB-C 3.45Å; E235-H250 WeakPolarHBondContact OE1-CA 3.43Å; E235-Y251 VanDerWaalsContact CD-CE2 3.47Å; E235-Y251 HydrophobicContact CG-CD1 4.43Å; E235-Y251 HydrophobicContact CG-CD2 3.59Å; E235-Y251 HydrophobicContact CG-CE1 4.46Å; E235-Y251 HydrophobicContact CG-CE2 3.56Å; E235-Y251 HydrophobicContact CG-CG 4.01Å; E235-Y251 WeakPolarHBondContact OE1-CD2 3.4Å; E235-Y251 WeakPolarHBondContact OE1-CE2 3.21Å; E235-Y251 PolarHBondContact OE1-N 2.92Å
236	N	98.3	Very high	95.8	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.144	22%	0.221	C	C	.	.			trans	-106	3.3	-169.2	-56.2	-86.6	0	0	0	113.8	N199 D200 L201 K233 H250	N199-N236 CarbonylContact C-O 3.58Å; N199-N236 WeakPolarHBondContact CA-O 3.5Å; N199-N236 WeakPolarHBondContact CB-O 3.06Å; D200-N236 PolarHBondContact N-O 3.25Å; D200-N236 WeakPolarHBondContact OD1-CA 2.99Å; D200-N236 WeakPolarHBondContact OD1-CB 3.16Å; L201-N236 HydrophobicContact CD2-CB 3.73Å; L201-N236 HydrophobicContact CG-CB 4.07Å; K233-N236 PolarHBondContact O-ND2 2.8Å; N236-H250 PolarHBondContact N-O 2.85Å
237	C	98.6	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.9	-173.8	-71.4	0	0	0	0	111.1	Y153 W195 H250 C252	Y153-C237 HydrophobicContact CD2-CB 3.52Å; Y153-C237 VanDerWaalsContact CD2-SG 3.52Å; Y153-C237 HydrophobicContact CE2-CB 4Å; Y153-C237 HydrophobicContact CG-CB 3.95Å; W195-C237 HydrophobicContact CE3-CB 4.41Å; W195-C237 HydrophobicContact CH2-CB 4.13Å; W195-C237 HydrophobicContact CZ3-CB 3.73Å; C237-H250 PolarHBondContact N-O 3.24Å; C237-H250 PolarHBondContact O-N 3.47Å; C237-C252 HydrophobicContact CB-CB 3.9Å; C237-C252 WeakPolarHBondContact CB-SG 3Å; C237-C252 WeakPolarHBondContact SG-CB 3.43Å; C237-C252 CovalentContact SG-SG 2.03Å; C237-C252 PolarHBondContact SG-SG 3.46Å
238	V	98.5	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133	-171.5	-176.3	0	0	0	0	111.8	L196 I198 Y207 W220 W247 W248	L196-V238 HydrophobicContact CD1-CG1 4.45Å; L196-V238 PolarHBondContact N-O 2.93Å; I198-V238 HydrophobicContact CB-CB 3.95Å; I198-V238 HydrophobicContact CB-CG2 4.06Å; I198-V238 HydrophobicContact CG2-CB 4.13Å; I198-V238 HydrophobicContact CG2-CG2 3.69Å; I198-V238 WeakPolarHBondContact O-CB 3.11Å; I198-V238 PolarHBondContact O-N 3.35Å; Y207-V238 HydrophobicContact CD1-CG2 3.93Å; Y207-V238 HydrophobicContact CE1-CG2 3.84Å; W220-V238 HydrophobicContact CH2-CG1 4.15Å; W220-V238 HydrophobicContact CH2-CG2 3.57Å; W220-V238 HydrophobicContact CZ2-CG2 4.48Å; W220-V238 HydrophobicContact CZ3-CG1 4.07Å; W220-V238 HydrophobicContact CZ3-CG2 4.21Å; V238-W247 HydrophobicContact CG1-CB 3.81Å; V238-W247 HydrophobicContact CG1-CD2 4.16Å; V238-W247 HydrophobicContact CG1-CE3 4.22Å; V238-W247 HydrophobicContact CG1-CG 4Å; V238-W248 WeakPolarHBondContact CA-O 3.31Å
239	A	98.4	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.2	168.5	0	0	0	0	0	110.6	P193 V194 W195 W247 W248 M256	P193-A239 HydrophobicContact CB-CB 4.29Å; V194-A239 CarbonylContact O-C 3.51Å; V194-A239 VanDerWaalsContact O-CA 3.23Å; V194-A239 WeakPolarHBondContact O-CA 3.39Å; V194-A239 WeakPolarHBondContact O-CB 3.4Å; W195-A239 HydrophobicContact CE3-CB 3.81Å; W195-A239 HydrophobicContact CZ3-CB 4.02Å; A239-W247 WeakPolarHBondContact O-CA 3.29Å; A239-W248 PolarHBondContact N-O 2.99Å; A239-W248 PolarHBondContact O-N 3.43Å; A239-M256 HydrophobicContact CB-SD 4.01Å
240	M	98.1	Very high	96.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	146.4	165.5	80.7	178.2	80.5	0	0	110.5	L179 V183 P193 V194 L196 D246 V259	L179-M240 HydrophobicContact CD1-CE 4.46Å; L179-M240 HydrophobicContact CD2-CE 3.41Å; L179-M240 VanDerWaalsContact CD2-CE 3.41Å; L179-M240 HydrophobicContact CG-CE 3.59Å; L179-M240 HydrophobicContact CG-SD 4.36Å; V183-M240 HydrophobicContact CB-SD 4.09Å; V183-M240 HydrophobicContact CG1-SD 4.18Å; V183-M240 HydrophobicContact CG2-CE 4.38Å; V183-M240 HydrophobicContact CG2-SD 3.84Å; P193-M240 CarbonylContact C-O 3.43Å; P193-M240 WeakPolarHBondContact CA-O 3.34Å; V194-M240 HydrophobicContact CB-CG 4.17Å; V194-M240 PolarHBondContact N-O 3.02Å; V194-M240 PolarHBondContact O-N 3.26Å; L196-M240 HydrophobicContact CD1-CB 4.14Å; L196-M240 HydrophobicContact CD1-CE 4.05Å; L196-M240 HydrophobicContact CD2-CE 3.21Å; L196-M240 HydrophobicContact CG-CE 3.79Å; M240-D246 CarbonylContact C-O 3.53Å; M240-D246 WeakPolarHBondContact CA-O 3.41Å; M240-V259 HydrophobicContact CE-CG1 4.18Å
241	S	97.1	Very high	96.7	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.4	164.7	169.7	0	0	0	0	110.4	N191 D243 D244 G245 D246	N191-S241 PolarHBondContact OD1-OG 3.47Å; S241-D243 PolarHBondContact O-N 3Å; S241-D243 PolarHBondContact OG-N 2.91Å; S241-D244 WeakPolarHBondContact CB-OD1 3.34Å; S241-G245 WeakPolarHBondContact O-CA 3.3Å; S241-G245 PolarHBondContact O-N 3.31Å; S241-D246 PolarHBondContact N-O 2.84Å
242	S	97	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.6	176.3	72	0	0	0	0	114.2	K184 G190 N191 W192	K184-S242 WeakPolarHBondContact CA-O 3.23Å; K184-S242 WeakPolarHBondContact CB-O 3.43Å; K184-S242 WeakPolarHBondContact CG-O 3.24Å; G190-S242 PolarHBondContact O-OG 3.35Å; N191-S242 WeakPolarHBondContact CA-OG 3.35Å; W192-S242 PolarHBondContact N-OG 3.02Å; W192-S242 WeakPolarHBondContact O-CB 3.36Å; W192-S242 PolarHBondContact O-N 2.98Å; W192-S242 PolarHBondContact O-OG 3.45Å
243	D	93.9	Very high	97.3	Very high	81 Å²	81	41.1 Å²	41.1	43%	0.433	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-57.1	-179.4	-176.9	25.9	0	0	0	112.2	K184 N191 S241	K184-D243 WeakPolarHBondContact CD-O 3.43Å; K184-D243 PolarHBondContact NZ-O 2.85Å; K184-D243 IonicContact NZ-OD1 2.99Å; K184-D243 PolarHBondContact NZ-OD1 3.38Å; N191-D243 HydrophobicContact CB-CB 4.25Å; S241-D243 PolarHBondContact O-N 3Å; S241-D243 PolarHBondContact OG-N 2.91Å
244	D	93.4	Very high	97.4	Very high	67 Å²	67	38.5 Å²	38.5	36%	0.358	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-13	-176.4	52.7	23.2	0	0	0	113.8	R221 S241 D246	R221-D244 IonicContact CZ-OD2 2.66Å; R221-D244 IonicContact NH1-OD2 2.63Å; R221-D244 PolarHBondContact NH1-OD2 3.03Å; R221-D244 IonicContact NH2-OD2 3.98Å; S241-D244 WeakPolarHBondContact CB-OD1 3.34Å; D244-D246 PolarHBondContact O-N 2.95Å; D244-D246 WeakPolarHBondContact OD1-CB 3.37Å; D244-D246 PolarHBondContact OD1-N 3.4Å
245	G	96.4	Very high	97.5	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.021	17%	0.174	C	C	.	.			trans	75.7	7.8	-176	0	0	0	0	0	113.7	Q176 S241	Q176-G245 PolarHBondContact NE2-O 3.47Å; S241-G245 WeakPolarHBondContact O-CA 3.3Å; S241-G245 PolarHBondContact O-N 3.31Å
246	D	97.3	Very high	97.5	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	17%	0.173	C	C	.	.			trans	-75.9	147.9	178.9	-78.3	-15.3	0	0	0	111.6	Q219 R221 M240 S241 D244	Q219-D246 PolarHBondContact NE2-OD1 3.26Å; R221-D246 HydrophobicContact CB-CB 3.88Å; R221-D246 HydrophobicContact CG-CB 4.36Å; M240-D246 CarbonylContact C-O 3.53Å; M240-D246 WeakPolarHBondContact CA-O 3.41Å; S241-D246 PolarHBondContact N-O 2.84Å; D244-D246 PolarHBondContact O-N 2.95Å; D244-D246 WeakPolarHBondContact OD1-CB 3.37Å; D244-D246 PolarHBondContact OD1-N 3.4Å
247	W	98	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.1	-179.5	-62.1	-0.3	0	0	0	111.6	P170 Q176 L196 I198 V215 Y217 F218 Q219 W220 R221 V238 A239	P170-W247 HydrophobicContact CG-CZ2 3.82Å; Q176-W247 VanDerWaalsContact OE1-NE1 3.14Å; L196-W247 HydrophobicContact CD1-CD2 4.24Å; L196-W247 HydrophobicContact CD1-CG 4.27Å; L196-W247 HydrophobicContact CD1-CZ2 4.32Å; I198-W247 HydrophobicContact CD1-CE3 4.23Å; I198-W247 HydrophobicContact CD1-CH2 3.48Å; I198-W247 VanDerWaalsContact CD1-CH2 3.48Å; I198-W247 HydrophobicContact CD1-CZ2 3.88Å; I198-W247 HydrophobicContact CD1-CZ3 3.66Å; V215-W247 HydrophobicContact CG1-CZ3 4.26Å; Y217-W247 HydrophobicContact CD1-CH2 4.26Å; Y217-W247 HydrophobicContact CD1-CZ2 4.39Å; Y217-W247 VanDerWaalsContact O-CH2 3.24Å; Y217-W247 WeakPolarHBondContact O-CH2 3.26Å; Y217-W247 WeakPolarHBondContact O-CZ3 3.45Å; F218-W247 HydrophobicContact CD1-CZ3 4.1Å; Q219-W247 HydrophobicContact CB-CD2 3.94Å; Q219-W247 HydrophobicContact CB-CG 4.04Å; Q219-W247 HydrophobicContact CB-CZ2 4.18Å; Q219-W247 WeakPolarHBondContact O-CB 3.5Å; Q219-W247 PolarHBondContact O-N 3.2Å; W220-W247 HydrophobicContact CD2-CB 4.39Å; W220-W247 HydrophobicContact CE3-CB 3.66Å; W220-W247 HydrophobicContact CZ3-CB 3.93Å; R221-W247 PolarHBondContact N-O 2.81Å; R221-W247 VanDerWaalsContact N-O 3.07Å; V238-W247 HydrophobicContact CG1-CB 3.81Å; V238-W247 HydrophobicContact CG1-CD2 4.16Å; V238-W247 HydrophobicContact CG1-CE3 4.22Å; V238-W247 HydrophobicContact CG1-CG 4Å; A239-W247 WeakPolarHBondContact O-CA 3.29Å
248	W	97.9	Very high	97.5	Very high	62 Å²	62	34.6 Å²	34.6	24%	0.235	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.1	176.4	-64.4	76.7	0	0	0	109.5	R221 Q228 V238 A239	R221-W248 VanDerWaalsContact CD-CE2 3.45Å; R221-W248 HydrophobicContact CG-CZ2 4.38Å; R221-W248 VanDerWaalsContact NE-CZ2 3.33Å; Q228-W248 HydrophobicContact CG-CB 4.46Å; Q228-W248 HydrophobicContact CG-CD2 3.85Å; Q228-W248 HydrophobicContact CG-CE3 3.58Å; Q228-W248 HydrophobicContact CG-CG 4.23Å; Q228-W248 HydrophobicContact CG-CZ3 4.12Å; Q228-W248 VanDerWaalsContact OE1-CA 3.25Å; Q228-W248 VanDerWaalsContact OE1-CE3 3.25Å; V238-W248 WeakPolarHBondContact CA-O 3.31Å; A239-W248 PolarHBondContact N-O 2.99Å; A239-W248 PolarHBondContact O-N 3.43Å
249	D	97.7	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.9	166.5	65.2	-46.7	0	0	0	109.5	W220 Q228 P229 D230 G231 E235	W220-D249 HydrophobicContact CH2-CB 4.45Å; W220-D249 HydrophobicContact CZ3-CB 4.36Å; Q228-D249 PolarHBondContact OE1-OD1 2.84Å; P229-D249 WeakPolarHBondContact CA-OD1 3.03Å; P229-D249 HydrophobicContact CB-CB 3.9Å; P229-D249 WeakPolarHBondContact CB-OD1 3.02Å; D230-D249 PolarHBondContact N-OD1 3.01Å; D230-D249 PolarHBondContact N-OD2 2.89Å; G231-D249 WeakPolarHBondContact CA-OD2 3.41Å; G231-D249 PolarHBondContact N-OD2 3.38Å; E235-D249 HydrophobicContact CB-CB 4.18Å
250	H	98.1	Very high	97.5	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.5	-176.6	-72.9	-34.9	0	0	0	111.5	W195 E235 N236 C237 C252 M256	W195-H250 HydrophobicContact CH2-CB 3.67Å; W195-H250 HydrophobicContact CZ3-CB 3.93Å; E235-H250 CarbonylContact C-O 3.58Å; E235-H250 WeakPolarHBondContact CA-O 3.42Å; E235-H250 VanDerWaalsContact CB-C 3.45Å; E235-H250 WeakPolarHBondContact OE1-CA 3.43Å; N236-H250 PolarHBondContact N-O 2.85Å; C237-H250 PolarHBondContact N-O 3.24Å; C237-H250 PolarHBondContact O-N 3.47Å; H250-C252 PolarHBondContact O-N 3.07Å; H250-M256 HydrophobicContact CB-CE 4.05Å; H250-M256 WeakPolarHBondContact CD2-CE 3.36Å
251	Y	98.4	Very high	97.5	Very high	70 Å²	70	35 Å²	35	28%	0.275	17%	0.17	S	C	.	.			trans	-56.1	126.4	163.4	-59.1	-99.6	0	0	0	109.3	R234 E235 D253 R254	R234-Y251 HydrophobicContact CB-CD1 4.33Å; R234-Y251 HydrophobicContact CB-CE1 3.63Å; R234-Y251 HydrophobicContact CG-CE1 4.39Å; R234-Y251 VanDerWaalsContact CZ-OH 3.3Å; R234-Y251 PolarHBondContact NH1-OH 2.82Å; R234-Y251 WeakPolarHBondContact O-CD1 3.43Å; E235-Y251 VanDerWaalsContact CD-CE2 3.47Å; E235-Y251 HydrophobicContact CG-CD1 4.43Å; E235-Y251 HydrophobicContact CG-CD2 3.59Å; E235-Y251 HydrophobicContact CG-CE1 4.46Å; E235-Y251 HydrophobicContact CG-CE2 3.56Å; E235-Y251 HydrophobicContact CG-CG 4.01Å; E235-Y251 WeakPolarHBondContact OE1-CD2 3.4Å; E235-Y251 WeakPolarHBondContact OE1-CE2 3.21Å; E235-Y251 PolarHBondContact OE1-N 2.92Å; Y251-D253 WeakPolarHBondContact CB-OD1 3.47Å; Y251-D253 PolarHBondContact O-N 2.69Å; Y251-D253 VanDerWaalsContact O-N 3.15Å; Y251-R254 WeakPolarHBondContact O-CB 3.25Å; Y251-R254 PolarHBondContact O-N 2.99Å; Y251-R254 VanDerWaalsContact O-N 3.09Å
252	C	98.4	Very high	97.4	Very high	31 Å²	31	34.9 Å²	34.9	21%	0.209	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.2	-175	-61.3	0	0	0	0	114	Y153 C237 H250 R254	Y153-C252 WeakPolarHBondContact CB-O 3.11Å; Y153-C252 PolarHBondContact N-O 3.45Å; C237-C252 HydrophobicContact CB-CB 3.9Å; C237-C252 WeakPolarHBondContact CB-SG 3Å; C237-C252 WeakPolarHBondContact SG-CB 3.43Å; C237-C252 CovalentContact SG-SG 2.03Å; C237-C252 PolarHBondContact SG-SG 3.46Å; H250-C252 PolarHBondContact O-N 3.07Å; C252-R254 VanDerWaalsContact C-N 3.32Å
253	D	98.3	Very high	97.2	Very high	114 Å²	114	36.6 Å²	36.6	61%	0.61	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.9	178.2	66.5	-12.3	0	0	0	113.3	Y251 I255	Y251-D253 WeakPolarHBondContact CB-OD1 3.47Å; Y251-D253 PolarHBondContact O-N 2.69Å; Y251-D253 VanDerWaalsContact O-N 3.15Å; D253-I255 WeakPolarHBondContact O-CD1 3.06Å; D253-I255 PolarHBondContact O-N 3.3Å
254	R	98.3	Very high	96.9	Very high	118 Å²	118	34 Å²	34	45%	0.445	16%	0.163	S	C	.	.			trans	-63	138.4	174.2	-74.8	-171.5	178.8	-145.3	10.5	110.7	D152 W195 Y251 C252 M256	D152-R254 WeakPolarHBondContact CA-O 3.14Å; W195-R254 HydrophobicContact CH2-CB 4.39Å; W195-R254 HydrophobicContact CZ2-CB 4.01Å; W195-R254 VanDerWaalsContact CZ2-O 3.24Å; W195-R254 WeakPolarHBondContact CZ2-O 3.27Å; Y251-R254 WeakPolarHBondContact O-CB 3.25Å; Y251-R254 PolarHBondContact O-N 2.99Å; Y251-R254 VanDerWaalsContact O-N 3.09Å; C252-R254 VanDerWaalsContact C-N 3.32Å; R254-M256 HydrophobicContact CB-CE 3.55Å; R254-M256 HydrophobicContact CB-CG 4.26Å; R254-M256 HydrophobicContact CG-CE 4.09Å
255	I	98.1	Very high	96.4	Very high	102 Å²	102	38.2 Å²	38.2	52%	0.523	17%	0.174	S	C	.	.			trans	-92.9	110.3	-179.6	-46.4	-57	0	0	0	108.5	L150 A151 D152 D253	L150-I255 VanDerWaalsContact C-CG2 3.42Å; L150-I255 HydrophobicContact CB-CB 4.47Å; L150-I255 HydrophobicContact CB-CG2 3.3Å; A151-I255 WeakPolarHBondContact O-CA 3.45Å; D152-I255 HydrophobicContact CB-CD1 3.9Å; D253-I255 WeakPolarHBondContact O-CD1 3.06Å; D253-I255 PolarHBondContact O-N 3.3Å
256	M	97.8	Very high	95.1	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	168.8	-175.3	-52.6	-172.5	176.4	0	0	111.8	L150 A151 P193 W195 A239 H250 R254	L150-M256 WeakPolarHBondContact CA-O 3.45Å; A151-M256 PolarHBondContact N-O 2.98Å; A151-M256 PolarHBondContact O-N 2.75Å; P193-M256 HydrophobicContact CB-CE 4.36Å; P193-M256 HydrophobicContact CB-CG 4.48Å; P193-M256 HydrophobicContact CB-SD 3.55Å; P193-M256 VanDerWaalsContact CB-SD 3.55Å; P193-M256 HydrophobicContact CG-CB 4.31Å; P193-M256 HydrophobicContact CG-CE 4.21Å; P193-M256 HydrophobicContact CG-CG 4Å; P193-M256 HydrophobicContact CG-SD 3.62Å; W195-M256 HydrophobicContact CD2-CB 4.4Å; W195-M256 HydrophobicContact CD2-SD 4.29Å; W195-M256 HydrophobicContact CE3-SD 4.43Å; W195-M256 HydrophobicContact CG-CB 4.43Å; W195-M256 HydrophobicContact CH2-CE 4.13Å; W195-M256 HydrophobicContact CH2-SD 3.89Å; W195-M256 HydrophobicContact CZ2-CB 4.4Å; W195-M256 HydrophobicContact CZ2-CE 4.21Å; W195-M256 HydrophobicContact CZ2-CG 3.89Å; W195-M256 HydrophobicContact CZ2-SD 3.74Å; W195-M256 HydrophobicContact CZ3-SD 4.23Å; A239-M256 HydrophobicContact CB-SD 4.01Å; H250-M256 HydrophobicContact CB-CE 4.05Å; H250-M256 WeakPolarHBondContact CD2-CE 3.36Å; R254-M256 HydrophobicContact CB-CE 3.55Å; R254-M256 HydrophobicContact CB-CG 4.26Å; R254-M256 HydrophobicContact CG-CE 4.09Å
257	N	98.3	Very high	93	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	165.5	168.2	-68.3	-48.5	0	0	0	110	N148 N149 L150 F187 P193 V194 W195	N148-N257 VanDerWaalsContact CA-OD1 3.31Å; N148-N257 WeakPolarHBondContact CA-OD1 3.44Å; N148-N257 PolarHBondContact OD1-OD1 3.32Å; N148-N257 VanDerWaalsContact OD1-OD1 3.09Å; N149-N257 PolarHBondContact N-OD1 3.4Å; L150-N257 WeakPolarHBondContact CD2-OD1 3.13Å; F187-N257 HydrophobicContact CE2-CB 4.43Å; F187-N257 HydrophobicContact CZ-CB 3.81Å; P193-N257 PolarHBondContact O-N 2.73Å; V194-N257 CarbonylContact C-O 3.6Å; V194-N257 VanDerWaalsContact CA-O 3.3Å; V194-N257 WeakPolarHBondContact CA-O 3.39Å; V194-N257 HydrophobicContact CG2-CB 4.27Å; W195-N257 PolarHBondContact N-O 3.35Å
258	Y	98.6	Very high	90.5	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.7	179.8	60.6	-87.4	0	0	0	111.2	Y147 N149 A151 A156 K159 L167 V194	Y147-Y258 VanDerWaalsContact CB-CZ 3.43Å; Y147-Y258 HydrophobicContact CD2-CD2 4.05Å; Y147-Y258 AromaticContact CD2-CE2 3.45Å; Y147-Y258 HydrophobicContact CD2-CE2 3.45Å; Y147-Y258 VanDerWaalsContact CD2-CE2 3.45Å; Y147-Y258 HydrophobicContact CE2-CE2 4.34Å; Y147-Y258 HydrophobicContact CG-CD2 4.43Å; Y147-Y258 AromaticContact CG-CE2 3.66Å; Y147-Y258 HydrophobicContact CG-CE2 3.66Å; Y147-Y258 AromaticContact CG-CZ 3.83Å; Y147-Y258 PolarHBondContact N-O 3.39Å; Y147-Y258 PolarHBondContact O-N 2.87Å; N149-Y258 HydrophobicContact CB-CE1 4.34Å; N149-Y258 WeakPolarHBondContact O-CD1 3.47Å; N149-Y258 WeakPolarHBondContact O-CE1 3.19Å; A151-Y258 HydrophobicContact CB-CD1 4.36Å; A151-Y258 HydrophobicContact CB-CE1 4.35Å; A156-Y258 HydrophobicContact CB-CD1 3.82Å; A156-Y258 HydrophobicContact CB-CD2 4.3Å; A156-Y258 HydrophobicContact CB-CG 3.68Å; K159-Y258 HydrophobicContact CB-CE2 4.22Å; K159-Y258 HydrophobicContact CD-CE1 4.03Å; K159-Y258 WeakPolarHBondContact CD-OH 3.3Å; L167-Y258 HydrophobicContact CD2-CD2 4.41Å; V194-Y258 VanDerWaalsContact CG1-C 3.46Å
259	V	98.4	Very high	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.8	174.6	56.1	0	0	0	0	109	L145 V146 A168 L179 V194 L196 M240	L145-V259 WeakPolarHBondContact O-CA 3.39Å; V146-V259 HydrophobicContact CG2-CB 4.19Å; V146-V259 HydrophobicContact CG2-CG2 4.04Å; A168-V259 HydrophobicContact CB-CB 4.39Å; A168-V259 HydrophobicContact CB-CG1 3.57Å; A168-V259 HydrophobicContact CB-CG2 4.2Å; A168-V259 PolarHBondContact N-O 2.96Å; L179-V259 HydrophobicContact CD1-CG1 4.47Å; L179-V259 HydrophobicContact CD1-CG2 3.94Å; V194-V259 HydrophobicContact CG1-CB 3.93Å; V194-V259 HydrophobicContact CG1-CG1 3.8Å; L196-V259 HydrophobicContact CD2-CG1 4.25Å; M240-V259 HydrophobicContact CE-CG1 4.18Å
260	C	98	Very high	89.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.9	174.3	-55.4	0	0	0	0	110	Y144 L145 Y147 C160 R166 F262	Y144-C260 CarbonylContact C-O 3.38Å; Y144-C260 VanDerWaalsContact CA-O 3.27Å; Y144-C260 WeakPolarHBondContact CA-O 3.41Å; L145-C260 PolarHBondContact N-O 3.09Å; L145-C260 PolarHBondContact O-N 2.98Å; Y147-C260 HydrophobicContact CD2-CB 4.49Å; Y147-C260 HydrophobicContact CE2-CB 4.07Å; Y147-C260 WeakPolarHBondContact CE2-SG 3.13Å; C160-C260 WeakPolarHBondContact CA-SG 3.38Å; C160-C260 HydrophobicContact CB-CB 3.77Å; C160-C260 WeakPolarHBondContact CB-SG 3.3Å; C160-C260 WeakPolarHBondContact SG-CA 3.44Å; C160-C260 WeakPolarHBondContact SG-CB 3.11Å; C160-C260 CovalentContact SG-SG 2.04Å; C160-C260 PolarHBondContact SG-SG 2.88Å; R166-C260 CarbonylContact O-C 3.5Å; R166-C260 WeakPolarHBondContact O-CA 3.46Å; C260-F262 HydrophobicContact CB-CE2 3.77Å; C260-F262 HydrophobicContact CB-CZ 3.82Å
261	E	97.3	Very high	89.2	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.9	163.4	70.7	178.1	-156.7	0	0	111.2	C143 Y144 G165 R166 A168 M169	C143-E261 CarbonylContact O-C 3.44Å; C143-E261 VanDerWaalsContact O-CA 3.26Å; C143-E261 WeakPolarHBondContact O-CA 3.42Å; Y144-E261 HydrophobicContact CD1-CB 3.6Å; Y144-E261 HydrophobicContact CE1-CB 3.51Å; G165-E261 CarbonylContact C-O 3.6Å; G165-E261 WeakPolarHBondContact CA-O 3.18Å; R166-E261 WeakPolarHBondContact CD-OE1 3.33Å; R166-E261 HydrophobicContact CG-CG 3.46Å; R166-E261 VanDerWaalsContact CG-CG 3.46Å; R166-E261 PolarHBondContact N-O 3.04Å; R166-E261 PolarHBondContact O-N 3.13Å; A168-E261 HydrophobicContact CB-CB 4.38Å; M169-E261 WeakPolarHBondContact CE-OE1 3.2Å; M169-E261 PolarHBondContact N-OE2 2.89Å
262	F	95.9	Very high	88.7	Confident	5 Å²	5	59.4 Å²	59.4	2%	0.022	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.8	177.3	-55.4	-88.9	0	0	0	109.2	R129 K142 C143 L145 R163 G165 C260	R129-F262 HydrophobicContact CG-CB 4.49Å; K142-F262 WeakPolarHBondContact CA-O 3.44Å; C143-F262 HydrophobicContact CB-CB 4.41Å; C143-F262 PolarHBondContact N-O 3.31Å; C143-F262 PolarHBondContact O-N 3.37Å; L145-F262 HydrophobicContact CB-CE2 3.98Å; R163-F262 HydrophobicContact CB-CE1 4.05Å; R163-F262 HydrophobicContact CB-CZ 4.38Å; R163-F262 WeakPolarHBondContact O-CE1 3.5Å; G165-F262 VanDerWaalsContact CA-CD1 3.43Å; C260-F262 HydrophobicContact CB-CE2 3.77Å; C260-F262 HydrophobicContact CB-CZ 3.82Å
263	D	92.3	Very high	88.1	Confident	37 Å²	37	61.1 Å²	61.1	20%	0.198	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.6	176.4	-167.7	-19.9	0	0	0	109.9	R265 V266	D263-R265 PolarHBondContact O-N 2.94Å; D263-R265 VanDerWaalsContact OD1-CB 3.29Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 IonicContact OD1-CZ 2.8Å; D263-R265 PolarHBondContact OD1-N 3.37Å; D263-R265 IonicContact OD1-NE 3.87Å; D263-R265 PolarHBondContact OD1-NE 3.07Å; D263-R265 VanDerWaalsContact OD1-NE 3.15Å; D263-R265 IonicContact OD1-NH2 3.97Å; D263-R265 IonicContact OD2-CZ 3.85Å; D263-R265 IonicContact OD2-NE 2.88Å; D263-R265 PolarHBondContact OD2-NE 2.63Å; D263-R265 IonicContact OD2-NH2 3.63Å; D263-R265 PolarHBondContact OD2-NH2 2.99Å; D263-V266 HydrophobicContact CB-CG2 3.84Å; D263-V266 PolarHBondContact O-N 2.79Å
264	D	87.8	Confident	87.4	Confident	26 Å²	26	57.6 Å²	57.6	14%	0.139	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-74.1	-12.5	-179.8	-162.6	45.6	0	0	0	112.9	R129 R138 Y141 V266	R129-D264 IonicContact CZ-OD1 3.72Å; R129-D264 IonicContact NH1-OD1 2.72Å; R129-D264 PolarHBondContact NH1-OD1 2.93Å; R138-D264 IonicContact CZ-OD2 3.17Å; R138-D264 IonicContact NE-OD2 3.26Å; R138-D264 IonicContact NH1-OD2 2.75Å; R138-D264 PolarHBondContact NH1-OD2 3.36Å; R138-D264 VanDerWaalsContact NH1-OD2 3.16Å; R138-D264 IonicContact NH2-OD2 3.54Å; R138-D264 PolarHBondContact NH2-OD2 3.49Å; Y141-D264 VanDerWaalsContact O-CB 3.22Å; Y141-D264 WeakPolarHBondContact O-CB 3.31Å; Y141-D264 PolarHBondContact O-N 3.09Å; D264-V266 VanDerWaalsContact C-N 3.29Å
265	R	83.9	Confident	86.6	Confident	156 Å²	156	53.3 Å²	53.3	59%	0.589	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-78.9	-14.5	175.6	-63.7	171.9	-61	175.3	5.1	113.1	Y141 D263 A267	Y141-R265 VanDerWaalsContact CD2-NE 3.34Å; Y141-R265 VanDerWaalsContact CE2-NH2 3.27Å; Y141-R265 HydrophobicContact CG-CG 4.32Å; D263-R265 PolarHBondContact O-N 2.94Å; D263-R265 VanDerWaalsContact OD1-CB 3.29Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 IonicContact OD1-CZ 2.8Å; D263-R265 PolarHBondContact OD1-N 3.37Å; D263-R265 IonicContact OD1-NE 3.87Å; D263-R265 PolarHBondContact OD1-NE 3.07Å; D263-R265 VanDerWaalsContact OD1-NE 3.15Å; D263-R265 IonicContact OD1-NH2 3.97Å; D263-R265 IonicContact OD2-CZ 3.85Å; D263-R265 IonicContact OD2-NE 2.88Å; D263-R265 PolarHBondContact OD2-NE 2.63Å; D263-R265 IonicContact OD2-NH2 3.63Å; D263-R265 PolarHBondContact OD2-NH2 2.99Å; R265-A267 PolarHBondContact O-N 3.11Å; R265-A267 VanDerWaalsContact O-N 3.14Å
266	V	67.6	Low	85.7	Confident	94 Å²	94	49.5 Å²	49.5	57%	0.57	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-82	19.9	-178.2	-170.8	0	0	0	0	111	D263 D264 L268	D263-V266 HydrophobicContact CB-CG2 3.84Å; D263-V266 PolarHBondContact O-N 2.79Å; D264-V266 VanDerWaalsContact C-N 3.29Å; V266-L268 PolarHBondContact O-N 3.34Å
267	A	54.4	Low	84.7	Confident	61 Å²	61	52.8 Å²	52.8	50%	0.504	28%	0.278	S	S	.	.			trans	-66.6	95.8	166.7	0	0	0	0	0	109.2	R265	R265-A267 PolarHBondContact O-N 3.11Å; R265-A267 VanDerWaalsContact O-N 3.14Å
268	L	44.3	Very low	83.5	Confident	236 Å²	236	57.5 Å²	57.5	100%	1.236	30%	0.303	S	S	*	.			trans	-134	0	171.4	-76.5	173.1	0	0	0	109.1	V266	V266-L268 PolarHBondContact O-N 3.34Å

Retrieved 268 of 268 residues in 588 ms (Link to these results)

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