A0A2K5M7D0_CERAT Loading...

Serine/threonine-protein kinase 32C

AlphaFold DB , UniProt , Accession A0A2K5M7D0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene STK32C, Length 485 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	32.7	Very low	237 Å²	237	152 Å²	152	100%	1.167	85%	0.854	S	S	*	*				0	123.3	0	-88.3	177.6	160.6	0	0	108.9
2	R	31.7	Very low	32.5	Very low	236 Å²	236	147.2 Å²	147.2	89%	0.891	85%	0.848	S	S	*	*			trans	57.6	110.9	154.2	-62.8	179.9	178.6	-125.7	-0.8	118.1
3	S	33.6	Very low	32.6	Very low	125 Å²	125	144.1 Å²	144.1	87%	0.874	85%	0.85	S	S	*	*				72.2	123.1	68.9	172.9	0	0	0	0	113.2
4	G	30.2	Very low	32.8	Very low	75 Å²	75	140.6 Å²	140.6	77%	0.773	85%	0.846	S	S	*	*			trans	167.1	76.8	162.6	0	0	0	0	0	114.7
5	A	36.3	Very low	33.5	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	84%	0.842	S	S	*	*			trans	-90.9	166.9	153.8	0	0	0	0	0	109.5
6	E	35.3	Very low	34.3	Very low	153 Å²	153	138.9 Å²	138.9	72%	0.715	84%	0.843	S	S	*	*			trans	124.9	140.5	167.2	-70.7	-169.8	135.4	0	0	111.7
7	R	34.4	Very low	34.2	Very low	183 Å²	183	135.1 Å²	135.1	69%	0.691	84%	0.839	S	S	*	*			cis	-169	146.1	-5.8	-111.9	178.9	-153.9	-139.4	8	108.7
8	R	34.1	Very low	34.5	Very low	231 Å²	231	134.4 Å²	134.4	87%	0.872	84%	0.84	S	S	*	*			trans	44.8	131.9	136.2	-64.7	180	-179	-134.9	-2.4	122.6
9	G	29.3	Very low	34.9	Very low	82 Å²	82	133.7 Å²	133.7	85%	0.845	84%	0.837	S	S	*	*			trans	-170.2	119.4	147.3	0	0	0	0	0	112.3
10	S	30.3	Very low	35.5	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	84%	0.835	S	S	*	*			trans	-91.7	153.5	-171	-48.7	0	0	0	0	113.7
11	S	30.7	Very low	36.1	Very low	131 Å²	131	133.1 Å²	133.1	92%	0.916	84%	0.836	S	S	*	*			trans	175.7	159.2	130.5	-164.8	0	0	0	0	112.4
12	A	30.8	Very low	36	Very low	94 Å²	94	125.3 Å²	125.3	78%	0.777	82%	0.817	S	S	*	*			trans	-82.2	160	-158.4	0	0	0	0	0	117.8
13	A	32.8	Very low	36	Very low	107 Å²	107	125.9 Å²	125.9	88%	0.884	82%	0.819	S	S	*	*			trans	-172.5	146.4	131.7	0	0	0	0	0	111.7
14	A	36.6	Very low	35.8	Very low	96 Å²	96	124.6 Å²	124.6	79%	0.793	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-82.8	171.9	-162.9	0	0	0	0	0	116.3
15	P	43.1	Very low	36	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-98.7	164	178.2	38.5	-30.5	0	0	0	113
16	P	45.2	Very low	35.9	Very low	132 Å²	132	134.1 Å²	134.1	86%	0.857	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-102.2	144	154.4	35.2	-24.5	0	0	0	108.9
17	G	32.9	Very low	35.7	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	83%	0.832	S	S	*	*			cis	137.9	113.1	21.8	0	0	0	0	0	106.4
18	S	39.1	Very low	35.3	Very low	122 Å²	122	126.3 Å²	126.3	85%	0.853	83%	0.833	S	S	*	*			trans	-82.2	159.8	175.3	-41.8	0	0	0	0	111.7
19	P	43.7	Very low	35	Very low	121 Å²	121	120.8 Å²	120.8	79%	0.786	83%	0.83	S	S	*	*			trans	-141.4	-179.2	139.6	43.8	-29.1	0	0	0	112.2
20	P	46	Very low	35	Very low	121 Å²	121	126 Å²	126	79%	0.786	83%	0.833	S	S	*	*				-127.7	-178.3	-87.9	33.1	-11.9	0	0	0	114.1
21	P	47.5	Very low	35.1	Very low	134 Å²	134	124.5 Å²	124.5	87%	0.87	83%	0.828	S	S	*	*			trans	-113	160.8	178	38.5	-27.6	0	0	0	115.6
22	G	32	Very low	35.2	Very low	74 Å²	74	124.6 Å²	124.6	76%	0.763	83%	0.825	S	S	*	*			trans	141	145.3	166.9	0	0	0	0	0	111.9
23	R	31.4	Very low	35.1	Very low	247 Å²	247	125.9 Å²	125.9	93%	0.932	83%	0.828	S	S	*	*			cis	-169.9	149.6	10.6	-116.1	179.8	177.9	-167.7	-0.1	109
24	A	30.6	Very low	35	Very low	99 Å²	99	125.4 Å²	125.4	82%	0.818	83%	0.825	S	S	*	*			trans	59.9	141.2	138.2	0	0	0	0	0	124.3
25	R	32.9	Very low	34.7	Very low	234 Å²	234	129.4 Å²	129.4	88%	0.883	83%	0.832	S	S	*	*			trans	-63.5	173.8	178.5	-66.3	175.7	160.3	-176.4	-6.3	115.3
26	P	35.1	Very low	34.3	Very low	135 Å²	135	132 Å²	132	88%	0.877	83%	0.833	S	S	*	*				-135.8	174.7	98.2	36.2	-22.4	0	0	0	115.3
27	A	30.1	Very low	33.7	Very low	102 Å²	102	131.2 Å²	131.2	84%	0.843	83%	0.828	S	S	*	*			trans	-93.5	160.9	-170	0	0	0	0	0	114.3
28	G	27.1	Very low	33.8	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	83%	0.832	S	S	*	*			trans	169.4	113.7	162.7	0	0	0	0	0	113.8
29	S	27.1	Very low	33.4	Very low	116 Å²	116	133 Å²	133	81%	0.811	83%	0.832	S	S	*	*			trans	17.2	134.6	151.5	58.3	0	0	0	0	119.7
30	E	29.3	Very low	32.8	Very low	191 Å²	191	132.3 Å²	132.3	89%	0.893	84%	0.836	S	S	*	*				-161.1	155.2	57.4	-75.4	179.4	132.2	0	0	111.4
31	A	32.8	Very low	31.9	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	84%	0.837	S	S	*	*			trans	-94.7	166.7	177.5	0	0	0	0	0	112.5
32	P	33.8	Very low	31.1	Very low	134 Å²	134	132.9 Å²	132.9	87%	0.87	84%	0.838	S	S	*	*			trans	-131.1	137.1	132.4	29.7	-14.6	0	0	0	114.9
33	S	28.8	Very low	31	Very low	120 Å²	120	135.5 Å²	135.5	84%	0.839	84%	0.841	S	S	*	*			trans	-9.8	132.1	167.8	-84	0	0	0	0	122
34	A	30.2	Very low	30.8	Very low	97 Å²	97	135.6 Å²	135.6	80%	0.802	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-74.7	142.3	154.7	0	0	0	0	0	111.9
35	L	30.4	Very low	31	Very low	180 Å²	180	135.4 Å²	135.4	94%	0.942	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-99	117.5	166.8	-87.2	155.3	0	0	0	109.2
36	Q	33.8	Very low	30.8	Very low	176 Å²	176	136 Å²	136	82%	0.822	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.6	156.8	170.7	-84.1	178.2	-3.9	0	0	111.7
37	P	33.8	Very low	30.5	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-82.2	149.3	175.9	34.9	-32.1	0	0	0	110.8
38	P	33.3	Very low	30.9	Very low	131 Å²	131	136.7 Å²	136.7	85%	0.851	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-81.2	150	173.5	32.3	-30.5	0	0	0	112
39	A	31	Very low	31.5	Very low	103 Å²	103	137.2 Å²	137.2	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75	164.7	-169.5	0	0	0	0	0	115.5
40	A	31.8	Very low	31.5	Very low	106 Å²	106	139.4 Å²	139.4	88%	0.876	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-57.5	134.9	178.4	0	0	0	0	0	114.8
41	G	27.8	Very low	31.8	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	84%	0.836	S	S	*	*			trans	-106.4	127.6	157.3	0	0	0	0	0	110.1
42	Q	29.8	Very low	31.8	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	84%	0.842	S	S	*	*			trans	-65.7	159	175.8	-78.2	179	6.5	0	0	113.2
43	P	29.9	Very low	31.8	Very low	129 Å²	129	141.5 Å²	141.5	84%	0.838	84%	0.838	S	S	*	*			trans	-85.5	139	-166.2	34	-32.4	0	0	0	112.6
44	R	26.7	Very low	32	Very low	248 Å²	248	143.8 Å²	143.8	94%	0.936	84%	0.835	S	S	*	*			trans	-113.2	129.4	159.4	-92.4	-174.8	168.8	-175.2	-2.4	109.1
45	A	36.4	Very low	32.3	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	84%	0.836	S	S	*	*			trans	-63	141.4	-179.8	0	0	0	0	0	113.5
46	R	28.3	Very low	32.5	Very low	245 Å²	245	147.8 Å²	147.8	93%	0.925	83%	0.833	S	S	*	*			trans	-179	98.3	148.3	-98.2	165.5	-170.7	-162.7	1.9	106.2
47	D	27.7	Very low	32.7	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	83%	0.825	S	S	*	*				80.3	112	90.6	-154.7	14	0	0	0	113
48	S	39	Very low	33.2	Very low	106 Å²	106	147 Å²	147	74%	0.741	83%	0.833	S	S	*	*			trans	27.1	124.8	158.8	44.9	0	0	0	0	122
49	G	39.5	Very low	33.9	Very low	79 Å²	79	147 Å²	147	81%	0.814	82%	0.82	S	S	*	*			trans	121.6	81.4	145.6	0	0	0	0	0	114.8
50	D	28.5	Very low	34.6	Very low	162 Å²	162	144.2 Å²	144.2	87%	0.866	79%	0.793	S	S	*	*			trans	-147.1	123.3	147.4	-145.4	-11.5	0	0	0	112.5	R52	D50-R52 PolarHBondContact O-N 3.33Å
51	V	35.1	Very low	35	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	77%	0.772	S	S	*	*			trans	-77.6	110.9	-178.4	171.8	0	0	0	0	106.5	A53	V51-A53 PolarHBondContact O-N 3.28Å
52	R	32.2	Very low	35.9	Very low	237 Å²	237	145.1 Å²	145.1	89%	0.894	76%	0.763	S	S	*	*			trans	-58	100.6	172.5	-162.4	175	-171.3	-173.2	2	108.5	D50 Q54	D50-R52 PolarHBondContact O-N 3.33Å; R52-Q54 PolarHBondContact O-N 3.29Å
53	A	33.8	Very low	36.7	Very low	94 Å²	94	142.8 Å²	142.8	78%	0.777	75%	0.749	S	S	*	*			trans	-59.8	106	178.4	0	0	0	0	0	109.2	V51	V51-A53 PolarHBondContact O-N 3.28Å
54	Q	33.5	Very low	37.5	Very low	169 Å²	169	140.6 Å²	140.6	79%	0.79	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.8	167.3	-66.9	-160.1	-0.1	0	0	109.4	R52 R56	R52-Q54 PolarHBondContact O-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.29Å
55	P	35.7	Very low	38.1	Very low	125 Å²	125	136.8 Å²	136.8	81%	0.812	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-59.6	123.3	172.5	25	-31.1	0	0	0	108.8
56	R	35.7	Very low	38.4	Very low	236 Å²	236	140.2 Å²	140.2	89%	0.891	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.7	136.1	-179.2	-68.3	-178.8	176.7	-165.5	-0.9	109.4	Q54 L58	Q54-R56 PolarHBondContact O-N 3.29Å; R56-L58 PolarHBondContact O-N 2.83Å
57	P	37.2	Very low	39.1	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-61	131.9	177.6	23.8	-31.7	0	0	0	109.7	F59	P57-F59 PolarHBondContact O-N 3.09Å; P57-F59 VanDerWaalsContact O-N 3.17Å
58	L	44.7	Very low	39.7	Very low	173 Å²	173	133.6 Å²	133.6	91%	0.906	68%	0.681	S	S	*	*	S	Bend	trans	-58.6	-27.5	179	-84.2	159.6	0	0	0	111.9	R56	R56-L58 PolarHBondContact O-N 2.83Å
59	F	46.8	Very low	39.7	Very low	132 Å²	132	131.5 Å²	131.5	58%	0.579	68%	0.676	S	S	*	*			trans	-156.4	122.5	177.1	-100.1	-89.3	0	0	0	113.6	P57 W64	P57-F59 PolarHBondContact O-N 3.09Å; P57-F59 VanDerWaalsContact O-N 3.17Å; F59-W64 AromaticContact CD1-CD1 3.68Å; F59-W64 AromaticContact CD1-NE1 3.53Å; F59-W64 AromaticContact CE1-NE1 3.66Å
60	P	46.8	Very low	39.6	Very low	45 Å²	45	132.7 Å²	132.7	29%	0.292	67%	0.672	S	S	.	*			trans	-85.4	125	175.2	-13.6	30	0	0	0	113.9	S62 K63 W64	P60-S62 VanDerWaalsContact C-N 3.3Å; P60-S62 PolarHBondContact O-N 2.74Å; P60-K63 HydrophobicContact CB-CB 4.44Å; P60-K63 HydrophobicContact CB-CD 4.49Å; P60-K63 HydrophobicContact CB-CG 4.32Å; P60-K63 HydrophobicContact CG-CD 4.08Å; P60-K63 HydrophobicContact CG-CG 4.46Å; P60-K63 PolarHBondContact O-N 3.36Å; P60-W64 PolarHBondContact O-N 3.43Å
61	W	40.7	Very low	40	Very low	117 Å²	117	130 Å²	130	44%	0.443	67%	0.665	S	S	.	*	H	α-helix	trans	-50.9	-41.1	175.7	-178.7	-106.8	0	0	0	114.4	K63 W64 K65	W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.19Å; W61-W64 WeakPolarHBondContact O-CB 3.41Å; W61-W64 PolarHBondContact O-N 2.98Å; W61-K65 PolarHBondContact O-N 3.21Å
62	S	45.9	Very low	40.2	Very low	84 Å²	84	130.2 Å²	130.2	59%	0.587	66%	0.66	S	S	*	*	H	α-helix	trans	-65.6	-30.2	178.9	49.4	0	0	0	0	113.6	P60 K66	P60-S62 VanDerWaalsContact C-N 3.3Å; P60-S62 PolarHBondContact O-N 2.74Å; S62-K66 PolarHBondContact O-N 3.39Å
63	K	47.4	Very low	40.4	Very low	142 Å²	142	124 Å²	124	62%	0.617	65%	0.652	S	S	*	*	H	α-helix	trans	-75.1	-28.1	172.1	-72.6	-173.4	-179.5	177.9	0	112	P60 W61 R67	P60-K63 HydrophobicContact CB-CB 4.44Å; P60-K63 HydrophobicContact CB-CD 4.49Å; P60-K63 HydrophobicContact CB-CG 4.32Å; P60-K63 HydrophobicContact CG-CD 4.08Å; P60-K63 HydrophobicContact CG-CG 4.46Å; P60-K63 PolarHBondContact O-N 3.36Å; W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.19Å; K63-R67 WeakPolarHBondContact O-CB 3.43Å; K63-R67 PolarHBondContact O-N 2.99Å
64	W	44.9	Very low	40.6	Very low	84 Å²	84	124.7 Å²	124.7	32%	0.318	66%	0.658	S	S	.	*	H	α-helix	trans	-73	-47.7	176.4	-113.4	74.7	0	0	0	112.5	F59 P60 W61 K66 R67 M68	F59-W64 AromaticContact CD1-CD1 3.68Å; F59-W64 AromaticContact CD1-NE1 3.53Å; F59-W64 AromaticContact CE1-NE1 3.66Å; P60-W64 PolarHBondContact O-N 3.43Å; W61-W64 WeakPolarHBondContact O-CB 3.41Å; W61-W64 PolarHBondContact O-N 2.98Å; W64-K66 PolarHBondContact O-N 2.93Å; W64-R67 PolarHBondContact O-N 3.3Å; W64-M68 PolarHBondContact O-N 3.5Å
65	K	40.8	Very low	40.8	Very low	168 Å²	168	119.8 Å²	119.8	73%	0.73	65%	0.646	S	S	*	*	H	α-helix	trans	-55.9	-37.8	173.7	-163.7	171.9	-176.3	174.1	0	111.7	W61 G69	W61-K65 PolarHBondContact O-N 3.21Å; K65-G69 PolarHBondContact O-N 3.41Å
66	K	42.8	Very low	41.2	Very low	167 Å²	167	120.2 Å²	120.2	73%	0.726	65%	0.647	S	S	*	*	H	α-helix	trans	-69.7	-40.7	173.9	-115.2	177.6	179.2	176.5	0	113.8	S62 W64 G69 S70	S62-K66 PolarHBondContact O-N 3.39Å; W64-K66 PolarHBondContact O-N 2.93Å; K66-G69 PolarHBondContact O-N 3.03Å; K66-S70 PolarHBondContact O-N 2.96Å; K66-S70 PolarHBondContact O-OG 3.37Å
67	R	41.7	Very low	41.6	Very low	165 Å²	165	112.5 Å²	112.5	62%	0.623	63%	0.633	S	S	*	*	H	α-helix	trans	-67.2	-33.7	178.1	-88	171	64.4	179.5	-1.9	112.9	K63 W64 S70	K63-R67 WeakPolarHBondContact O-CB 3.43Å; K63-R67 PolarHBondContact O-N 2.99Å; W64-R67 PolarHBondContact O-N 3.3Å; R67-S70 PolarHBondContact O-N 3.48Å
68	M	41.2	Very low	42.2	Very low	88 Å²	88	118.6 Å²	118.6	43%	0.433	64%	0.644	S	S	.	*	H	α-helix	trans	-73.8	-33.8	175.3	-76.5	-94	-77.5	0	0	112.7	W64 S70 L96	W64-M68 PolarHBondContact O-N 3.5Å; M68-S70 PolarHBondContact O-N 2.88Å; M68-L96 HydrophobicContact CE-CD1 4.44Å; M68-L96 HydrophobicContact CE-CD2 3.41Å; M68-L96 VanDerWaalsContact CE-CD2 3.41Å; M68-L96 HydrophobicContact CE-CG 4.5Å
69	G	37.9	Very low	42.7	Very low	63 Å²	63	118.5 Å²	118.5	65%	0.649	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-11.9	173	0	0	0	0	0	115	K65 K66	K65-G69 PolarHBondContact O-N 3.41Å; K66-G69 PolarHBondContact O-N 3.03Å
70	S	37.3	Very low	43.2	Very low	104 Å²	104	115.1 Å²	115.1	73%	0.727	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	3.8	-177.5	-73.1	0	0	0	0	115.1	K66 R67 M68	K66-S70 PolarHBondContact O-N 2.96Å; K66-S70 PolarHBondContact O-OG 3.37Å; R67-S70 PolarHBondContact O-N 3.48Å; M68-S70 PolarHBondContact O-N 2.88Å
71	S	38.3	Very low	43.7	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	65%	0.649	S	S	*	*	S	Bend	trans	-103.6	37	174.4	-171.2	0	0	0	0	113.1
72	M	39	Very low	45	Very low	137 Å²	137	116.7 Å²	116.7	68%	0.675	64%	0.639	S	S	*	*	S	Bend	trans	-126.9	116.3	159.6	-67.8	-165	75.9	0	0	108.3	A74 A77	M72-A74 PolarHBondContact O-N 3.06Å; M72-A77 HydrophobicContact CE-CB 3.77Å; M72-A77 HydrophobicContact SD-CB 4.27Å
73	S	36.2	Very low	46	Very low	105 Å²	105	116.9 Å²	116.9	73%	0.734	63%	0.634	S	S	*	*			trans	-46.9	134	159.1	171.5	0	0	0	0	108.2	A75	S73-A75 PolarHBondContact O-N 3.36Å
74	A	37.2	Very low	46.8	Very low	110 Å²	110	116.3 Å²	116.3	91%	0.909	64%	0.637	S	S	*	*	S	Bend	trans	-69.4	58.7	178.6	0	0	0	0	0	111.8	M72	M72-A74 PolarHBondContact O-N 3.06Å
75	A	38.5	Very low	47.9	Very low	65 Å²	65	121 Å²	121	54%	0.537	66%	0.66	S	S	.	*	S	Bend	trans	-116.7	90.8	169.3	0	0	0	0	0	107.1	S73 A77	S73-A75 PolarHBondContact O-N 3.36Å; A75-A77 PolarHBondContact O-N 2.93Å
76	T	43.8	Very low	49.7	Very low	135 Å²	135	118.3 Å²	118.3	83%	0.828	65%	0.65	S	S	*	*			trans	33.3	72.3	162.4	33	0	0	0	0	115.2	R78	T76-R78 PolarHBondContact O-N 3.43Å
77	A	43.8	Very low	51.8	Low	73 Å²	73	114.3 Å²	114.3	60%	0.603	64%	0.637	S	S	*	*			trans	-70.5	80.6	170.1	0	0	0	0	0	109.5	M72 A75 R79	M72-A77 HydrophobicContact CE-CB 3.77Å; M72-A77 HydrophobicContact SD-CB 4.27Å; A75-A77 PolarHBondContact O-N 2.93Å; A77-R79 PolarHBondContact O-N 3.03Å
78	R	50.8	Low	54.1	Low	230 Å²	230	107 Å²	107	87%	0.868	61%	0.611	S	S	*	*			trans	-60.8	126.8	160.6	-73.8	-174.9	170.2	-171.5	-3.1	106.5	T76	T76-R78 PolarHBondContact O-N 3.43Å
79	R	55	Low	56.5	Low	171 Å²	171	105.9 Å²	105.9	65%	0.645	61%	0.606	S	S	*	*			trans	-50.5	133.2	170.8	-71.2	-178.8	175.4	170.8	-2.6	107.8	A77 V81	A77-R79 PolarHBondContact O-N 3.03Å; R79-V81 PolarHBondContact O-N 2.72Å
80	P	58	Low	59	Low	61 Å²	61	104.6 Å²	104.6	40%	0.396	58%	0.583	S	S	.	*			trans	-57.6	115	171.2	22.8	-29.4	0	0	0	107.3	F82 R113	P80-F82 HydrophobicContact CB-CD2 4.35Å; P80-F82 HydrophobicContact CB-CE2 3.72Å; P80-F82 HydrophobicContact CB-CZ 4.08Å; P80-F82 HydrophobicContact CG-CE2 3.82Å; P80-F82 HydrophobicContact CG-CZ 4.39Å; P80-F82 PolarHBondContact O-N 3.49Å; P80-R113 HydrophobicContact CG-CB 3.97Å
81	V	57.2	Low	61.5	Low	141 Å²	141	103.1 Å²	103.1	86%	0.855	57%	0.567	S	S	*	*			trans	-84.5	107.3	173.6	-177.5	0	0	0	0	105	R79	R79-V81 PolarHBondContact O-N 2.72Å
82	F	67.9	Low	64	Low	54 Å²	54	98.5 Å²	98.5	24%	0.237	53%	0.533	C	S	.	.			trans	-84.3	143.3	168.8	-64.8	-85.4	0	0	0	108.2	P80 D84 H92 R113 D114	P80-F82 HydrophobicContact CB-CD2 4.35Å; P80-F82 HydrophobicContact CB-CE2 3.72Å; P80-F82 HydrophobicContact CB-CZ 4.08Å; P80-F82 HydrophobicContact CG-CE2 3.82Å; P80-F82 HydrophobicContact CG-CZ 4.39Å; P80-F82 PolarHBondContact O-N 3.49Å; F82-D84 PolarHBondContact O-N 3.05Å; F82-H92 AromaticContact CD1-CD2 3.21Å; F82-H92 WeakPolarHBondContact CD1-CD2 3.44Å; F82-H92 AromaticContact CD1-CE1 3.97Å; F82-H92 AromaticContact CD1-NE2 3.19Å; F82-H92 WeakPolarHBondContact CD1-NE2 3.4Å; F82-H92 AromaticContact CD2-CD2 3.95Å; F82-H92 AromaticContact CE1-CD2 3.61Å; F82-H92 AromaticContact CE1-CG 3.98Å; F82-H92 AromaticContact CE1-NE2 3.87Å; F82-H92 AromaticContact CG-CD2 3.39Å; F82-H92 WeakPolarHBondContact CG-CD2 3.06Å; F82-H92 AromaticContact CG-NE2 3.61Å; F82-R113 HydrophobicContact CE2-CB 3.77Å; F82-R113 HydrophobicContact CZ-CB 4.21Å; F82-D114 HydrophobicContact CD2-CB 4.08Å
83	D	66.1	Low	66.6	Low	88 Å²	88	92.2 Å²	92.2	47%	0.471	50%	0.503	S	S	.	.			trans	-69	124.2	174.4	-174	-8.4	0	0	0	108.5	K85 E86	D83-K85 PolarHBondContact O-N 3.26Å; D83-K85 WeakPolarHBondContact OD1-CB 3.19Å; D83-K85 PolarHBondContact OD1-N 3.46Å; D83-E86 HydrophobicContact CB-CB 4.49Å; D83-E86 HydrophobicContact CB-CG 4.13Å; D83-E86 PolarHBondContact O-N 3.16Å
84	D	64.5	Low	69.2	Low	129 Å²	129	90.7 Å²	90.7	69%	0.69	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.9	175.9	-82.4	-57.6	0	0	0	112.5	F82 R443	F82-D84 PolarHBondContact O-N 3.05Å; D84-R443 IonicContact OD1-CZ 3.94Å; D84-R443 IonicContact OD1-NH1 2.93Å; D84-R443 PolarHBondContact OD1-NH1 2.64Å; D84-R443 IonicContact OD1-NH2 3.99Å
85	K	67.5	Low	71.7	Confident	182 Å²	182	86 Å²	86	79%	0.791	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-18	175.7	-62.4	-177.4	179.8	-178.1	0	114.3	D83	D83-K85 PolarHBondContact O-N 3.26Å; D83-K85 WeakPolarHBondContact OD1-CB 3.19Å; D83-K85 PolarHBondContact OD1-N 3.46Å
86	E	78.9	Confident	73.9	Confident	113 Å²	113	84.8 Å²	84.8	53%	0.528	43%	0.428	S	S	.	.	S	Bend	trans	-80.1	142.1	178.7	-77.1	-173.7	174.5	0	0	111.2	D83	D83-E86 HydrophobicContact CB-CB 4.49Å; D83-E86 HydrophobicContact CB-CG 4.13Å; D83-E86 PolarHBondContact O-N 3.16Å
87	D	86.8	Confident	75.8	Confident	83 Å²	83	80.8 Å²	80.8	44%	0.444	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-70.2	136.6	174.1	-70.3	-36.7	0	0	0	110.7	N89 I435 K440	D87-N89 PolarHBondContact O-N 3.08Å; D87-I435 HydrophobicContact CB-CD1 4.49Å; D87-K440 IonicContact OD1-NZ 3.36Å
88	V	91.1	Very high	77.7	Confident	12 Å²	12	77.4 Å²	77.4	7%	0.073	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62	128.8	178.5	173.7	0	0	0	0	109.3	H92 F93 Y158 F160 N437	V88-H92 HydrophobicContact CG1-CB 4.42Å; V88-F93 HydrophobicContact CG1-CE2 3.54Å; V88-F93 HydrophobicContact CG1-CZ 3.94Å; V88-Y158 HydrophobicContact CB-CD1 4.14Å; V88-Y158 HydrophobicContact CG1-CD1 3.85Å; V88-Y158 HydrophobicContact CG1-CE1 4.33Å; V88-Y158 HydrophobicContact CG1-CG 4.19Å; V88-Y158 HydrophobicContact CG2-CD1 4.14Å; V88-Y158 HydrophobicContact CG2-CE1 4.15Å; V88-F160 HydrophobicContact CG1-CD1 4.4Å; V88-F160 HydrophobicContact CG1-CE1 4.33Å; V88-N437 WeakPolarHBondContact CG2-ND2 3.35Å
89	N	91.6	Very high	79.2	Confident	63 Å²	63	68 Å²	68	34%	0.337	34%	0.336	S	S	.	.			trans	-138.3	-178.4	-178.7	66.8	43.9	0	0	0	111.3	D87 D91 H92 F93	D87-N89 PolarHBondContact O-N 3.08Å; N89-D91 VanDerWaalsContact C-N 3.3Å; N89-D91 PolarHBondContact O-N 3.26Å; N89-D91 PolarHBondContact OD1-N 3.23Å; N89-H92 VanDerWaalsContact CG-ND1 3.32Å; N89-H92 PolarHBondContact N-ND1 3.2Å; N89-H92 VanDerWaalsContact N-ND1 3.13Å; N89-H92 VanDerWaalsContact O-CB 3.31Å; N89-H92 WeakPolarHBondContact O-CB 3.22Å; N89-H92 PolarHBondContact O-N 3.14Å; N89-H92 VanDerWaalsContact O-N 3.13Å; N89-H92 PolarHBondContact O-ND1 2.81Å; N89-H92 PolarHBondContact OD1-ND1 3.03Å; N89-F93 WeakPolarHBondContact O-CD2 3.12Å
90	F	89.6	Confident	80.4	Confident	36 Å²	36	60.5 Å²	60.5	16%	0.158	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.9	-37	-176.4	-173.8	-97.2	0	0	0	114.6	H92 F93 I95 M121 F160 F167 L395	F90-H92 PolarHBondContact O-N 3.07Å; F90-F93 PolarHBondContact O-N 3.06Å; F90-F93 VanDerWaalsContact O-N 3.08Å; F90-I95 HydrophobicContact CE2-CD1 3.71Å; F90-I95 HydrophobicContact CE2-CG1 4.42Å; F90-I95 HydrophobicContact CZ-CD1 3.41Å; F90-I95 VanDerWaalsContact CZ-CD1 3.41Å; F90-I95 HydrophobicContact CZ-CG1 4.28Å; F90-M121 HydrophobicContact CD2-SD 4.26Å; F90-M121 HydrophobicContact CE2-SD 4.21Å; F90-F160 HydrophobicContact CB-CE2 3.83Å; F90-F160 HydrophobicContact CD2-CE2 4.39Å; F90-F160 VanDerWaalsContact N-CE2 3.27Å; F90-F167 HydrophobicContact CD2-CD1 4.07Å; F90-F167 AromaticContact CD2-CE1 3.47Å; F90-F167 HydrophobicContact CD2-CE1 3.47Å; F90-F167 VanDerWaalsContact CD2-CE1 3.47Å; F90-F167 HydrophobicContact CD2-CE2 4.4Å; F90-F167 AromaticContact CD2-CZ 3.65Å; F90-F167 HydrophobicContact CD2-CZ 3.65Å; F90-F167 HydrophobicContact CE2-CD1 4.44Å; F90-F167 AromaticContact CE2-CE1 3.66Å; F90-F167 HydrophobicContact CE2-CE1 3.66Å; F90-F167 HydrophobicContact CE2-CZ 4.08Å; F90-F167 HydrophobicContact CG-CZ 4.4Å; F90-L395 HydrophobicContact CE2-CD2 3.94Å; F90-L395 HydrophobicContact CZ-CB 4.45Å; F90-L395 HydrophobicContact CZ-CD2 4.08Å
91	D	89.4	Confident	81.5	Confident	74 Å²	74	63.1 Å²	63.1	40%	0.396	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.7	-176.7	-83.6	-10.2	0	0	0	112.5	N89 F93 R113 K399	N89-D91 VanDerWaalsContact C-N 3.3Å; N89-D91 PolarHBondContact O-N 3.26Å; N89-D91 PolarHBondContact OD1-N 3.23Å; D91-F93 PolarHBondContact O-N 3.41Å; D91-R113 VanDerWaalsContact O-CD 3.29Å; D91-R113 WeakPolarHBondContact O-CD 3.4Å; D91-R113 PolarHBondContact O-NE 3.26Å; D91-K399 IonicContact OD1-NZ 2.93Å; D91-K399 IonicContact OD2-NZ 2.72Å; D91-K399 PolarHBondContact OD2-NZ 3.35Å
92	H	91.6	Very high	82.3	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.028	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-71.4	-13.2	174.8	-64.5	78.6	0	0	0	113.2	F82 V88 N89 F90 R113	F82-H92 AromaticContact CD1-CD2 3.21Å; F82-H92 WeakPolarHBondContact CD1-CD2 3.44Å; F82-H92 AromaticContact CD1-CE1 3.97Å; F82-H92 AromaticContact CD1-NE2 3.19Å; F82-H92 WeakPolarHBondContact CD1-NE2 3.4Å; F82-H92 AromaticContact CD2-CD2 3.95Å; F82-H92 AromaticContact CE1-CD2 3.61Å; F82-H92 AromaticContact CE1-CG 3.98Å; F82-H92 AromaticContact CE1-NE2 3.87Å; F82-H92 AromaticContact CG-CD2 3.39Å; F82-H92 WeakPolarHBondContact CG-CD2 3.06Å; F82-H92 AromaticContact CG-NE2 3.61Å; V88-H92 HydrophobicContact CG1-CB 4.42Å; N89-H92 VanDerWaalsContact CG-ND1 3.32Å; N89-H92 PolarHBondContact N-ND1 3.2Å; N89-H92 VanDerWaalsContact N-ND1 3.13Å; N89-H92 VanDerWaalsContact O-CB 3.31Å; N89-H92 WeakPolarHBondContact O-CB 3.22Å; N89-H92 PolarHBondContact O-N 3.14Å; N89-H92 VanDerWaalsContact O-N 3.13Å; N89-H92 PolarHBondContact O-ND1 2.81Å; N89-H92 PolarHBondContact OD1-ND1 3.03Å; F90-H92 PolarHBondContact O-N 3.07Å; H92-R113 WeakPolarHBondContact O-CB 3.29Å; H92-R113 WeakPolarHBondContact O-CG 3.48Å; H92-R113 PolarHBondContact O-N 3.01Å
93	F	92.6	Very high	82.5	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.8	-177.3	-62.9	-88.6	0	0	0	111.9	V88 N89 F90 D91 V110 Q111 K112 Y119 M121 Y158 F160 V169	V88-F93 HydrophobicContact CG1-CE2 3.54Å; V88-F93 HydrophobicContact CG1-CZ 3.94Å; N89-F93 WeakPolarHBondContact O-CD2 3.12Å; F90-F93 PolarHBondContact O-N 3.06Å; F90-F93 VanDerWaalsContact O-N 3.08Å; D91-F93 PolarHBondContact O-N 3.41Å; F93-V110 HydrophobicContact CB-CB 4.31Å; F93-V110 HydrophobicContact CD1-CB 4.28Å; F93-V110 HydrophobicContact CD1-CG2 3.77Å; F93-V110 HydrophobicContact CE1-CG2 4.4Å; F93-V110 HydrophobicContact CG-CG2 4.47Å; F93-Q111 CarbonylContact C-O 3.59Å; F93-Q111 WeakPolarHBondContact CA-O 3.44Å; F93-K112 HydrophobicContact CD1-CB 4.06Å; F93-K112 HydrophobicContact CD1-CG 4.26Å; F93-K112 HydrophobicContact CE1-CB 3.83Å; F93-K112 HydrophobicContact CE1-CG 3.81Å; F93-K112 HydrophobicContact CZ-CG 4.15Å; F93-Y119 HydrophobicContact CE1-CD2 4.2Å; F93-M121 HydrophobicContact CB-CE 3.77Å; F93-M121 HydrophobicContact CD1-CE 4.14Å; F93-M121 HydrophobicContact CD2-CE 3.72Å; F93-M121 HydrophobicContact CE2-CE 4.36Å; F93-M121 HydrophobicContact CG-CE 3.59Å; F93-Y158 HydrophobicContact CE1-CD2 4.36Å; F93-Y158 HydrophobicContact CE1-CE2 4.33Å; F93-Y158 AromaticContact CZ-CD2 3.75Å; F93-Y158 HydrophobicContact CZ-CD2 3.75Å; F93-Y158 AromaticContact CZ-CE2 3.98Å; F93-Y158 HydrophobicContact CZ-CE2 3.98Å; F93-Y158 HydrophobicContact CZ-CG 4.21Å; F93-F160 HydrophobicContact CD2-CE1 4.11Å; F93-F160 AromaticContact CD2-CZ 3.89Å; F93-F160 HydrophobicContact CD2-CZ 3.89Å; F93-F160 AromaticContact CE2-CE1 3.55Å; F93-F160 HydrophobicContact CE2-CE1 3.55Å; F93-F160 AromaticContact CE2-CZ 3.84Å; F93-F160 HydrophobicContact CE2-CZ 3.84Å; F93-F160 HydrophobicContact CZ-CE1 4.37Å; F93-V169 HydrophobicContact CE1-CG1 3.96Å; F93-V169 HydrophobicContact CE1-CG2 4.41Å; F93-V169 HydrophobicContact CE2-CG2 4.37Å; F93-V169 HydrophobicContact CZ-CG1 4.2Å; F93-V169 HydrophobicContact CZ-CG2 4.11Å
94	Q	90.9	Very high	83.1	Confident	73 Å²	73	56 Å²	56	34%	0.341	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.1	165.8	-174.8	-178.1	3.5	0	0	108.4	L96 V110 Q111	Q94-L96 HydrophobicContact CG-CD2 3.97Å; Q94-V110 CarbonylContact O-C 3.58Å; Q94-V110 VanDerWaalsContact O-CA 3.3Å; Q94-V110 WeakPolarHBondContact O-CA 3.21Å; Q94-Q111 PolarHBondContact N-O 2.97Å; Q94-Q111 PolarHBondContact O-N 3.08Å
95	I	89.3	Confident	84	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135	173.1	-59.6	171	0	0	0	109.2	F90 C108 V110 L395 H396	F90-I95 HydrophobicContact CE2-CD1 3.71Å; F90-I95 HydrophobicContact CE2-CG1 4.42Å; F90-I95 HydrophobicContact CZ-CD1 3.41Å; F90-I95 VanDerWaalsContact CZ-CD1 3.41Å; F90-I95 HydrophobicContact CZ-CG1 4.28Å; I95-C108 HydrophobicContact CG2-CB 3.9Å; I95-V110 HydrophobicContact CB-CG1 4.5Å; I95-V110 HydrophobicContact CG1-CG1 4.02Å; I95-L395 HydrophobicContact CD1-CB 3.49Å; I95-L395 VanDerWaalsContact CD1-CB 3.49Å; I95-L395 HydrophobicContact CD1-CD2 3.73Å; I95-L395 HydrophobicContact CD1-CG 4.2Å; I95-H396 VanDerWaalsContact C-NE2 3.35Å; I95-H396 VanDerWaalsContact CB-NE2 3.26Å; I95-H396 WeakPolarHBondContact CB-NE2 3.39Å; I95-H396 WeakPolarHBondContact CG2-CE1 3.37Å; I95-H396 WeakPolarHBondContact CG2-NE2 3.44Å; I95-H396 PolarHBondContact O-CD2 3.4Å; I95-H396 PolarHBondContact O-NE2 3.24Å
96	L	85.5	Confident	84.8	Confident	39 Å²	39	43 Å²	43	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-54.4	-178.2	-57	-170.5	0	0	0	113	M68 Q94 I109 Q111 M118	M68-L96 HydrophobicContact CE-CD1 4.44Å; M68-L96 HydrophobicContact CE-CD2 3.41Å; M68-L96 VanDerWaalsContact CE-CD2 3.41Å; M68-L96 HydrophobicContact CE-CG 4.5Å; Q94-L96 HydrophobicContact CG-CD2 3.97Å; L96-I109 HydrophobicContact CB-CB 4.44Å; L96-I109 HydrophobicContact CB-CG2 4.25Å; L96-I109 WeakPolarHBondContact CB-O 3.19Å; L96-I109 HydrophobicContact CD1-CG2 4.07Å; L96-I109 PolarHBondContact N-O 3.24Å; L96-Q111 HydrophobicContact CD1-CB 4.3Å; L96-M118 HydrophobicContact CD1-CE 3.28Å; L96-M118 HydrophobicContact CD1-SD 3.96Å
97	R	82.8	Confident	85.4	Confident	51 Å²	51	39.4 Å²	39.4	19%	0.192	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	133.1	-169.3	-176.4	174.2	-179.4	168.9	6.8	111.5	C108 I109 E384	R97-C108 CarbonylContact O-C 3.57Å; R97-C108 VanDerWaalsContact O-CA 3.28Å; R97-C108 WeakPolarHBondContact O-CA 3.34Å; R97-I109 PolarHBondContact O-N 3.32Å; R97-E384 HydrophobicContact CG-CG 3.94Å; R97-E384 IonicContact CZ-OE1 3.5Å; R97-E384 IonicContact CZ-OE2 2.84Å; R97-E384 IonicContact NE-OE1 2.97Å; R97-E384 PolarHBondContact NE-OE1 3.25Å; R97-E384 IonicContact NE-OE2 3.19Å; R97-E384 PolarHBondContact NE-OE2 2.96Å; R97-E384 VanDerWaalsContact NE-OE2 3.14Å; R97-E384 IonicContact NH2-OE1 3.49Å; R97-E384 PolarHBondContact NH2-OE1 3.32Å; R97-E384 IonicContact NH2-OE2 3.99Å; R97-E384 PolarHBondContact NH2-OE2 3.48Å
98	A	84.1	Confident	85.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.4	166.7	0	0	0	0	0	111.5	E387	A98-E387 HydrophobicContact CB-CB 4.39Å; A98-E387 WeakPolarHBondContact CB-OE2 3.3Å; A98-E387 PolarHBondContact N-OE2 2.93Å
99	I	82.8	Confident	85.5	Confident	33 Å²	33	35.2 Å²	35.2	17%	0.169	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-12.3	-179.6	53.2	167.1	0	0	0	113.6	V107 I109 A120 L172 L377 C379	I99-V107 HydrophobicContact CD1-CG1 4.02Å; I99-V107 HydrophobicContact CG1-CB 4.28Å; I99-V107 HydrophobicContact CG1-CG1 3.96Å; I99-V107 WeakPolarHBondContact CG1-O 3.4Å; I99-V107 PolarHBondContact N-O 3.02Å; I99-I109 HydrophobicContact CD1-CG1 3.94Å; I99-I109 HydrophobicContact CG1-CG1 4.3Å; I99-I109 HydrophobicContact CG2-CD1 3.56Å; I99-I109 HydrophobicContact CG2-CG1 3.58Å; I99-A120 HydrophobicContact CD1-CB 4.39Å; I99-L172 HydrophobicContact CD1-CD1 4.19Å; I99-L377 HydrophobicContact CG2-CD1 4.01Å; I99-C379 WeakPolarHBondContact O-CB 3.41Å
100	G	81.1	Confident	85.7	Confident	14 Å²	14	32.2 Å²	32.2	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	163.8	177.6	0	0	0	0	0	112.1	K106 V107	G100-K106 WeakPolarHBondContact O-CA 3.48Å; G100-K106 WeakPolarHBondContact O-CB 3.47Å; G100-V107 PolarHBondContact N-O 2.91Å; G100-V107 PolarHBondContact O-N 3.08Å
101	K	80.1	Confident	85.9	Confident	115 Å²	115	32.6 Å²	32.6	50%	0.5	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.7	175.2	-172.9	175.9	-173.2	165	0	108.2	F383 E386	K101-F383 HydrophobicContact CB-CD1 3.72Å; K101-F383 HydrophobicContact CB-CE1 3.38Å; K101-F383 HydrophobicContact CB-CZ 4.22Å; K101-F383 HydrophobicContact CD-CE1 4.33Å; K101-E386 IonicContact NZ-OE1 3.55Å; K101-E386 PolarHBondContact NZ-OE1 2.93Å; K101-E386 IonicContact NZ-OE2 3.57Å; K101-E386 PolarHBondContact NZ-OE2 3.35Å
102	G	73.8	Confident	86.2	Confident	32 Å²	32	29.4 Å²	29.4	33%	0.33	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	175.3	173.2	0	0	0	0	0	111.3	F104 G105	G102-F104 PolarHBondContact O-N 2.87Å; G102-G105 PolarHBondContact N-O 3.49Å; G102-G105 VanDerWaalsContact O-O 3.1Å
103	S	73.3	Confident	86.2	Confident	79 Å²	79	34.6 Å²	34.6	55%	0.552	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.9	178.9	-54.9	0	0	0	0	113.6	R132	S103-R132 PolarHBondContact O-NH1 3.22Å
104	F	78.3	Confident	86.1	Confident	22 Å²	22	36.5 Å²	36.5	10%	0.096	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	10.4	-171.5	-40.4	-71.8	0	0	0	113.4	G102 M124 N125 R132 E134	G102-F104 PolarHBondContact O-N 2.87Å; F104-M124 HydrophobicContact CB-CB 4.4Å; F104-N125 PolarHBondContact O-N 3.42Å; F104-R132 HydrophobicContact CE1-CB 4.17Å; F104-E134 HydrophobicContact CE1-CB 3.85Å; F104-E134 HydrophobicContact CE1-CG 3.68Å; F104-E134 HydrophobicContact CE2-CB 4.13Å; F104-E134 HydrophobicContact CE2-CG 4.33Å; F104-E134 HydrophobicContact CZ-CB 3.54Å; F104-E134 HydrophobicContact CZ-CG 3.36Å
105	G	82.6	Confident	86.2	Confident	18 Å²	18	36.2 Å²	36.2	19%	0.186	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-150.5	-176	0	0	0	0	0	112.6	G102 Y123	G102-G105 PolarHBondContact N-O 3.49Å; G102-G105 VanDerWaalsContact O-O 3.1Å; G105-Y123 WeakPolarHBondContact CA-O 3.38Å
106	K	85.2	Confident	86.3	Confident	22 Å²	22	40.8 Å²	40.8	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	166.6	-179	-49.9	-174.9	175.4	-176.9	0	111.8	G100 Y123 E391	G100-K106 WeakPolarHBondContact O-CA 3.48Å; G100-K106 WeakPolarHBondContact O-CB 3.47Å; K106-Y123 HydrophobicContact CB-CE1 3.58Å; K106-Y123 HydrophobicContact CB-CE2 4.4Å; K106-Y123 VanDerWaalsContact CB-CZ 3.46Å; K106-Y123 WeakPolarHBondContact CB-OH 3.42Å; K106-Y123 VanDerWaalsContact CD-OH 3.25Å; K106-Y123 WeakPolarHBondContact CD-OH 3.28Å; K106-Y123 HydrophobicContact CG-CE1 4.43Å; K106-Y123 WeakPolarHBondContact CG-OH 3.43Å; K106-Y123 PolarHBondContact N-O 2.89Å; K106-Y123 WeakPolarHBondContact O-CD1 3.44Å; K106-Y123 WeakPolarHBondContact O-CE1 3.46Å; K106-Y123 PolarHBondContact O-N 2.81Å; K106-Y123 VanDerWaalsContact O-N 3.08Å; K106-E391 WeakPolarHBondContact CE-OE1 3.31Å; K106-E391 IonicContact NZ-OE1 3.11Å; K106-E391 PolarHBondContact NZ-OE1 3.23Å
107	V	90.1	Very high	86.8	Confident	37 Å²	37	43 Å²	43	22%	0.224	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.7	173	-172.8	0	0	0	0	107.6	I99 G100 A120 M121 K122	I99-V107 HydrophobicContact CD1-CG1 4.02Å; I99-V107 HydrophobicContact CG1-CB 4.28Å; I99-V107 HydrophobicContact CG1-CG1 3.96Å; I99-V107 WeakPolarHBondContact CG1-O 3.4Å; I99-V107 PolarHBondContact N-O 3.02Å; G100-V107 PolarHBondContact N-O 2.91Å; G100-V107 PolarHBondContact O-N 3.08Å; V107-A120 HydrophobicContact CG1-CB 4.15Å; V107-M121 CarbonylContact C-O 3.5Å; V107-M121 WeakPolarHBondContact CA-O 3.35Å; V107-K122 HydrophobicContact CG2-CB 4.24Å; V107-K122 HydrophobicContact CG2-CG 4.32Å
108	C	90.6	Very high	87.4	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.1	179.8	-66.3	0	0	0	0	111.2	I95 R97 V110 A120 M121	I95-C108 HydrophobicContact CG2-CB 3.9Å; R97-C108 CarbonylContact O-C 3.57Å; R97-C108 VanDerWaalsContact O-CA 3.28Å; R97-C108 WeakPolarHBondContact O-CA 3.34Å; C108-V110 HydrophobicContact CB-CG1 4.48Å; C108-V110 PolarHBondContact O-N 3.07Å; C108-A120 CarbonylContact O-C 3.58Å; C108-A120 WeakPolarHBondContact O-CA 3.3Å; C108-M121 PolarHBondContact N-O 3.33Å; C108-M121 PolarHBondContact O-N 2.84Å
109	I	91.2	Very high	88	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.9	162	-63.2	175.1	0	0	0	107.9	L96 R97 I99 M118 Y119 L172 L174 L377	L96-I109 HydrophobicContact CB-CB 4.44Å; L96-I109 HydrophobicContact CB-CG2 4.25Å; L96-I109 WeakPolarHBondContact CB-O 3.19Å; L96-I109 HydrophobicContact CD1-CG2 4.07Å; L96-I109 PolarHBondContact N-O 3.24Å; R97-I109 PolarHBondContact O-N 3.32Å; I99-I109 HydrophobicContact CD1-CG1 3.94Å; I99-I109 HydrophobicContact CG1-CG1 4.3Å; I99-I109 HydrophobicContact CG2-CD1 3.56Å; I99-I109 HydrophobicContact CG2-CG1 3.58Å; I109-M118 HydrophobicContact CG2-CE 3.28Å; I109-Y119 WeakPolarHBondContact CA-O 3.45Å; I109-L172 HydrophobicContact CD1-CD1 4.41Å; I109-L172 HydrophobicContact CG1-CD1 3.84Å; I109-L172 HydrophobicContact CG1-CD2 4.38Å; I109-L172 HydrophobicContact CG2-CD2 3.92Å; I109-L174 HydrophobicContact CD1-CD2 4.49Å; I109-L377 HydrophobicContact CD1-CD1 3.92Å; I109-L377 HydrophobicContact CD1-CD2 4.13Å
110	V	94.1	Very high	88.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154	176.1	-57.5	0	0	0	0	110.8	F93 Q94 I95 C108 M118 Y119 M121 V169	F93-V110 HydrophobicContact CB-CB 4.31Å; F93-V110 HydrophobicContact CD1-CB 4.28Å; F93-V110 HydrophobicContact CD1-CG2 3.77Å; F93-V110 HydrophobicContact CE1-CG2 4.4Å; F93-V110 HydrophobicContact CG-CG2 4.47Å; Q94-V110 CarbonylContact O-C 3.58Å; Q94-V110 VanDerWaalsContact O-CA 3.3Å; Q94-V110 WeakPolarHBondContact O-CA 3.21Å; I95-V110 HydrophobicContact CB-CG1 4.5Å; I95-V110 HydrophobicContact CG1-CG1 4.02Å; C108-V110 HydrophobicContact CB-CG1 4.48Å; C108-V110 PolarHBondContact O-N 3.07Å; V110-M118 WeakPolarHBondContact O-CA 3.36Å; V110-Y119 PolarHBondContact N-O 2.79Å; V110-Y119 PolarHBondContact O-N 3.01Å; V110-M121 HydrophobicContact CB-CB 4.33Å; V110-M121 HydrophobicContact CB-CE 4.4Å; V110-M121 HydrophobicContact CG1-CB 3.48Å; V110-M121 VanDerWaalsContact CG1-CB 3.48Å; V110-M121 HydrophobicContact CG1-CE 3.99Å; V110-M121 HydrophobicContact CG1-CG 4.33Å; V110-M121 HydrophobicContact CG1-SD 3.98Å; V110-M121 HydrophobicContact CG2-CB 3.86Å; V110-M121 HydrophobicContact CG2-CE 4.15Å; V110-V169 HydrophobicContact CG2-CG1 4.47Å
111	Q	94.9	Very high	89.3	Confident	44 Å²	44	41.4 Å²	41.4	21%	0.206	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.6	171.8	-171	174.1	39.5	0	0	109.4	F93 Q94 L96 R113 E116 K117 M118	F93-Q111 CarbonylContact C-O 3.59Å; F93-Q111 WeakPolarHBondContact CA-O 3.44Å; Q94-Q111 PolarHBondContact N-O 2.97Å; Q94-Q111 PolarHBondContact O-N 3.08Å; L96-Q111 HydrophobicContact CD1-CB 4.3Å; Q111-R113 PolarHBondContact O-N 2.95Å; Q111-E116 WeakPolarHBondContact CG-O 3.5Å; Q111-E116 PolarHBondContact NE2-O 2.66Å; Q111-K117 WeakPolarHBondContact CA-O 3.37Å; Q111-M118 HydrophobicContact CB-SD 3.64Å; Q111-M118 HydrophobicContact CG-SD 3.69Å
112	K	95	Very high	89.9	Confident	7 Å²	7	37.8 Å²	37.8	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.3	172.1	-159	-165.2	176.2	-145.9	0	108.6	F93 D114 T115 E116 K117 Y119 Y158 E439	F93-K112 HydrophobicContact CD1-CB 4.06Å; F93-K112 HydrophobicContact CD1-CG 4.26Å; F93-K112 HydrophobicContact CE1-CB 3.83Å; F93-K112 HydrophobicContact CE1-CG 3.81Å; F93-K112 HydrophobicContact CZ-CG 4.15Å; K112-D114 WeakPolarHBondContact CD-OD1 3.47Å; K112-D114 WeakPolarHBondContact CE-OD1 3.28Å; K112-D114 WeakPolarHBondContact CE-OD2 3.44Å; K112-D114 WeakPolarHBondContact CG-OD1 3.31Å; K112-D114 IonicContact NZ-OD1 2.79Å; K112-D114 PolarHBondContact NZ-OD1 3.3Å; K112-D114 IonicContact NZ-OD2 3.07Å; K112-D114 PolarHBondContact NZ-OD2 3.13Å; K112-D114 PolarHBondContact O-N 2.92Å; K112-T115 HydrophobicContact CD-CG2 4.44Å; K112-E116 WeakPolarHBondContact O-CA 3.44Å; K112-E116 PolarHBondContact O-N 3.21Å; K112-K117 PolarHBondContact N-O 3.41Å; K112-Y119 HydrophobicContact CB-CD2 4.42Å; K112-Y119 HydrophobicContact CB-CE2 4.02Å; K112-Y158 WeakPolarHBondContact CD-OH 3.42Å; K112-E439 IonicContact NZ-OE2 3.24Å; K112-E439 PolarHBondContact NZ-OE2 3.44Å
113	R	92.6	Very high	90.6	Very high	114 Å²	114	37.2 Å²	37.2	43%	0.43	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30	-164.6	-73.9	172.9	178.6	-94.5	0.4	114.9	P80 F82 D91 H92 Q111	P80-R113 HydrophobicContact CG-CB 3.97Å; F82-R113 HydrophobicContact CE2-CB 3.77Å; F82-R113 HydrophobicContact CZ-CB 4.21Å; D91-R113 VanDerWaalsContact O-CD 3.29Å; D91-R113 WeakPolarHBondContact O-CD 3.4Å; D91-R113 PolarHBondContact O-NE 3.26Å; H92-R113 WeakPolarHBondContact O-CB 3.29Å; H92-R113 WeakPolarHBondContact O-CG 3.48Å; H92-R113 PolarHBondContact O-N 3.01Å; Q111-R113 PolarHBondContact O-N 2.95Å
114	D	90.4	Very high	91.6	Very high	46 Å²	46	33.6 Å²	33.6	25%	0.246	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-43.7	-178.1	57.4	-18.6	0	0	0	112.9	F82 K112	F82-D114 HydrophobicContact CD2-CB 4.08Å; K112-D114 WeakPolarHBondContact CD-OD1 3.47Å; K112-D114 WeakPolarHBondContact CE-OD1 3.28Å; K112-D114 WeakPolarHBondContact CE-OD2 3.44Å; K112-D114 WeakPolarHBondContact CG-OD1 3.31Å; K112-D114 IonicContact NZ-OD1 2.79Å; K112-D114 PolarHBondContact NZ-OD1 3.3Å; K112-D114 IonicContact NZ-OD2 3.07Å; K112-D114 PolarHBondContact NZ-OD2 3.13Å; K112-D114 PolarHBondContact O-N 2.92Å
115	T	91.9	Very high	92.3	Very high	68 Å²	68	34.1 Å²	34.1	42%	0.417	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-14	-175	57	0	0	0	0	113.2	K112 K117	K112-T115 HydrophobicContact CD-CG2 4.44Å; T115-K117 PolarHBondContact O-N 3.13Å; T115-K117 PolarHBondContact OG1-N 2.98Å
116	E	92.8	Very high	92.8	Very high	108 Å²	108	33.4 Å²	33.4	51%	0.505	16%	0.16	S	C	.	.			trans	58.9	10.7	-170.8	-61.7	177.8	-167.7	0	0	114	Q111 K112	Q111-E116 WeakPolarHBondContact CG-O 3.5Å; Q111-E116 PolarHBondContact NE2-O 2.66Å; K112-E116 WeakPolarHBondContact O-CA 3.44Å; K112-E116 PolarHBondContact O-N 3.21Å
117	K	94.6	Very high	93.2	Very high	84 Å²	84	36.4 Å²	36.4	37%	0.365	18%	0.175	S	C	.	.			trans	-72.6	139.7	179.6	-174.2	167.2	165.5	-172	0	110.6	Q111 K112 T115 Y119 W157	Q111-K117 WeakPolarHBondContact CA-O 3.37Å; K112-K117 PolarHBondContact N-O 3.41Å; T115-K117 PolarHBondContact O-N 3.13Å; T115-K117 PolarHBondContact OG1-N 2.98Å; K117-Y119 HydrophobicContact CB-CE2 3.8Å; K117-Y119 HydrophobicContact CD-CE1 4.29Å; K117-Y119 HydrophobicContact CD-CE2 4.15Å; K117-Y119 VanDerWaalsContact CD-OH 3.28Å; K117-Y119 WeakPolarHBondContact CD-OH 3.39Å; K117-Y119 WeakPolarHBondContact CE-OH 3.49Å; K117-Y119 HydrophobicContact CG-CD2 4.43Å; K117-Y119 HydrophobicContact CG-CE1 4.4Å; K117-Y119 HydrophobicContact CG-CE2 3.68Å; K117-Y119 WeakPolarHBondContact O-CD2 3.5Å; K117-W157 VanDerWaalsContact NZ-CZ2 3.33Å
118	M	95.1	Very high	93.3	Very high	59 Å²	59	38.2 Å²	38.2	29%	0.291	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.7	-175.5	-58.7	-70.1	-63.7	0	0	110.5	L96 I109 V110 Q111 L172	L96-M118 HydrophobicContact CD1-CE 3.28Å; L96-M118 HydrophobicContact CD1-SD 3.96Å; I109-M118 HydrophobicContact CG2-CE 3.28Å; V110-M118 WeakPolarHBondContact O-CA 3.36Å; Q111-M118 HydrophobicContact CB-SD 3.64Å; Q111-M118 HydrophobicContact CG-SD 3.69Å; M118-L172 HydrophobicContact CB-CD2 3.75Å; M118-L172 HydrophobicContact CE-CD2 4.39Å
119	Y	96.8	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	166.1	-179.4	-61.4	-87	0	0	0	110.8	F93 I109 V110 K112 K117 W157 Y158 V169 V170	F93-Y119 HydrophobicContact CE1-CD2 4.2Å; I109-Y119 WeakPolarHBondContact CA-O 3.45Å; V110-Y119 PolarHBondContact N-O 2.79Å; V110-Y119 PolarHBondContact O-N 3.01Å; K112-Y119 HydrophobicContact CB-CD2 4.42Å; K112-Y119 HydrophobicContact CB-CE2 4.02Å; K117-Y119 HydrophobicContact CB-CE2 3.8Å; K117-Y119 HydrophobicContact CD-CE1 4.29Å; K117-Y119 HydrophobicContact CD-CE2 4.15Å; K117-Y119 VanDerWaalsContact CD-OH 3.28Å; K117-Y119 WeakPolarHBondContact CD-OH 3.39Å; K117-Y119 WeakPolarHBondContact CE-OH 3.49Å; K117-Y119 HydrophobicContact CG-CD2 4.43Å; K117-Y119 HydrophobicContact CG-CE1 4.4Å; K117-Y119 HydrophobicContact CG-CE2 3.68Å; K117-Y119 WeakPolarHBondContact O-CD2 3.5Å; Y119-W157 HydrophobicContact CD1-CB 4.41Å; Y119-W157 AromaticContact CD1-CD1 3.97Å; Y119-W157 HydrophobicContact CD1-CG 4.15Å; Y119-W157 HydrophobicContact CE1-CB 3.94Å; Y119-W157 AromaticContact CE1-CD1 3.67Å; Y119-W157 AromaticContact CE1-CD2 3.85Å; Y119-W157 HydrophobicContact CE1-CD2 3.85Å; Y119-W157 AromaticContact CE1-CG 3.52Å; Y119-W157 HydrophobicContact CE1-CG 3.52Å; Y119-Y158 HydrophobicContact CE1-CE2 4.09Å; Y119-Y158 HydrophobicContact CE2-CE2 4.09Å; Y119-Y158 AromaticContact CZ-CE2 3.74Å; Y119-Y158 PolarHBondContact OH-OH 2.96Å; Y119-V169 VanDerWaalsContact CB-CG1 3.42Å; Y119-V169 HydrophobicContact CD1-CG1 3.98Å; Y119-V169 HydrophobicContact CD2-CG1 4.25Å; Y119-V169 HydrophobicContact CG-CG1 3.64Å; Y119-V170 WeakPolarHBondContact CB-O 3.46Å
120	A	95.8	Very high	93.6	Very high	7 Å²	7	39.2 Å²	39.2	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	162	0	0	0	0	0	108.7	I99 V107 C108 V169 V170 L172	I99-A120 HydrophobicContact CD1-CB 4.39Å; V107-A120 HydrophobicContact CG1-CB 4.15Å; C108-A120 CarbonylContact O-C 3.58Å; C108-A120 WeakPolarHBondContact O-CA 3.3Å; A120-V169 CarbonylContact O-C 3.56Å; A120-V169 WeakPolarHBondContact O-CA 3.35Å; A120-V170 HydrophobicContact CB-CG2 3.95Å; A120-V170 PolarHBondContact N-O 3.3Å; A120-V170 PolarHBondContact O-N 2.98Å; A120-L172 HydrophobicContact CB-CD1 4.19Å
121	M	95.5	Very high	93.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.6	176.7	-179.2	-176.3	-73.5	0	0	109.3	F90 F93 V107 C108 V110 F160 F167 M168 V169	F90-M121 HydrophobicContact CD2-SD 4.26Å; F90-M121 HydrophobicContact CE2-SD 4.21Å; F93-M121 HydrophobicContact CB-CE 3.77Å; F93-M121 HydrophobicContact CD1-CE 4.14Å; F93-M121 HydrophobicContact CD2-CE 3.72Å; F93-M121 HydrophobicContact CE2-CE 4.36Å; F93-M121 HydrophobicContact CG-CE 3.59Å; V107-M121 CarbonylContact C-O 3.5Å; V107-M121 WeakPolarHBondContact CA-O 3.35Å; C108-M121 PolarHBondContact N-O 3.33Å; C108-M121 PolarHBondContact O-N 2.84Å; V110-M121 HydrophobicContact CB-CB 4.33Å; V110-M121 HydrophobicContact CB-CE 4.4Å; V110-M121 HydrophobicContact CG1-CB 3.48Å; V110-M121 VanDerWaalsContact CG1-CB 3.48Å; V110-M121 HydrophobicContact CG1-CE 3.99Å; V110-M121 HydrophobicContact CG1-CG 4.33Å; V110-M121 HydrophobicContact CG1-SD 3.98Å; V110-M121 HydrophobicContact CG2-CB 3.86Å; V110-M121 HydrophobicContact CG2-CE 4.15Å; M121-F160 HydrophobicContact CE-CZ 3.73Å; M121-F167 HydrophobicContact CG-CD1 4.19Å; M121-F167 HydrophobicContact SD-CD1 3.73Å; M121-F167 HydrophobicContact SD-CE1 4.32Å; M121-M168 CarbonylContact C-O 3.59Å; M121-M168 VanDerWaalsContact CA-O 3.32Å; M121-M168 WeakPolarHBondContact CA-O 3.26Å; M121-V169 HydrophobicContact CB-CG2 4.34Å; M121-V169 HydrophobicContact CE-CG2 3.66Å; M121-V169 HydrophobicContact CG-CG2 4.08Å
122	K	93.3	Very high	93.3	Very high	39 Å²	39	49.8 Å²	49.8	17%	0.17	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.8	167.6	-178.7	-176.3	178.9	-170.8	0	107.1	V107 M124 E141 F167 M168 N236	V107-K122 HydrophobicContact CG2-CB 4.24Å; V107-K122 HydrophobicContact CG2-CG 4.32Å; K122-M124 HydrophobicContact CD-SD 4.24Å; K122-M124 HydrophobicContact CG-CG 4.26Å; K122-M124 HydrophobicContact CG-SD 4.39Å; K122-E141 IonicContact NZ-OE1 2.68Å; K122-E141 PolarHBondContact NZ-OE1 3.21Å; K122-E141 IonicContact NZ-OE2 3.44Å; K122-E141 PolarHBondContact NZ-OE2 3.39Å; K122-F167 WeakPolarHBondContact O-CA 3.47Å; K122-M168 HydrophobicContact CB-CB 4.34Å; K122-M168 HydrophobicContact CD-SD 4.03Å; K122-M168 PolarHBondContact N-O 3.46Å; K122-M168 PolarHBondContact O-N 3.12Å; K122-N236 PolarHBondContact NZ-OD1 3.07Å
123	Y	89.6	Confident	93.2	Very high	19 Å²	19	55 Å²	55	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	170.5	62.9	-88	0	0	0	109.5	G105 K106 M166 L395	G105-Y123 WeakPolarHBondContact CA-O 3.38Å; K106-Y123 HydrophobicContact CB-CE1 3.58Å; K106-Y123 HydrophobicContact CB-CE2 4.4Å; K106-Y123 VanDerWaalsContact CB-CZ 3.46Å; K106-Y123 WeakPolarHBondContact CB-OH 3.42Å; K106-Y123 VanDerWaalsContact CD-OH 3.25Å; K106-Y123 WeakPolarHBondContact CD-OH 3.28Å; K106-Y123 HydrophobicContact CG-CE1 4.43Å; K106-Y123 WeakPolarHBondContact CG-OH 3.43Å; K106-Y123 PolarHBondContact N-O 2.89Å; K106-Y123 WeakPolarHBondContact O-CD1 3.44Å; K106-Y123 WeakPolarHBondContact O-CE1 3.46Å; K106-Y123 PolarHBondContact O-N 2.81Å; K106-Y123 VanDerWaalsContact O-N 3.08Å; Y123-M166 CarbonylContact C-O 3.53Å; Y123-M166 VanDerWaalsContact CA-O 3.32Å; Y123-M166 WeakPolarHBondContact CA-O 3.45Å; Y123-L395 HydrophobicContact CD1-CD1 4.4Å; Y123-L395 HydrophobicContact CD1-CD2 3.9Å; Y123-L395 HydrophobicContact CD2-CD1 4.39Å; Y123-L395 HydrophobicContact CD2-CD2 4.22Å; Y123-L395 HydrophobicContact CE1-CD1 3.65Å; Y123-L395 HydrophobicContact CE1-CD2 3.97Å; Y123-L395 HydrophobicContact CE1-CG 4.47Å; Y123-L395 HydrophobicContact CE2-CD1 3.65Å; Y123-L395 HydrophobicContact CE2-CD2 4.29Å; Y123-L395 HydrophobicContact CE2-CG 4.48Å; Y123-L395 HydrophobicContact CG-CD2 4.02Å; Y123-L395 WeakPolarHBondContact OH-CD1 3.14Å
124	M	93	Very high	93.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.2	-173.2	-64.5	157.9	-71.2	0	0	108.5	F104 K122 K126 V138 D165 M166 M168	F104-M124 HydrophobicContact CB-CB 4.4Å; K122-M124 HydrophobicContact CD-SD 4.24Å; K122-M124 HydrophobicContact CG-CG 4.26Å; K122-M124 HydrophobicContact CG-SD 4.39Å; M124-K126 PolarHBondContact O-N 3.05Å; M124-V138 HydrophobicContact CE-CG1 3.94Å; M124-V138 HydrophobicContact SD-CG1 3.73Å; M124-V138 HydrophobicContact SD-CG2 3.97Å; M124-D165 CarbonylContact O-C 3.34Å; M124-D165 VanDerWaalsContact O-CA 3.3Å; M124-D165 WeakPolarHBondContact O-CA 3.48Å; M124-M166 HydrophobicContact CE-CB 4.23Å; M124-M166 PolarHBondContact N-O 3.38Å; M124-M166 PolarHBondContact O-N 2.92Å; M124-M168 HydrophobicContact CE-CE 3.79Å; M124-M168 HydrophobicContact CE-CG 3.83Å; M124-M168 HydrophobicContact CE-SD 3.65Å; M124-M168 HydrophobicContact SD-CE 4.24Å; M124-M168 HydrophobicContact SD-SD 4.27Å
125	N	93.4	Very high	93.4	Very high	33 Å²	33	51.6 Å²	51.6	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.6	-177.3	-176.4	-99	0	0	0	111.3	F104 Q127 Q128 C129 E164 D165	F104-N125 PolarHBondContact O-N 3.42Å; N125-Q127 PolarHBondContact O-N 2.8Å; N125-Q127 PolarHBondContact OD1-N 3.32Å; N125-Q128 HydrophobicContact CB-CB 4.11Å; N125-Q128 HydrophobicContact CB-CG 4.11Å; N125-Q128 PolarHBondContact O-N 2.85Å; N125-Q128 WeakPolarHBondContact OD1-CG 3.25Å; N125-Q128 PolarHBondContact OD1-N 3.06Å; N125-C129 PolarHBondContact O-N 2.82Å; N125-C129 PolarHBondContact O-SG 2.88Å; N125-E164 PolarHBondContact ND2-O 3.26Å; N125-D165 WeakPolarHBondContact CA-OD1 3.23Å; N125-D165 WeakPolarHBondContact CB-OD1 3.4Å; N125-D165 PolarHBondContact ND2-OD1 2.87Å; N125-D165 VanDerWaalsContact ND2-OD1 3.12Å
126	K	93.9	Very high	93.4	Very high	3 Å²	3	57 Å²	57	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-46.5	-174.6	-69.6	179.1	170.6	-177	0	112	M124 Q128 C129 I130 D162 E164 M166 L426 I429	M124-K126 PolarHBondContact O-N 3.05Å; K126-Q128 PolarHBondContact O-N 2.79Å; K126-C129 WeakPolarHBondContact O-CB 3.31Å; K126-C129 PolarHBondContact O-N 3.25Å; K126-I130 WeakPolarHBondContact O-CG1 3.4Å; K126-I130 PolarHBondContact O-N 3.01Å; K126-D162 VanDerWaalsContact CE-O 3.22Å; K126-D162 WeakPolarHBondContact CE-O 3.27Å; K126-D162 PolarHBondContact NZ-O 3.37Å; K126-E164 PolarHBondContact N-O 2.88Å; K126-M166 HydrophobicContact CG-CE 4.41Å; K126-M166 HydrophobicContact CG-CG 4Å; K126-L426 HydrophobicContact CB-CD2 3.5Å; K126-L426 VanDerWaalsContact CB-CD2 3.5Å; K126-L426 HydrophobicContact CD-CD2 4.13Å; K126-L426 HydrophobicContact CG-CD2 4.46Å; K126-I429 HydrophobicContact CB-CD1 4.27Å; K126-I429 HydrophobicContact CD-CG2 4.04Å; K126-I429 HydrophobicContact CG-CD1 4.5Å; K126-I429 HydrophobicContact CG-CG2 4.25Å
127	Q	92.7	Very high	93.3	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-46.3	178.7	178.7	175.8	-3.5	0	0	111.5	N125 C129 I130 E131 L422	N125-Q127 PolarHBondContact O-N 2.8Å; N125-Q127 PolarHBondContact OD1-N 3.32Å; Q127-C129 VanDerWaalsContact C-N 3.29Å; Q127-C129 PolarHBondContact O-N 3.05Å; Q127-I130 PolarHBondContact O-N 2.89Å; Q127-E131 HydrophobicContact CG-CG 4.37Å; Q127-E131 VanDerWaalsContact CG-OE1 3.31Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.47Å; Q127-E131 PolarHBondContact NE2-OE1 2.88Å; Q127-E131 WeakPolarHBondContact O-CG 3.33Å; Q127-E131 PolarHBondContact O-N 3.47Å; Q127-L422 HydrophobicContact CG-CD1 4.15Å; Q127-L422 HydrophobicContact CG-CD2 4.19Å
128	Q	92.9	Very high	93.3	Very high	75 Å²	75	50.3 Å²	50.3	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-33.5	176.8	-69.1	179.5	22.5	0	0	113.1	N125 K126 R132	N125-Q128 HydrophobicContact CB-CB 4.11Å; N125-Q128 HydrophobicContact CB-CG 4.11Å; N125-Q128 PolarHBondContact O-N 2.85Å; N125-Q128 WeakPolarHBondContact OD1-CG 3.25Å; N125-Q128 PolarHBondContact OD1-N 3.06Å; K126-Q128 PolarHBondContact O-N 2.79Å; Q128-R132 WeakPolarHBondContact O-CB 3.44Å; Q128-R132 WeakPolarHBondContact O-CG 3.42Å; Q128-R132 PolarHBondContact O-N 3.4Å
129	C	93.5	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-39.7	174.1	-69.6	0	0	0	0	111.7	N125 K126 Q127 D133 E134 V135 M166	N125-C129 PolarHBondContact O-N 2.82Å; N125-C129 PolarHBondContact O-SG 2.88Å; K126-C129 WeakPolarHBondContact O-CB 3.31Å; K126-C129 PolarHBondContact O-N 3.25Å; Q127-C129 VanDerWaalsContact C-N 3.29Å; Q127-C129 PolarHBondContact O-N 3.05Å; C129-D133 PolarHBondContact O-N 3.17Å; C129-E134 PolarHBondContact O-N 3.08Å; C129-V135 HydrophobicContact CB-CG2 3.89Å; C129-M166 HydrophobicContact CB-CE 4.24Å
130	I	93.2	Very high	93.1	Very high	28 Å²	28	53.8 Å²	53.8	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-50.4	176.6	-66.3	161.6	0	0	0	110.4	K126 Q127 R132 D133 V135 L422 C425 L426 I429	K126-I130 WeakPolarHBondContact O-CG1 3.4Å; K126-I130 PolarHBondContact O-N 3.01Å; Q127-I130 PolarHBondContact O-N 2.89Å; I130-R132 PolarHBondContact O-N 3.19Å; I130-D133 PolarHBondContact O-N 3.3Å; I130-V135 HydrophobicContact CG1-CG2 3.85Å; I130-L422 HydrophobicContact CB-CD1 4.43Å; I130-L422 HydrophobicContact CD1-CD1 3.89Å; I130-L422 HydrophobicContact CG2-CD1 4.17Å; I130-C425 HydrophobicContact CD1-CB 3.64Å; I130-C425 HydrophobicContact CG1-CB 4.1Å; I130-C425 HydrophobicContact CG2-CB 4.09Å; I130-L426 HydrophobicContact CD1-CD2 3.72Å; I130-L426 HydrophobicContact CD1-CG 3.94Å; I130-I429 HydrophobicContact CD1-CD1 3.75Å; I130-I429 HydrophobicContact CG1-CD1 3.76Å
131	E	92.6	Very high	93.1	Very high	127 Å²	127	53.9 Å²	53.9	59%	0.593	24%	0.241	S	C	*	.	H	α-helix	trans	-58.9	-22.6	-178.2	-73.5	172.3	-177.8	0	0	113.4	Q127	Q127-E131 HydrophobicContact CG-CG 4.37Å; Q127-E131 VanDerWaalsContact CG-OE1 3.31Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.47Å; Q127-E131 PolarHBondContact NE2-OE1 2.88Å; Q127-E131 WeakPolarHBondContact O-CG 3.33Å; Q127-E131 PolarHBondContact O-N 3.47Å
132	R	91.4	Very high	93.1	Very high	138 Å²	138	54.1 Å²	54.1	52%	0.521	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	2.4	-179.6	-64.6	-179.6	180	-179.9	9.7	114.2	S103 F104 Q128 I130 E134	S103-R132 PolarHBondContact O-NH1 3.22Å; F104-R132 HydrophobicContact CE1-CB 4.17Å; Q128-R132 WeakPolarHBondContact O-CB 3.44Å; Q128-R132 WeakPolarHBondContact O-CG 3.42Å; Q128-R132 PolarHBondContact O-N 3.4Å; I130-R132 PolarHBondContact O-N 3.19Å; R132-E134 VanDerWaalsContact C-N 3.33Å; R132-E134 HydrophobicContact CB-CG 3.96Å; R132-E134 WeakPolarHBondContact O-CG 3.29Å; R132-E134 PolarHBondContact O-N 3.33Å
133	D	92.4	Very high	93.2	Very high	118 Å²	118	57.8 Å²	57.8	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	39.5	-176.4	-164.1	32.4	0	0	0	113.9	C129 I130	C129-D133 PolarHBondContact O-N 3.17Å; I130-D133 PolarHBondContact O-N 3.3Å
134	E	92.9	Very high	93.6	Very high	62 Å²	62	57 Å²	57	29%	0.29	26%	0.257	S	S	.	.			trans	-110	-4.4	-171.5	-72.8	-79	174.3	0	0	113.5	F104 C129 R132 R136 N137 V138	F104-E134 HydrophobicContact CE1-CB 3.85Å; F104-E134 HydrophobicContact CE1-CG 3.68Å; F104-E134 HydrophobicContact CE2-CB 4.13Å; F104-E134 HydrophobicContact CE2-CG 4.33Å; F104-E134 HydrophobicContact CZ-CB 3.54Å; F104-E134 HydrophobicContact CZ-CG 3.36Å; C129-E134 PolarHBondContact O-N 3.08Å; R132-E134 VanDerWaalsContact C-N 3.33Å; R132-E134 HydrophobicContact CB-CG 3.96Å; R132-E134 WeakPolarHBondContact O-CG 3.29Å; R132-E134 PolarHBondContact O-N 3.33Å; E134-R136 VanDerWaalsContact C-N 3.25Å; E134-R136 PolarHBondContact O-N 3.44Å; E134-N137 PolarHBondContact O-N 2.67Å; E134-N137 WeakPolarHBondContact OE2-CB 3.15Å; E134-N137 PolarHBondContact OE2-ND2 3.45Å; E134-V138 PolarHBondContact O-N 2.84Å
135	V	93.3	Very high	93.8	Very high	26 Å²	26	57.2 Å²	57.2	16%	0.158	26%	0.258	C	S	.	.	H	α-helix	trans	-53.7	-43.7	179.4	178.8	0	0	0	0	111.4	C129 I130 N137 V138 F139 I429	C129-V135 HydrophobicContact CB-CG2 3.89Å; I130-V135 HydrophobicContact CG1-CG2 3.85Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 3.19Å; V135-V138 PolarHBondContact O-N 3.33Å; V135-F139 HydrophobicContact CG1-CD1 4.44Å; V135-F139 HydrophobicContact CG1-CE1 4.23Å; V135-F139 HydrophobicContact CG1-CZ 4.28Å; V135-F139 PolarHBondContact O-N 2.83Å; V135-I429 HydrophobicContact CG1-CD1 4Å; V135-I429 HydrophobicContact CG1-CG1 3.77Å; V135-I429 HydrophobicContact CG2-CD1 3.79Å; V135-I429 HydrophobicContact CG2-CG1 4.43Å
136	R	92.3	Very high	93.9	Very high	182 Å²	182	57 Å²	57	69%	0.687	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-36	178.6	-69	179.7	176.9	163.4	0.2	112.9	E134 R140	E134-R136 VanDerWaalsContact C-N 3.25Å; E134-R136 PolarHBondContact O-N 3.44Å; R136-R140 WeakPolarHBondContact O-CB 3.47Å; R136-R140 PolarHBondContact O-N 3.09Å
137	N	91.8	Very high	94	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-72.3	-39	178.3	-66.3	-27.5	0	0	0	110.7	E134 V135 R140 E141	E134-N137 PolarHBondContact O-N 2.67Å; E134-N137 WeakPolarHBondContact OE2-CB 3.15Å; E134-N137 PolarHBondContact OE2-ND2 3.45Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 3.19Å; N137-R140 PolarHBondContact O-N 3.44Å; N137-R140 PolarHBondContact OD1-NH1 2.99Å; N137-E141 WeakPolarHBondContact O-CB 3.37Å; N137-E141 PolarHBondContact O-N 2.72Å
138	V	93.2	Very high	94.3	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-44.3	173.7	175.9	0	0	0	0	111.4	M124 E134 V135 E141 L142 M166 M168	M124-V138 HydrophobicContact CE-CG1 3.94Å; M124-V138 HydrophobicContact SD-CG1 3.73Å; M124-V138 HydrophobicContact SD-CG2 3.97Å; E134-V138 PolarHBondContact O-N 2.84Å; V135-V138 PolarHBondContact O-N 3.33Å; V138-E141 PolarHBondContact O-N 3.2Å; V138-L142 PolarHBondContact O-N 3.02Å; V138-M166 HydrophobicContact CG1-CE 4.01Å; V138-M166 HydrophobicContact CG1-SD 4.23Å; V138-M168 HydrophobicContact CG1-CE 4.03Å
139	F	94.8	Very high	94.5	Very high	36 Å²	36	60 Å²	60	16%	0.158	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-41.7	178.7	-79	17	0	0	0	111.7	V135 E141 L142 E143 M166 I429 D432 F433	V135-F139 HydrophobicContact CG1-CD1 4.44Å; V135-F139 HydrophobicContact CG1-CE1 4.23Å; V135-F139 HydrophobicContact CG1-CZ 4.28Å; V135-F139 PolarHBondContact O-N 2.83Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 2.78Å; F139-L142 WeakPolarHBondContact O-CB 3.29Å; F139-L142 PolarHBondContact O-N 2.95Å; F139-E143 WeakPolarHBondContact O-CG 3.48Å; F139-E143 PolarHBondContact O-N 2.72Å; F139-M166 HydrophobicContact CD1-SD 4.46Å; F139-M166 HydrophobicContact CE1-SD 3.73Å; F139-I429 HydrophobicContact CE1-CG2 4.4Å; F139-I429 HydrophobicContact CZ-CG2 4.15Å; F139-D432 HydrophobicContact CE2-CB 3.72Å; F139-D432 HydrophobicContact CZ-CB 4.41Å; F139-F433 HydrophobicContact CE1-CB 4.41Å; F139-F433 AromaticContact CE1-CD2 3.87Å; F139-F433 HydrophobicContact CE1-CD2 3.87Å; F139-F433 HydrophobicContact CZ-CB 4.1Å; F139-F433 HydrophobicContact CZ-CD2 4.4Å
140	R	93.9	Very high	94.7	Very high	97 Å²	97	61.7 Å²	61.7	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-42.1	173.5	-171.7	-174.1	-60.1	122.9	4.5	112.1	R136 N137 L142 E143 I144	R136-R140 WeakPolarHBondContact O-CB 3.47Å; R136-R140 PolarHBondContact O-N 3.09Å; N137-R140 PolarHBondContact O-N 3.44Å; N137-R140 PolarHBondContact OD1-NH1 2.99Å; R140-L142 VanDerWaalsContact C-N 3.33Å; R140-E143 PolarHBondContact O-N 2.83Å; R140-I144 HydrophobicContact CG-CD1 4.21Å; R140-I144 WeakPolarHBondContact O-CG1 3.28Å; R140-I144 PolarHBondContact O-N 3.25Å
141	E	95.3	Very high	94.9	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-45.1	175	-172.8	-172.4	-159.3	0	0	110.5	K122 N137 V138 F139 I144 L145 M168 F235 N236	K122-E141 IonicContact NZ-OE1 2.68Å; K122-E141 PolarHBondContact NZ-OE1 3.21Å; K122-E141 IonicContact NZ-OE2 3.44Å; K122-E141 PolarHBondContact NZ-OE2 3.39Å; N137-E141 WeakPolarHBondContact O-CB 3.37Å; N137-E141 PolarHBondContact O-N 2.72Å; V138-E141 PolarHBondContact O-N 3.2Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 2.78Å; E141-I144 PolarHBondContact O-N 2.98Å; E141-L145 HydrophobicContact CG-CD1 3.83Å; E141-L145 HydrophobicContact CG-CG 4.35Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 VanDerWaalsContact O-CG 3.26Å; E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 3.08Å; E141-M168 HydrophobicContact CB-CE 4.24Å; E141-M168 HydrophobicContact CG-CE 4.19Å; E141-M168 VanDerWaalsContact OE2-CE 3.28Å; E141-M168 WeakPolarHBondContact OE2-CE 3.36Å; E141-F235 HydrophobicContact CG-CB 4.09Å; E141-N236 PolarHBondContact OE1-OD1 3.07Å; E141-N236 PolarHBondContact OE2-OD1 2.68Å
142	L	95.4	Very high	95.2	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-50.1	175.2	-77.6	173.3	0	0	0	112.3	V138 F139 R140 I144 L145 Q146 L156 M168 F433	V138-L142 PolarHBondContact O-N 3.02Å; F139-L142 WeakPolarHBondContact O-CB 3.29Å; F139-L142 PolarHBondContact O-N 2.95Å; R140-L142 VanDerWaalsContact C-N 3.33Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 3.22Å; L142-L145 PolarHBondContact O-N 3.1Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L142-Q146 WeakPolarHBondContact O-CB 3.48Å; L142-Q146 WeakPolarHBondContact O-CG 3.49Å; L142-Q146 PolarHBondContact O-N 2.99Å; L142-L156 HydrophobicContact CD2-CD2 4.26Å; L142-M168 HydrophobicContact CB-CE 4.43Å; L142-M168 HydrophobicContact CD1-CE 4.26Å; L142-M168 HydrophobicContact CD2-CE 3.42Å; L142-M168 VanDerWaalsContact CD2-CE 3.42Å; L142-M168 HydrophobicContact CD2-CG 3.51Å; L142-M168 HydrophobicContact CD2-SD 4.21Å; L142-M168 HydrophobicContact CG-CE 3.37Å; L142-M168 HydrophobicContact CG-CG 4.46Å; L142-F433 HydrophobicContact CD1-CD2 4.08Å; L142-F433 HydrophobicContact CD1-CE2 3.44Å; L142-F433 VanDerWaalsContact CD1-CE2 3.44Å; L142-F433 HydrophobicContact CD1-CZ 3.87Å
143	E	95.7	Very high	95.6	Very high	116 Å²	116	50.2 Å²	50.2	54%	0.542	23%	0.233	S	C	.	.	H	α-helix	trans	-54.9	-47	179.1	-75.1	171.3	-173.2	0	0	111.1	F139 R140 Q146	F139-E143 WeakPolarHBondContact O-CG 3.48Å; F139-E143 PolarHBondContact O-N 2.72Å; R140-E143 PolarHBondContact O-N 2.83Å; E143-Q146 PolarHBondContact O-N 3.01Å
144	I	97.1	Very high	95.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-49	176.7	-71.5	171.1	0	0	0	110.9	R140 E141 L142 Q146 E147 I148 I212 F235 A238 I240	R140-I144 HydrophobicContact CG-CD1 4.21Å; R140-I144 WeakPolarHBondContact O-CG1 3.28Å; R140-I144 PolarHBondContact O-N 3.25Å; E141-I144 PolarHBondContact O-N 2.98Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 3.22Å; I144-Q146 VanDerWaalsContact C-N 3.27Å; I144-Q146 PolarHBondContact O-N 3.44Å; I144-E147 PolarHBondContact O-N 3.1Å; I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CG1 3.34Å; I144-I148 PolarHBondContact O-N 2.86Å; I144-I212 HydrophobicContact CG2-CD1 3.84Å; I144-I212 HydrophobicContact CG2-CG1 4.49Å; I144-F235 HydrophobicContact CG2-CB 4.43Å; I144-F235 HydrophobicContact CG2-CD1 3.84Å; I144-F235 HydrophobicContact CG2-CE1 4.47Å; I144-F235 HydrophobicContact CG2-CG 4.33Å; I144-A238 HydrophobicContact CD1-CB 3.8Å; I144-I240 HydrophobicContact CD1-CG1 4.39Å; I144-I240 HydrophobicContact CG1-CD1 4.14Å; I144-I240 HydrophobicContact CG1-CG1 4.16Å
145	L	97.6	Very high	96.1	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-24.2	-175.8	-76.4	176.7	0	0	0	114	E141 L142 I148 L156 F235 R438	E141-L145 HydrophobicContact CG-CD1 3.83Å; E141-L145 HydrophobicContact CG-CG 4.35Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 VanDerWaalsContact O-CG 3.26Å; E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 3.08Å; L142-L145 PolarHBondContact O-N 3.1Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L145-I148 HydrophobicContact CD2-CD1 4.18Å; L145-L156 HydrophobicContact CB-CB 3.87Å; L145-L156 HydrophobicContact CB-CD2 3.89Å; L145-L156 HydrophobicContact CB-CG 4.45Å; L145-F235 HydrophobicContact CD2-CD2 3.68Å; L145-F235 HydrophobicContact CD2-CE2 4.15Å; L145-F235 HydrophobicContact CD2-CG 4.24Å; L145-R438 PolarHBondContact O-NH2 2.76Å
146	Q	96.5	Very high	96.3	Very high	28 Å²	28	41.5 Å²	41.5	13%	0.131	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-39	176.1	-74.8	173.7	7.5	0	0	111.7	L142 E143 I144 L156 F436	L142-Q146 WeakPolarHBondContact O-CB 3.48Å; L142-Q146 WeakPolarHBondContact O-CG 3.49Å; L142-Q146 PolarHBondContact O-N 2.99Å; E143-Q146 PolarHBondContact O-N 3.01Å; I144-Q146 VanDerWaalsContact C-N 3.27Å; I144-Q146 PolarHBondContact O-N 3.44Å; Q146-L156 HydrophobicContact CG-CD2 3.87Å; Q146-F436 HydrophobicContact CB-CD2 4.11Å; Q146-F436 HydrophobicContact CB-CE2 4.09Å; Q146-F436 HydrophobicContact CG-CB 3.99Å; Q146-F436 HydrophobicContact CG-CD1 4.22Å; Q146-F436 HydrophobicContact CG-CD2 3.67Å; Q146-F436 HydrophobicContact CG-CE2 4.12Å; Q146-F436 HydrophobicContact CG-CG 3.71Å
147	E	95.9	Very high	96.6	Very high	147 Å²	147	34.4 Å²	34.4	69%	0.687	16%	0.161	S	C	*	.	H	α-helix	trans	-85.1	-20.4	-174.8	-62.9	-56.9	136.1	0	0	113.5	I144	I144-E147 PolarHBondContact O-N 3.1Å
148	I	97.8	Very high	96.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.149	C	C	.	.			trans	-96.9	144.5	-178	69.7	-176.3	0	0	0	113.8	I144 L145 L153 Y206 L207 Q210 I212 F235 R438	I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CG1 3.34Å; I144-I148 PolarHBondContact O-N 2.86Å; L145-I148 HydrophobicContact CD2-CD1 4.18Å; I148-L153 HydrophobicContact CD1-CD1 3.98Å; I148-L153 HydrophobicContact CG1-CD1 4.42Å; I148-Y206 WeakPolarHBondContact CA-OH 3.27Å; I148-Y206 HydrophobicContact CB-CE1 3.98Å; I148-Y206 HydrophobicContact CG2-CE1 4.22Å; I148-L207 HydrophobicContact CD1-CD2 4.21Å; I148-L207 HydrophobicContact CG2-CD2 4.43Å; I148-Q210 HydrophobicContact CG2-CB 4.48Å; I148-Q210 HydrophobicContact CG2-CG 4.33Å; I148-I212 HydrophobicContact CG2-CD1 3.51Å; I148-F235 HydrophobicContact CD1-CD1 4.22Å; I148-F235 HydrophobicContact CD1-CE1 3.7Å; I148-F235 HydrophobicContact CD1-CE2 4.03Å; I148-F235 HydrophobicContact CD1-CZ 3.59Å; I148-R438 PolarHBondContact O-NH2 3.41Å; I148-R438 VanDerWaalsContact O-NH2 3.08Å
149	E	97.7	Very high	97.1	Very high	78 Å²	78	32 Å²	32	36%	0.364	15%	0.148	S	C	.	.			trans	-153.1	118.1	169.9	-170.4	169.2	168.5	0	0	110.5	N155 Y206 R438 K442	E149-N155 WeakPolarHBondContact CA-OD1 3.08Å; E149-Y206 PolarHBondContact N-OH 2.82Å; E149-Y206 PolarHBondContact O-OH 3.16Å; E149-R438 IonicContact OE2-CZ 3.48Å; E149-R438 IonicContact OE2-NE 3.01Å; E149-R438 IonicContact OE2-NH1 3.36Å; E149-R438 PolarHBondContact OE2-NH1 2.82Å; E149-K442 VanDerWaalsContact OE1-CE 3.28Å; E149-K442 WeakPolarHBondContact OE1-CE 3.46Å; E149-K442 IonicContact OE1-NZ 3.08Å; E149-K442 PolarHBondContact OE1-NZ 3.35Å; E149-K442 WeakPolarHBondContact OE2-CE 3.35Å; E149-K442 IonicContact OE2-NZ 2.97Å
150	H	98.4	Very high	97.2	Very high	36 Å²	36	30.5 Å²	30.5	17%	0.167	14%	0.142	C	C	.	.			trans	-153.1	149.9	178.5	-176.8	-100.8	0	0	0	112.1	F152 L153 N155 Y206	H150-F152 AromaticContact CE1-CD2 3.76Å; H150-F152 PolarHBondContact ND1-N 3.11Å; H150-F152 PolarHBondContact O-N 2.78Å; H150-F152 VanDerWaalsContact O-N 3.17Å; H150-L153 HydrophobicContact CB-CB 4.3Å; H150-L153 HydrophobicContact CB-CD1 3.79Å; H150-L153 HydrophobicContact CB-CG 3.81Å; H150-L153 PolarHBondContact O-N 3.39Å; H150-N155 PolarHBondContact N-OD1 3.27Å; H150-N155 PolarHBondContact O-ND2 3.26Å; H150-N155 PolarHBondContact O-OD1 2.9Å; H150-Y206 HydrophobicContact CB-CD1 3.64Å; H150-Y206 HydrophobicContact CB-CD2 4.43Å; H150-Y206 HydrophobicContact CB-CE1 3.8Å; H150-Y206 HydrophobicContact CB-CG 3.98Å; H150-Y206 AromaticContact CD2-CG 3.76Å; H150-Y206 AromaticContact CG-CG 3.93Å
151	V	97.9	Very high	97.2	Very high	52 Å²	52	27.2 Å²	27.2	32%	0.315	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24	-171.1	76.7	0	0	0	0	113.7	H231 K364	V151-H231 PolarHBondContact O-CD2 2.89Å; V151-H231 PolarHBondContact O-NE2 2.92Å; V151-K364 HydrophobicContact CG2-CD 3.84Å; V151-K364 HydrophobicContact CG2-CG 4.1Å; V151-K364 VanDerWaalsContact O-CE 3.24Å; V151-K364 WeakPolarHBondContact O-CE 3.47Å; V151-K364 PolarHBondContact O-NZ 3.37Å
152	F	98.6	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	19.1	178	-61	-59.5	0	0	0	113	H150 E199 M200 L202 A203 H229 A230 H231 L232 L361 K364	H150-F152 AromaticContact CE1-CD2 3.76Å; H150-F152 PolarHBondContact ND1-N 3.11Å; H150-F152 PolarHBondContact O-N 2.78Å; H150-F152 VanDerWaalsContact O-N 3.17Å; F152-E199 HydrophobicContact CD1-CB 3.88Å; F152-E199 HydrophobicContact CD1-CG 4.03Å; F152-E199 HydrophobicContact CD2-CB 4.28Å; F152-E199 HydrophobicContact CE1-CB 3.92Å; F152-E199 HydrophobicContact CE1-CG 3.55Å; F152-E199 WeakPolarHBondContact CE1-OE1 3.33Å; F152-E199 HydrophobicContact CE2-CB 4.35Å; F152-E199 HydrophobicContact CE2-CG 4.26Å; F152-E199 HydrophobicContact CG-CB 4.06Å; F152-E199 HydrophobicContact CZ-CB 4.16Å; F152-E199 HydrophobicContact CZ-CG 3.68Å; F152-M200 HydrophobicContact CB-CE 4.23Å; F152-L202 HydrophobicContact CD2-CB 4.05Å; F152-L202 HydrophobicContact CD2-CD1 4.18Å; F152-L202 HydrophobicContact CE2-CB 4.37Å; F152-L202 HydrophobicContact CE2-CD1 3.64Å; F152-A203 HydrophobicContact CB-CB 4.1Å; F152-H229 HydrophobicContact CE1-CB 4.47Å; F152-A230 WeakPolarHBondContact CD1-O 3.32Å; F152-H231 CarbonylContact O-C 3.58Å; F152-H231 VanDerWaalsContact O-CA 3.27Å; F152-H231 WeakPolarHBondContact O-CA 3.38Å; F152-L232 PolarHBondContact O-N 3.01Å; F152-L361 WeakPolarHBondContact CZ-O 3.45Å; F152-K364 HydrophobicContact CE1-CD 4.34Å; F152-K364 HydrophobicContact CE1-CG 3.84Å; F152-K364 HydrophobicContact CZ-CG 4.01Å
153	L	98.6	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-111.7	154.7	168.4	-62.7	-176.3	0	0	0	109.8	I148 H150 N155 A203 Y206 L207 L232 F235	I148-L153 HydrophobicContact CD1-CD1 3.98Å; I148-L153 HydrophobicContact CG1-CD1 4.42Å; H150-L153 HydrophobicContact CB-CB 4.3Å; H150-L153 HydrophobicContact CB-CD1 3.79Å; H150-L153 HydrophobicContact CB-CG 3.81Å; H150-L153 PolarHBondContact O-N 3.39Å; L153-N155 PolarHBondContact O-N 3.49Å; L153-N155 PolarHBondContact O-ND2 3.24Å; L153-A203 HydrophobicContact CD2-CB 3.92Å; L153-Y206 HydrophobicContact CD1-CD1 3.91Å; L153-Y206 HydrophobicContact CD1-CE1 3.86Å; L153-L207 HydrophobicContact CD1-CD2 3.93Å; L153-L207 HydrophobicContact CD1-CG 4.45Å; L153-L207 HydrophobicContact CD2-CD1 4.48Å; L153-L232 WeakPolarHBondContact CA-O 3.42Å; L153-L232 HydrophobicContact CD2-CB 3.75Å; L153-L232 HydrophobicContact CD2-CD2 4.11Å; L153-L232 HydrophobicContact CD2-CG 4.28Å; L153-F235 HydrophobicContact CD1-CZ 4.21Å; L153-F235 HydrophobicContact CD2-CZ 4.01Å
154	V	98.3	Very high	96.4	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.03	14%	0.138	C	C	.	.			trans	-79.1	107.8	164.2	172.7	0	0	0	0	108.4	V170 D171 L173 L223 H231 L232	V154-V170 HydrophobicContact CG1-CB 3.72Å; V154-V170 HydrophobicContact CG1-CG2 3.67Å; V154-D171 HydrophobicContact CG1-CB 4.3Å; V154-L173 HydrophobicContact CG2-CD1 3.5Å; V154-L173 HydrophobicContact CG2-CG 4.33Å; V154-L223 HydrophobicContact CG2-CD1 4.19Å; V154-H231 HydrophobicContact CG2-CB 4.11Å; V154-L232 PolarHBondContact N-O 3.12Å
155	N	98.3	Very high	96.2	Very high	17 Å²	17	29 Å²	29	9%	0.091	14%	0.14	C	C	.	.			trans	-88.8	139.6	-171.6	-53.8	-77.3	0	0	0	111.5	E149 H150 L153 V170 D171	E149-N155 WeakPolarHBondContact CA-OD1 3.08Å; H150-N155 PolarHBondContact N-OD1 3.27Å; H150-N155 PolarHBondContact O-ND2 3.26Å; H150-N155 PolarHBondContact O-OD1 2.9Å; L153-N155 PolarHBondContact O-N 3.49Å; L153-N155 PolarHBondContact O-ND2 3.24Å; N155-V170 CarbonylContact O-C 3.59Å; N155-V170 VanDerWaalsContact O-CA 3.23Å; N155-V170 WeakPolarHBondContact O-CA 3.17Å; N155-V170 WeakPolarHBondContact O-CB 3.39Å; N155-D171 VanDerWaalsContact CB-OD2 3.27Å; N155-D171 WeakPolarHBondContact CB-OD2 3.33Å; N155-D171 PolarHBondContact N-OD2 2.82Å; N155-D171 PolarHBondContact ND2-OD2 3.31Å; N155-D171 PolarHBondContact O-N 3.17Å
156	L	98.3	Very high	96.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.1	171.3	177.2	72.7	0	0	0	110.5	L142 L145 Q146 Y158 M168 V170 F436 R438	L142-L156 HydrophobicContact CD2-CD2 4.26Å; L145-L156 HydrophobicContact CB-CB 3.87Å; L145-L156 HydrophobicContact CB-CD2 3.89Å; L145-L156 HydrophobicContact CB-CG 4.45Å; Q146-L156 HydrophobicContact CG-CD2 3.87Å; L156-Y158 VanDerWaalsContact CD1-O 3.31Å; L156-Y158 WeakPolarHBondContact CD1-O 3.37Å; L156-M168 HydrophobicContact CD1-CB 4.04Å; L156-M168 HydrophobicContact CD1-CG 4.33Å; L156-V170 HydrophobicContact CD1-CG1 4.06Å; L156-F436 HydrophobicContact CD2-CD1 3.7Å; L156-F436 HydrophobicContact CD2-CE1 4.1Å; L156-F436 HydrophobicContact CD2-CG 4.38Å; L156-F436 HydrophobicContact CG-CD1 3.92Å; L156-F436 HydrophobicContact CG-CE1 4.14Å; L156-R438 VanDerWaalsContact O-CZ 3.28Å; L156-R438 PolarHBondContact O-NE 2.81Å; L156-R438 PolarHBondContact O-NH2 3.44Å
157	W	97.9	Very high	96.1	Very high	33 Å²	33	27.4 Å²	27.4	13%	0.125	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-39.6	175.5	-73.8	84.4	0	0	0	112.8	K117 Y119 V169 D171 R438 E439	K117-W157 VanDerWaalsContact NZ-CZ2 3.33Å; Y119-W157 HydrophobicContact CD1-CB 4.41Å; Y119-W157 AromaticContact CD1-CD1 3.97Å; Y119-W157 HydrophobicContact CD1-CG 4.15Å; Y119-W157 HydrophobicContact CE1-CB 3.94Å; Y119-W157 AromaticContact CE1-CD1 3.67Å; Y119-W157 AromaticContact CE1-CD2 3.85Å; Y119-W157 HydrophobicContact CE1-CD2 3.85Å; Y119-W157 AromaticContact CE1-CG 3.52Å; Y119-W157 HydrophobicContact CE1-CG 3.52Å; W157-V169 PolarHBondContact N-O 3.28Å; W157-D171 PolarHBondContact NE1-OD1 2.7Å; W157-R438 HydrophobicContact CE3-CB 4.21Å; W157-R438 WeakPolarHBondContact O-CB 3.42Å; W157-R438 PolarHBondContact O-N 3.17Å; W157-E439 HydrophobicContact CE3-CG 4.22Å; W157-E439 HydrophobicContact CZ3-CG 4.29Å
158	Y	97.7	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143	-178.2	-42.6	-88.6	0	0	0	111.2	V88 F93 K112 Y119 L156 V169 F436 N437 E439	V88-Y158 HydrophobicContact CB-CD1 4.14Å; V88-Y158 HydrophobicContact CG1-CD1 3.85Å; V88-Y158 HydrophobicContact CG1-CE1 4.33Å; V88-Y158 HydrophobicContact CG1-CG 4.19Å; V88-Y158 HydrophobicContact CG2-CD1 4.14Å; V88-Y158 HydrophobicContact CG2-CE1 4.15Å; F93-Y158 HydrophobicContact CE1-CD2 4.36Å; F93-Y158 HydrophobicContact CE1-CE2 4.33Å; F93-Y158 AromaticContact CZ-CD2 3.75Å; F93-Y158 HydrophobicContact CZ-CD2 3.75Å; F93-Y158 AromaticContact CZ-CE2 3.98Å; F93-Y158 HydrophobicContact CZ-CE2 3.98Å; F93-Y158 HydrophobicContact CZ-CG 4.21Å; K112-Y158 WeakPolarHBondContact CD-OH 3.42Å; Y119-Y158 HydrophobicContact CE1-CE2 4.09Å; Y119-Y158 HydrophobicContact CE2-CE2 4.09Å; Y119-Y158 AromaticContact CZ-CE2 3.74Å; Y119-Y158 PolarHBondContact OH-OH 2.96Å; L156-Y158 VanDerWaalsContact CD1-O 3.31Å; L156-Y158 WeakPolarHBondContact CD1-O 3.37Å; Y158-V169 HydrophobicContact CD2-CB 3.78Å; Y158-V169 HydrophobicContact CD2-CG1 3.69Å; Y158-V169 HydrophobicContact CD2-CG2 4.46Å; Y158-V169 HydrophobicContact CE2-CG1 4.32Å; Y158-V169 HydrophobicContact CG-CB 4.41Å; Y158-V169 PolarHBondContact N-O 3.07Å; Y158-V169 PolarHBondContact O-N 3.31Å; Y158-F436 CarbonylContact C-O 3.59Å; Y158-F436 VanDerWaalsContact CA-O 3.25Å; Y158-F436 WeakPolarHBondContact CA-O 3.35Å; Y158-N437 HydrophobicContact CD1-CB 4.34Å; Y158-N437 WeakPolarHBondContact CE1-OD1 3.43Å; Y158-E439 HydrophobicContact CE1-CG 4.14Å; Y158-E439 WeakPolarHBondContact OH-CG 3.48Å; Y158-E439 PolarHBondContact OH-OE1 2.89Å; Y158-E439 PolarHBondContact OH-OE2 2.77Å
159	S	97.6	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.1	162.6	69.2	0	0	0	0	109.8	F167 V434 I435 F436	S159-F167 VanDerWaalsContact CA-O 3.29Å; S159-F167 WeakPolarHBondContact CA-O 3.39Å; S159-V434 PolarHBondContact OG-O 3.08Å; S159-I435 WeakPolarHBondContact O-CA 3.21Å; S159-I435 WeakPolarHBondContact O-CG2 3.24Å; S159-F436 PolarHBondContact N-O 2.73Å; S159-F436 PolarHBondContact O-N 3.14Å; S159-F436 VanDerWaalsContact O-N 3.1Å; S159-F436 WeakPolarHBondContact OG-CB 3.37Å; S159-F436 PolarHBondContact OG-N 3.16Å
160	F	96.5	Very high	96.1	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	173	175.4	51.9	-95.5	0	0	0	109.1	V88 F90 F93 M121 F167 V169 F433	V88-F160 HydrophobicContact CG1-CD1 4.4Å; V88-F160 HydrophobicContact CG1-CE1 4.33Å; F90-F160 HydrophobicContact CB-CE2 3.83Å; F90-F160 HydrophobicContact CD2-CE2 4.39Å; F90-F160 VanDerWaalsContact N-CE2 3.27Å; F93-F160 HydrophobicContact CD2-CE1 4.11Å; F93-F160 AromaticContact CD2-CZ 3.89Å; F93-F160 HydrophobicContact CD2-CZ 3.89Å; F93-F160 AromaticContact CE2-CE1 3.55Å; F93-F160 HydrophobicContact CE2-CE1 3.55Å; F93-F160 AromaticContact CE2-CZ 3.84Å; F93-F160 HydrophobicContact CE2-CZ 3.84Å; F93-F160 HydrophobicContact CZ-CE1 4.37Å; M121-F160 HydrophobicContact CE-CZ 3.73Å; F160-F167 HydrophobicContact CD2-CB 3.74Å; F160-F167 AromaticContact CD2-CD2 3.5Å; F160-F167 HydrophobicContact CD2-CD2 3.5Å; F160-F167 HydrophobicContact CD2-CE2 4.34Å; F160-F167 AromaticContact CD2-CG 3.81Å; F160-F167 HydrophobicContact CD2-CG 3.81Å; F160-F167 HydrophobicContact CE1-CB 4.42Å; F160-F167 HydrophobicContact CE2-CB 3.48Å; F160-F167 VanDerWaalsContact CE2-CB 3.48Å; F160-F167 HydrophobicContact CE2-CD1 4.1Å; F160-F167 AromaticContact CE2-CD2 3.49Å; F160-F167 HydrophobicContact CE2-CD2 3.49Å; F160-F167 VanDerWaalsContact CE2-CD2 3.49Å; F160-F167 HydrophobicContact CE2-CE2 4.23Å; F160-F167 AromaticContact CE2-CG 3.41Å; F160-F167 HydrophobicContact CE2-CG 3.41Å; F160-F167 VanDerWaalsContact CE2-CG 3.41Å; F160-F167 HydrophobicContact CG-CB 4.32Å; F160-F167 HydrophobicContact CZ-CB 3.87Å; F160-F167 HydrophobicContact CZ-CG 4.16Å; F160-F167 PolarHBondContact N-O 2.67Å; F160-F167 WeakPolarHBondContact O-CA 3.45Å; F160-F167 WeakPolarHBondContact O-CB 3.44Å; F160-F167 WeakPolarHBondContact O-CD2 3.39Å; F160-F167 PolarHBondContact O-N 2.93Å; F160-V169 HydrophobicContact CE1-CG2 3.82Å; F160-V169 HydrophobicContact CZ-CG2 4.16Å; F160-F433 WeakPolarHBondContact O-CZ 3.42Å
161	Q	94.6	Very high	96	Very high	28 Å²	28	17.6 Å²	17.6	13%	0.131	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.9	179.4	57	172.3	-20	0	0	110.6	D165 M166 I429 Q430 F433	Q161-D165 WeakPolarHBondContact CA-O 3.48Å; Q161-M166 HydrophobicContact CB-CG 4.35Å; Q161-I429 PolarHBondContact OE1-O 3.49Å; Q161-Q430 PolarHBondContact NE2-O 3.49Å; Q161-F433 HydrophobicContact CB-CD1 4.25Å; Q161-F433 HydrophobicContact CB-CD2 4.45Å; Q161-F433 HydrophobicContact CB-CE1 4.34Å; Q161-F433 HydrophobicContact CB-CG 4.33Å; Q161-F433 HydrophobicContact CB-CZ 4.45Å; Q161-F433 HydrophobicContact CG-CB 4.43Å; Q161-F433 HydrophobicContact CG-CD1 3.87Å; Q161-F433 HydrophobicContact CG-CE1 4.33Å; Q161-F433 HydrophobicContact CG-CG 4.08Å; Q161-F433 VanDerWaalsContact NE2-CB 3.33Å
162	D	91.6	Very high	95.9	Very high	25 Å²	25	16.7 Å²	16.7	13%	0.134	8%	0.082	C	C	.	.			trans	-126.2	-166.4	165.2	70.2	26.3	0	0	0	110.7	K126 E164 D165 F167 K398	K126-D162 VanDerWaalsContact CE-O 3.22Å; K126-D162 WeakPolarHBondContact CE-O 3.27Å; K126-D162 PolarHBondContact NZ-O 3.37Å; D162-E164 VanDerWaalsContact C-N 3.29Å; D162-E164 PolarHBondContact O-N 3.04Å; D162-E164 PolarHBondContact OD1-N 3.33Å; D162-D165 PolarHBondContact N-O 2.92Å; D162-D165 PolarHBondContact OD1-N 3.47Å; D162-F167 HydrophobicContact CB-CE2 4.2Å; D162-F167 WeakPolarHBondContact OD2-CE2 3.4Å; D162-F167 WeakPolarHBondContact OD2-CZ 3.49Å; D162-K398 IonicContact OD1-NZ 3.5Å; D162-K398 PolarHBondContact OD1-NZ 3.01Å; D162-K398 WeakPolarHBondContact OD2-CE 2.96Å; D162-K398 IonicContact OD2-NZ 3.49Å; D162-K398 PolarHBondContact OD2-NZ 2.82Å
163	E	88.4	Confident	95.7	Very high	99 Å²	99	17.9 Å²	17.9	46%	0.463	9%	0.088	S	C	.	.	S	Bend	trans	-65	-28.6	-177.7	-59.2	96.9	152.1	0	0	113.9	K406	E163-K406 IonicContact OE1-NZ 3.8Å; E163-K406 PolarHBondContact OE1-NZ 2.78Å
164	E	89.7	Confident	95.2	Very high	38 Å²	38	20.2 Å²	20.2	18%	0.178	10%	0.101	C	C	.	.	S	Bend	trans	-106	-33.6	-175.4	-67.1	-179.4	168.1	0	0	112.8	N125 K126 D162 K398 R401 L402	N125-E164 PolarHBondContact ND2-O 3.26Å; K126-E164 PolarHBondContact N-O 2.88Å; D162-E164 VanDerWaalsContact C-N 3.29Å; D162-E164 PolarHBondContact O-N 3.04Å; D162-E164 PolarHBondContact OD1-N 3.33Å; E164-K398 WeakPolarHBondContact OE2-CE 3.42Å; E164-R401 IonicContact OE1-NE 3.72Å; E164-R401 IonicContact OE2-CZ 3.65Å; E164-R401 IonicContact OE2-NE 2.67Å; E164-R401 IonicContact OE2-NH2 3.77Å; E164-R401 PolarHBondContact OE2-NH2 3.36Å; E164-L402 HydrophobicContact CG-CD2 3.91Å; E164-L402 WeakPolarHBondContact OE1-CD2 3.24Å
165	D	93.1	Very high	94.9	Very high	10 Å²	10	20 Å²	20	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.8	-166.4	-57.3	-51.1	0	0	0	113.2	M124 N125 Q161 D162 F167 K398	M124-D165 CarbonylContact O-C 3.34Å; M124-D165 VanDerWaalsContact O-CA 3.3Å; M124-D165 WeakPolarHBondContact O-CA 3.48Å; N125-D165 WeakPolarHBondContact CA-OD1 3.23Å; N125-D165 WeakPolarHBondContact CB-OD1 3.4Å; N125-D165 PolarHBondContact ND2-OD1 2.87Å; N125-D165 VanDerWaalsContact ND2-OD1 3.12Å; Q161-D165 WeakPolarHBondContact CA-O 3.48Å; D162-D165 PolarHBondContact N-O 2.92Å; D162-D165 PolarHBondContact OD1-N 3.47Å; D165-F167 HydrophobicContact CB-CE1 4.24Å; D165-F167 HydrophobicContact CB-CE2 3.9Å; D165-F167 HydrophobicContact CB-CZ 3.67Å; D165-F167 WeakPolarHBondContact O-CE2 3.46Å; D165-K398 IonicContact OD2-NZ 3.86Å; D165-K398 PolarHBondContact OD2-NZ 3.11Å
166	M	95	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.1	164.7	-66	173.7	-69.3	0	0	109.5	Y123 M124 K126 C129 V138 F139 Q161 I429 F433	Y123-M166 CarbonylContact C-O 3.53Å; Y123-M166 VanDerWaalsContact CA-O 3.32Å; Y123-M166 WeakPolarHBondContact CA-O 3.45Å; M124-M166 HydrophobicContact CE-CB 4.23Å; M124-M166 PolarHBondContact N-O 3.38Å; M124-M166 PolarHBondContact O-N 2.92Å; K126-M166 HydrophobicContact CG-CE 4.41Å; K126-M166 HydrophobicContact CG-CG 4Å; C129-M166 HydrophobicContact CB-CE 4.24Å; V138-M166 HydrophobicContact CG1-CE 4.01Å; V138-M166 HydrophobicContact CG1-SD 4.23Å; F139-M166 HydrophobicContact CD1-SD 4.46Å; F139-M166 HydrophobicContact CE1-SD 3.73Å; Q161-M166 HydrophobicContact CB-CG 4.35Å; M166-I429 HydrophobicContact CG-CG2 4.26Å; M166-I429 HydrophobicContact SD-CG2 3.79Å; M166-F433 HydrophobicContact CB-CD2 4.42Å; M166-F433 HydrophobicContact CB-CE2 3.8Å; M166-F433 HydrophobicContact CG-CD2 3.86Å; M166-F433 HydrophobicContact CG-CE2 3.75Å; M166-F433 HydrophobicContact SD-CD2 3.87Å; M166-F433 HydrophobicContact SD-CE2 4.05Å
167	F	95.4	Very high	94.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.7	-174.2	-56.6	-91.5	0	0	0	111.6	F90 M121 K122 S159 F160 D162 D165 L395	F90-F167 HydrophobicContact CD2-CD1 4.07Å; F90-F167 AromaticContact CD2-CE1 3.47Å; F90-F167 HydrophobicContact CD2-CE1 3.47Å; F90-F167 VanDerWaalsContact CD2-CE1 3.47Å; F90-F167 HydrophobicContact CD2-CE2 4.4Å; F90-F167 AromaticContact CD2-CZ 3.65Å; F90-F167 HydrophobicContact CD2-CZ 3.65Å; F90-F167 HydrophobicContact CE2-CD1 4.44Å; F90-F167 AromaticContact CE2-CE1 3.66Å; F90-F167 HydrophobicContact CE2-CE1 3.66Å; F90-F167 HydrophobicContact CE2-CZ 4.08Å; F90-F167 HydrophobicContact CG-CZ 4.4Å; M121-F167 HydrophobicContact CG-CD1 4.19Å; M121-F167 HydrophobicContact SD-CD1 3.73Å; M121-F167 HydrophobicContact SD-CE1 4.32Å; K122-F167 WeakPolarHBondContact O-CA 3.47Å; S159-F167 VanDerWaalsContact CA-O 3.29Å; S159-F167 WeakPolarHBondContact CA-O 3.39Å; F160-F167 HydrophobicContact CD2-CB 3.74Å; F160-F167 AromaticContact CD2-CD2 3.5Å; F160-F167 HydrophobicContact CD2-CD2 3.5Å; F160-F167 HydrophobicContact CD2-CE2 4.34Å; F160-F167 AromaticContact CD2-CG 3.81Å; F160-F167 HydrophobicContact CD2-CG 3.81Å; F160-F167 HydrophobicContact CE1-CB 4.42Å; F160-F167 HydrophobicContact CE2-CB 3.48Å; F160-F167 VanDerWaalsContact CE2-CB 3.48Å; F160-F167 HydrophobicContact CE2-CD1 4.1Å; F160-F167 AromaticContact CE2-CD2 3.49Å; F160-F167 HydrophobicContact CE2-CD2 3.49Å; F160-F167 VanDerWaalsContact CE2-CD2 3.49Å; F160-F167 HydrophobicContact CE2-CE2 4.23Å; F160-F167 AromaticContact CE2-CG 3.41Å; F160-F167 HydrophobicContact CE2-CG 3.41Å; F160-F167 VanDerWaalsContact CE2-CG 3.41Å; F160-F167 HydrophobicContact CG-CB 4.32Å; F160-F167 HydrophobicContact CZ-CB 3.87Å; F160-F167 HydrophobicContact CZ-CG 4.16Å; F160-F167 PolarHBondContact N-O 2.67Å; F160-F167 WeakPolarHBondContact O-CA 3.45Å; F160-F167 WeakPolarHBondContact O-CB 3.44Å; F160-F167 WeakPolarHBondContact O-CD2 3.39Å; F160-F167 PolarHBondContact O-N 2.93Å; D162-F167 HydrophobicContact CB-CE2 4.2Å; D162-F167 WeakPolarHBondContact OD2-CE2 3.4Å; D162-F167 WeakPolarHBondContact OD2-CZ 3.49Å; D165-F167 HydrophobicContact CB-CE1 4.24Å; D165-F167 HydrophobicContact CB-CE2 3.9Å; D165-F167 HydrophobicContact CB-CZ 3.67Å; D165-F167 WeakPolarHBondContact O-CE2 3.46Å; F167-L395 HydrophobicContact CE1-CD2 4.49Å
168	M	96.6	Very high	94.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.7	166.9	-69.4	164.4	177.9	0	0	108.3	M121 K122 M124 V138 E141 L142 L156	M121-M168 CarbonylContact C-O 3.59Å; M121-M168 VanDerWaalsContact CA-O 3.32Å; M121-M168 WeakPolarHBondContact CA-O 3.26Å; K122-M168 HydrophobicContact CB-CB 4.34Å; K122-M168 HydrophobicContact CD-SD 4.03Å; K122-M168 PolarHBondContact N-O 3.46Å; K122-M168 PolarHBondContact O-N 3.12Å; M124-M168 HydrophobicContact CE-CE 3.79Å; M124-M168 HydrophobicContact CE-CG 3.83Å; M124-M168 HydrophobicContact CE-SD 3.65Å; M124-M168 HydrophobicContact SD-CE 4.24Å; M124-M168 HydrophobicContact SD-SD 4.27Å; V138-M168 HydrophobicContact CG1-CE 4.03Å; E141-M168 HydrophobicContact CB-CE 4.24Å; E141-M168 HydrophobicContact CG-CE 4.19Å; E141-M168 VanDerWaalsContact OE2-CE 3.28Å; E141-M168 WeakPolarHBondContact OE2-CE 3.36Å; L142-M168 HydrophobicContact CB-CE 4.43Å; L142-M168 HydrophobicContact CD1-CE 4.26Å; L142-M168 HydrophobicContact CD2-CE 3.42Å; L142-M168 VanDerWaalsContact CD2-CE 3.42Å; L142-M168 HydrophobicContact CD2-CG 3.51Å; L142-M168 HydrophobicContact CD2-SD 4.21Å; L142-M168 HydrophobicContact CG-CE 3.37Å; L142-M168 HydrophobicContact CG-CG 4.46Å; L156-M168 HydrophobicContact CD1-CB 4.04Å; L156-M168 HydrophobicContact CD1-CG 4.33Å
169	V	97.5	Very high	94.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.3	176	-177	0	0	0	0	108.5	F93 V110 Y119 A120 M121 W157 Y158 F160	F93-V169 HydrophobicContact CE1-CG1 3.96Å; F93-V169 HydrophobicContact CE1-CG2 4.41Å; F93-V169 HydrophobicContact CE2-CG2 4.37Å; F93-V169 HydrophobicContact CZ-CG1 4.2Å; F93-V169 HydrophobicContact CZ-CG2 4.11Å; V110-V169 HydrophobicContact CG2-CG1 4.47Å; Y119-V169 VanDerWaalsContact CB-CG1 3.42Å; Y119-V169 HydrophobicContact CD1-CG1 3.98Å; Y119-V169 HydrophobicContact CD2-CG1 4.25Å; Y119-V169 HydrophobicContact CG-CG1 3.64Å; A120-V169 CarbonylContact O-C 3.56Å; A120-V169 WeakPolarHBondContact O-CA 3.35Å; M121-V169 HydrophobicContact CB-CG2 4.34Å; M121-V169 HydrophobicContact CE-CG2 3.66Å; M121-V169 HydrophobicContact CG-CG2 4.08Å; W157-V169 PolarHBondContact N-O 3.28Å; Y158-V169 HydrophobicContact CD2-CB 3.78Å; Y158-V169 HydrophobicContact CD2-CG1 3.69Å; Y158-V169 HydrophobicContact CD2-CG2 4.46Å; Y158-V169 HydrophobicContact CE2-CG1 4.32Å; Y158-V169 HydrophobicContact CG-CB 4.41Å; Y158-V169 PolarHBondContact N-O 3.07Å; Y158-V169 PolarHBondContact O-N 3.31Å; F160-V169 HydrophobicContact CE1-CG2 3.82Å; F160-V169 HydrophobicContact CZ-CG2 4.16Å
170	V	97.8	Very high	93.9	Very high	23 Å²	23	22.9 Å²	22.9	14%	0.139	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	173.1	-171.4	-55.1	0	0	0	0	111.5	Y119 A120 V154 N155 L156 L172	Y119-V170 WeakPolarHBondContact CB-O 3.46Å; A120-V170 HydrophobicContact CB-CG2 3.95Å; A120-V170 PolarHBondContact N-O 3.3Å; A120-V170 PolarHBondContact O-N 2.98Å; V154-V170 HydrophobicContact CG1-CB 3.72Å; V154-V170 HydrophobicContact CG1-CG2 3.67Å; N155-V170 CarbonylContact O-C 3.59Å; N155-V170 VanDerWaalsContact O-CA 3.23Å; N155-V170 WeakPolarHBondContact O-CA 3.17Å; N155-V170 WeakPolarHBondContact O-CB 3.39Å; L156-V170 HydrophobicContact CD1-CG1 4.06Å; V170-L172 PolarHBondContact O-N 3.38Å
171	D	97.1	Very high	93.7	Very high	32 Å²	32	23 Å²	23	17%	0.171	12%	0.116	C	C	.	.			trans	-50.8	137.2	172.7	-70.9	-39.9	0	0	0	112.3	V154 N155 W157	V154-D171 HydrophobicContact CG1-CB 4.3Å; N155-D171 VanDerWaalsContact CB-OD2 3.27Å; N155-D171 WeakPolarHBondContact CB-OD2 3.33Å; N155-D171 PolarHBondContact N-OD2 2.82Å; N155-D171 PolarHBondContact ND2-OD2 3.31Å; N155-D171 PolarHBondContact O-N 3.17Å; W157-D171 PolarHBondContact NE1-OD1 2.7Å
172	L	95.1	Very high	93.6	Very high	33 Å²	33	22.6 Å²	22.6	17%	0.173	12%	0.115	C	C	.	.			trans	-92.2	114.5	173.6	178.3	59.9	0	0	0	110.6	I99 I109 M118 A120 V170 L174	I99-L172 HydrophobicContact CD1-CD1 4.19Å; I109-L172 HydrophobicContact CD1-CD1 4.41Å; I109-L172 HydrophobicContact CG1-CD1 3.84Å; I109-L172 HydrophobicContact CG1-CD2 4.38Å; I109-L172 HydrophobicContact CG2-CD2 3.92Å; M118-L172 HydrophobicContact CB-CD2 3.75Å; M118-L172 HydrophobicContact CE-CD2 4.39Å; A120-L172 HydrophobicContact CB-CD1 4.19Å; V170-L172 PolarHBondContact O-N 3.38Å; L172-L174 HydrophobicContact CD1-CD2 4.04Å; L172-L174 HydrophobicContact CD2-CD2 3.84Å; L172-L174 HydrophobicContact CD2-CG 4.45Å; L172-L174 HydrophobicContact CG-CD2 3.81Å; L172-L174 HydrophobicContact CG-CG 4.22Å
173	L	93.9	Very high	93.7	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.131	14%	0.136	C	C	.	.			trans	-109.4	113.7	176.1	-59.4	-174.4	0	0	0	110.6	V154 L223 D225 H231	V154-L173 HydrophobicContact CG2-CD1 3.5Å; V154-L173 HydrophobicContact CG2-CG 4.33Å; L173-L223 HydrophobicContact CB-CB 3.93Å; L173-L223 HydrophobicContact CB-CD1 4.23Å; L173-L223 HydrophobicContact CD1-CB 3.5Å; L173-L223 HydrophobicContact CD1-CD1 4.24Å; L173-L223 HydrophobicContact CD1-CG 4.47Å; L173-L223 HydrophobicContact CG-CB 4.35Å; L173-D225 HydrophobicContact CD2-CB 3.88Å; L173-H231 HydrophobicContact CD1-CB 3.39Å; L173-H231 VanDerWaalsContact CD1-CG 3.48Å
174	L	88.9	Confident	93.7	Very high	50 Å²	50	27.2 Å²	27.2	26%	0.262	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.4	-169.6	-65.4	176.4	0	0	0	114	I109 L172 G176 L377	I109-L174 HydrophobicContact CD1-CD2 4.49Å; L172-L174 HydrophobicContact CD1-CD2 4.04Å; L172-L174 HydrophobicContact CD2-CD2 3.84Å; L172-L174 HydrophobicContact CD2-CG 4.45Å; L172-L174 HydrophobicContact CG-CD2 3.81Å; L172-L174 HydrophobicContact CG-CG 4.22Å; L174-G176 PolarHBondContact O-N 3.17Å; L174-L377 HydrophobicContact CD2-CD2 3.83Å
175	G	91.4	Very high	93.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.6	-178.4	0	0	0	0	0	114.2	H181 L224 H378	G175-H181 PolarHBondContact O-CE1 2.83Å; G175-H181 PolarHBondContact O-NE2 3.29Å; G175-L224 WeakPolarHBondContact CA-O 3.37Å; G175-L224 PolarHBondContact N-O 3.01Å; G175-H378 WeakPolarHBondContact O-CB 3.36Å
176	G	91.4	Very high	93.7	Very high	11 Å²	11	33.5 Å²	33.5	11%	0.113	17%	0.172	C	C	.	.			trans	74.6	176.8	-175	0	0	0	0	0	112.6	L174 L224 H378	L174-G176 PolarHBondContact O-N 3.17Å; G176-L224 PolarHBondContact O-N 2.87Å; G176-H378 WeakPolarHBondContact CA-O 3.49Å
177	D	93.8	Very high	93.6	Very high	41 Å²	41	42.5 Å²	42.5	22%	0.219	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-81.3	154.9	176.3	59.3	86.1	0	0	0	112.4	R179 Y180 H181 I222 L223	D177-R179 PolarHBondContact O-N 2.87Å; D177-R179 WeakPolarHBondContact OD1-CA 3.41Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 PolarHBondContact OD1-N 3.05Å; D177-Y180 WeakPolarHBondContact O-CB 3.33Å; D177-Y180 PolarHBondContact O-N 3.04Å; D177-Y180 PolarHBondContact OD1-N 2.83Å; D177-H181 PolarHBondContact O-CD2 3.08Å; D177-I222 CarbonylContact C-O 3.56Å; D177-I222 VanDerWaalsContact CA-O 3.29Å; D177-I222 WeakPolarHBondContact CA-O 3.39Å; D177-L223 HydrophobicContact CB-CD2 3.64Å
178	L	96.3	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-26.8	177.8	-73.7	-176.6	0	0	0	112.8	H181 L182 F188 Y196 P219 I222 L224 M284 L288	L178-H181 PolarHBondContact O-N 2.63Å; L178-L182 PolarHBondContact O-N 3.12Å; L178-F188 HydrophobicContact CD2-CE1 4.48Å; L178-F188 HydrophobicContact CD2-CZ 4.09Å; L178-Y196 HydrophobicContact CD1-CD2 4.23Å; L178-Y196 HydrophobicContact CD1-CE2 4.36Å; L178-Y196 HydrophobicContact CD2-CE2 3.85Å; L178-P219 HydrophobicContact CB-CB 3.9Å; L178-P219 WeakPolarHBondContact CB-O 3.33Å; L178-P219 PolarHBondContact N-O 3.42Å; L178-P219 VanDerWaalsContact N-O 3.08Å; L178-I222 HydrophobicContact CB-CB 4.47Å; L178-I222 HydrophobicContact CD1-CB 3.74Å; L178-I222 HydrophobicContact CD1-CG1 4.34Å; L178-I222 HydrophobicContact CD1-CG2 3.55Å; L178-I222 HydrophobicContact CG-CB 4.02Å; L178-I222 HydrophobicContact CG-CG2 3.94Å; L178-I222 PolarHBondContact N-O 2.94Å; L178-L224 HydrophobicContact CD2-CD1 3.79Å; L178-L224 HydrophobicContact CD2-CD2 3.89Å; L178-L224 HydrophobicContact CD2-CG 3.89Å; L178-L224 HydrophobicContact CG-CD2 4.45Å; L178-M284 HydrophobicContact CD1-SD 4.47Å; L178-L288 HydrophobicContact CB-CD2 4.32Å; L178-L288 HydrophobicContact CD1-CD1 3.94Å; L178-L288 HydrophobicContact CD1-CD2 4.19Å
179	R	95.1	Very high	93.6	Very high	37 Å²	37	45.4 Å²	45.4	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-44.4	174.8	166.5	66	63.4	-148.3	-9.3	111	D177 H181 L182 Q183 P219 D220 Y256 E287	D177-R179 PolarHBondContact O-N 2.87Å; D177-R179 WeakPolarHBondContact OD1-CA 3.41Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 PolarHBondContact OD1-N 3.05Å; R179-H181 VanDerWaalsContact C-N 3.29Å; R179-H181 PolarHBondContact O-N 2.78Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 3.29Å; R179-Q183 HydrophobicContact CG-CG 4.42Å; R179-Q183 WeakPolarHBondContact O-CG 3.18Å; R179-Q183 PolarHBondContact O-N 3.06Å; R179-P219 HydrophobicContact CB-CB 4.05Å; R179-P219 PolarHBondContact N-O 2.82Å; R179-P219 VanDerWaalsContact N-O 3.15Å; R179-D220 HydrophobicContact CB-CB 4.21Å; R179-D220 WeakPolarHBondContact CG-OD1 3.48Å; R179-D220 IonicContact CZ-OD2 2.74Å; R179-D220 IonicContact NE-OD1 3.6Å; R179-D220 PolarHBondContact NE-OD1 3.38Å; R179-D220 IonicContact NE-OD2 3.48Å; R179-D220 PolarHBondContact NE-OD2 2.82Å; R179-D220 VanDerWaalsContact NE-OD2 3.11Å; R179-D220 IonicContact NH2-OD2 3.68Å; R179-D220 PolarHBondContact NH2-OD2 2.83Å; R179-Y256 PolarHBondContact NH2-OH 3.35Å; R179-E287 IonicContact CZ-OE1 2.83Å; R179-E287 IonicContact NH1-OE1 3.4Å; R179-E287 PolarHBondContact NH1-OE1 2.82Å; R179-E287 IonicContact NH2-OE1 2.87Å; R179-E287 IonicContact NH2-OE2 3.29Å
180	Y	91.8	Very high	93.6	Very high	22 Å²	22	47.3 Å²	47.3	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-55.4	-47.6	176.7	174.8	-94.2	0	0	0	110.6	D177 L182 Q183 Q184 H378	D177-Y180 WeakPolarHBondContact O-CB 3.33Å; D177-Y180 PolarHBondContact O-N 3.04Å; D177-Y180 PolarHBondContact OD1-N 2.83Å; Y180-L182 PolarHBondContact O-N 2.85Å; Y180-Q183 WeakPolarHBondContact O-CB 3.43Å; Y180-Q183 PolarHBondContact O-N 2.88Å; Y180-Q183 VanDerWaalsContact O-N 3.15Å; Y180-Q184 HydrophobicContact CD1-CG 4.22Å; Y180-Q184 HydrophobicContact CE1-CG 3.78Å; Y180-Q184 HydrophobicContact CE2-CG 4.32Å; Y180-Q184 WeakPolarHBondContact O-CG 3.16Å; Y180-Q184 PolarHBondContact O-N 3.31Å; Y180-H378 HydrophobicContact CD1-CB 3.7Å; Y180-H378 HydrophobicContact CE1-CB 3.6Å; Y180-H378 AromaticContact CE1-ND1 3.61Å
181	H	93.3	Very high	93.5	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-40.1	179.6	-66.8	-67.2	0	0	0	112.6	G175 D177 L178 R179 Q183 Q184 N185 V186 F188 F370 H378	G175-H181 PolarHBondContact O-CE1 2.83Å; G175-H181 PolarHBondContact O-NE2 3.29Å; D177-H181 PolarHBondContact O-CD2 3.08Å; L178-H181 PolarHBondContact O-N 2.63Å; R179-H181 VanDerWaalsContact C-N 3.29Å; R179-H181 PolarHBondContact O-N 2.78Å; H181-Q183 VanDerWaalsContact C-N 3.35Å; H181-Q183 PolarHBondContact O-N 2.63Å; H181-Q184 PolarHBondContact O-N 2.85Å; H181-N185 PolarHBondContact O-N 2.86Å; H181-V186 HydrophobicContact CB-CB 4.22Å; H181-V186 HydrophobicContact CB-CG2 4.03Å; H181-V186 VanDerWaalsContact O-CB 3.3Å; H181-V186 WeakPolarHBondContact O-CB 3.42Å; H181-V186 VanDerWaalsContact O-CG2 3.31Å; H181-V186 WeakPolarHBondContact O-CG2 3.47Å; H181-V186 PolarHBondContact O-N 2.91Å; H181-V186 VanDerWaalsContact O-N 3.09Å; H181-F188 HydrophobicContact CB-CE2 4.35Å; H181-F188 HydrophobicContact CB-CZ 3.73Å; H181-F370 AromaticContact CE1-CZ 3.89Å; H181-F370 AromaticContact ND1-CE1 3.95Å; H181-F370 AromaticContact ND1-CZ 3.52Å; H181-H378 AromaticContact CE1-CG 3.98Å
182	L	93.3	Very high	93.5	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-43.7	171.8	-78.6	172.3	0	0	0	112.2	L178 R179 Y180 Q184 N185 F188 P219 E287 L288	L178-L182 PolarHBondContact O-N 3.12Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 3.29Å; Y180-L182 PolarHBondContact O-N 2.85Å; L182-Q184 VanDerWaalsContact C-N 3.25Å; L182-Q184 PolarHBondContact O-N 3.17Å; L182-N185 WeakPolarHBondContact O-CA 3.47Å; L182-N185 PolarHBondContact O-N 2.78Å; L182-F188 HydrophobicContact CD2-CE2 4.39Å; L182-P219 HydrophobicContact CD1-CB 3.92Å; L182-P219 HydrophobicContact CD1-CG 3.82Å; L182-E287 HydrophobicContact CD1-CG 3.96Å; L182-L288 HydrophobicContact CD1-CD2 4.05Å; L182-L288 HydrophobicContact CD2-CD2 4.21Å; L182-L288 HydrophobicContact CG-CD2 4.05Å
183	Q	92.3	Very high	93.6	Very high	123 Å²	123	47.3 Å²	47.3	58%	0.575	24%	0.241	S	C	*	.	H	α-helix	trans	-66.1	-27.3	177.8	-71.1	173.6	-9.3	0	0	112.9	R179 Y180 H181 N185	R179-Q183 HydrophobicContact CG-CG 4.42Å; R179-Q183 WeakPolarHBondContact O-CG 3.18Å; R179-Q183 PolarHBondContact O-N 3.06Å; Y180-Q183 WeakPolarHBondContact O-CB 3.43Å; Y180-Q183 PolarHBondContact O-N 2.88Å; Y180-Q183 VanDerWaalsContact O-N 3.15Å; H181-Q183 VanDerWaalsContact C-N 3.35Å; H181-Q183 PolarHBondContact O-N 2.63Å; Q183-N185 PolarHBondContact O-N 2.87Å
184	Q	89.2	Confident	93.8	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	9.7	171.4	-60.4	-49.8	-68	0	0	113.2	Y180 H181 L182 V186	Y180-Q184 HydrophobicContact CD1-CG 4.22Å; Y180-Q184 HydrophobicContact CE1-CG 3.78Å; Y180-Q184 HydrophobicContact CE2-CG 4.32Å; Y180-Q184 WeakPolarHBondContact O-CG 3.16Å; Y180-Q184 PolarHBondContact O-N 3.31Å; H181-Q184 PolarHBondContact O-N 2.85Å; L182-Q184 VanDerWaalsContact C-N 3.25Å; L182-Q184 PolarHBondContact O-N 3.17Å; Q184-V186 HydrophobicContact CB-CG2 4.44Å; Q184-V186 PolarHBondContact O-N 2.96Å
185	N	90.6	Very high	94.2	Very high	142 Å²	142	47 Å²	47	76%	0.759	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	31.9	-177.8	-57.8	110.9	0	0	0	113.7	H181 L182 Q183 Q187	H181-N185 PolarHBondContact O-N 2.86Å; L182-N185 WeakPolarHBondContact O-CA 3.47Å; L182-N185 PolarHBondContact O-N 2.78Å; Q183-N185 PolarHBondContact O-N 2.87Å; N185-Q187 PolarHBondContact O-N 3.36Å
186	V	92.8	Very high	94.6	Very high	38 Å²	38	47 Å²	47	23%	0.23	24%	0.235	C	C	.	.			trans	-61.1	130.2	170.3	174.2	0	0	0	0	108.9	H181 Q184 F188 F370	H181-V186 HydrophobicContact CB-CB 4.22Å; H181-V186 HydrophobicContact CB-CG2 4.03Å; H181-V186 VanDerWaalsContact O-CB 3.3Å; H181-V186 WeakPolarHBondContact O-CB 3.42Å; H181-V186 VanDerWaalsContact O-CG2 3.31Å; H181-V186 WeakPolarHBondContact O-CG2 3.47Å; H181-V186 PolarHBondContact O-N 2.91Å; H181-V186 VanDerWaalsContact O-N 3.09Å; Q184-V186 HydrophobicContact CB-CG2 4.44Å; Q184-V186 PolarHBondContact O-N 2.96Å; V186-F188 HydrophobicContact CB-CE2 4.28Å; V186-F188 HydrophobicContact CB-CZ 4.27Å; V186-F188 HydrophobicContact CG1-CD1 4.1Å; V186-F188 HydrophobicContact CG1-CD2 4.29Å; V186-F188 HydrophobicContact CG1-CE1 3.79Å; V186-F188 HydrophobicContact CG1-CE2 3.98Å; V186-F188 HydrophobicContact CG1-CG 4.36Å; V186-F188 HydrophobicContact CG1-CZ 3.74Å; V186-F370 HydrophobicContact CG1-CD2 4.07Å; V186-F370 HydrophobicContact CG1-CE2 3.54Å; V186-F370 HydrophobicContact CG1-CZ 4.03Å; V186-F370 HydrophobicContact CG2-CE2 4.33Å; V186-F370 HydrophobicContact CG2-CZ 4.39Å
187	Q	91.7	Very high	94.9	Very high	189 Å²	189	46.5 Å²	46.5	88%	0.883	23%	0.23	S	C	*	.			trans	-98.8	111	172.4	-66.2	-175.2	-0.4	0	0	108.6	N185	N185-Q187 PolarHBondContact O-N 3.36Å
188	F	96	Very high	95.1	Very high	16 Å²	16	44.6 Å²	44.6	7%	0.07	22%	0.22	C	C	.	.			trans	-81.7	138.6	177.3	-63.8	-77.3	0	0	0	110.7	L178 H181 L182 V186 T192 V193 Y196 L288 F370	L178-F188 HydrophobicContact CD2-CE1 4.48Å; L178-F188 HydrophobicContact CD2-CZ 4.09Å; H181-F188 HydrophobicContact CB-CE2 4.35Å; H181-F188 HydrophobicContact CB-CZ 3.73Å; L182-F188 HydrophobicContact CD2-CE2 4.39Å; V186-F188 HydrophobicContact CB-CE2 4.28Å; V186-F188 HydrophobicContact CB-CZ 4.27Å; V186-F188 HydrophobicContact CG1-CD1 4.1Å; V186-F188 HydrophobicContact CG1-CD2 4.29Å; V186-F188 HydrophobicContact CG1-CE1 3.79Å; V186-F188 HydrophobicContact CG1-CE2 3.98Å; V186-F188 HydrophobicContact CG1-CG 4.36Å; V186-F188 HydrophobicContact CG1-CZ 3.74Å; F188-T192 HydrophobicContact CD1-CG2 3.8Å; F188-V193 HydrophobicContact CB-CG2 3.76Å; F188-Y196 HydrophobicContact CD1-CE2 4.16Å; F188-Y196 HydrophobicContact CE1-CE2 4.1Å; F188-L288 HydrophobicContact CD2-CB 4.16Å; F188-L288 HydrophobicContact CD2-CD2 3.83Å; F188-L288 HydrophobicContact CE2-CD2 3.62Å; F188-L288 HydrophobicContact CZ-CD2 4.35Å; F188-F370 HydrophobicContact CD1-CB 4.41Å; F188-F370 HydrophobicContact CD1-CD1 4.48Å; F188-F370 HydrophobicContact CD1-CD2 4.49Å; F188-F370 HydrophobicContact CD1-CG 4.21Å; F188-F370 HydrophobicContact CE1-CB 4.47Å; F188-F370 AromaticContact CE1-CD1 3.74Å; F188-F370 HydrophobicContact CE1-CD1 3.74Å; F188-F370 HydrophobicContact CE1-CD2 4.19Å; F188-F370 AromaticContact CE1-CE1 3.91Å; F188-F370 HydrophobicContact CE1-CE1 3.91Å; F188-F370 HydrophobicContact CE1-CE2 4.37Å; F188-F370 AromaticContact CE1-CG 3.86Å; F188-F370 HydrophobicContact CE1-CG 3.86Å; F188-F370 HydrophobicContact CE1-CZ 4.23Å; F188-F370 HydrophobicContact CZ-CE1 4.5Å
189	S	96.4	Very high	95.3	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	22%	0.22	S	C	.	.			trans	-70.7	158	171.5	67.4	0	0	0	0	110.5	D191 T192 V193	S189-D191 PolarHBondContact O-N 2.92Å; S189-T192 PolarHBondContact O-N 3.32Å; S189-T192 WeakPolarHBondContact OG-CB 3.13Å; S189-T192 PolarHBondContact OG-N 3.48Å; S189-T192 PolarHBondContact OG-OG1 2.91Å; S189-V193 PolarHBondContact O-N 2.74Å
190	E	96.6	Very high	95.4	Very high	40 Å²	40	43 Å²	43	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-35.6	170.6	-77	-169.2	-143.8	0	0	112.2	V193 R194 L289 W321 S322 M325	E190-V193 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CB 3.09Å; E190-R194 PolarHBondContact O-N 2.94Å; E190-L289 HydrophobicContact CG-CD2 3.94Å; E190-W321 WeakPolarHBondContact OE1-CA 3.37Å; E190-S322 PolarHBondContact OE1-N 2.99Å; E190-S322 WeakPolarHBondContact OE2-CB 3.35Å; E190-S322 PolarHBondContact OE2-N 3.39Å; E190-S322 PolarHBondContact OE2-OG 3.17Å; E190-M325 HydrophobicContact CB-CE 4.25Å; E190-M325 HydrophobicContact CG-CG 4.47Å; E190-M325 WeakPolarHBondContact O-CE 3.2Å; E190-M325 VanDerWaalsContact OE2-CB 3.23Å; E190-M325 WeakPolarHBondContact OE2-CB 3.36Å
191	D	96.2	Very high	95.8	Very high	84 Å²	84	41.9 Å²	41.9	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-67.7	-40.1	179.2	-61.5	-16.5	0	0	0	111.5	S189 R194 L195 D369	S189-D191 PolarHBondContact O-N 2.92Å; D191-R194 WeakPolarHBondContact O-CB 3.41Å; D191-R194 PolarHBondContact O-N 3.32Å; D191-R194 IonicContact OD1-CZ 3.25Å; D191-R194 IonicContact OD1-NH1 3.96Å; D191-R194 PolarHBondContact OD1-NH1 3.28Å; D191-R194 IonicContact OD1-NH2 3.74Å; D191-R194 PolarHBondContact OD1-NH2 3.29Å; D191-L195 PolarHBondContact O-N 3.06Å; D191-D369 WeakPolarHBondContact CB-OD2 3.44Å
192	T	97.1	Very high	96	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-48.3	173.3	-57	0	0	0	0	111.3	F188 S189 R194 L195 Y196 F370	F188-T192 HydrophobicContact CD1-CG2 3.8Å; S189-T192 PolarHBondContact O-N 3.32Å; S189-T192 WeakPolarHBondContact OG-CB 3.13Å; S189-T192 PolarHBondContact OG-N 3.48Å; S189-T192 PolarHBondContact OG-OG1 2.91Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 3.17Å; T192-L195 WeakPolarHBondContact O-CB 3.06Å; T192-L195 PolarHBondContact O-N 2.89Å; T192-Y196 HydrophobicContact CG2-CD2 4.14Å; T192-Y196 HydrophobicContact CG2-CE1 4.2Å; T192-Y196 HydrophobicContact CG2-CE2 3.5Å; T192-Y196 VanDerWaalsContact CG2-CE2 3.5Å; T192-Y196 PolarHBondContact O-N 3.17Å; T192-F370 HydrophobicContact CG2-CB 3.76Å
193	V	98	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-36.7	-179.9	176.4	0	0	0	0	110.9	F188 S189 E190 L195 Y196 I197 A285 L288 L289	F188-V193 HydrophobicContact CB-CG2 3.76Å; S189-V193 PolarHBondContact O-N 2.74Å; E190-V193 PolarHBondContact O-N 3.17Å; V193-L195 VanDerWaalsContact C-N 3.31Å; V193-L195 PolarHBondContact O-N 3.37Å; V193-Y196 PolarHBondContact O-N 3.37Å; V193-I197 HydrophobicContact CG1-CD1 4.17Å; V193-I197 HydrophobicContact CG1-CG1 4.46Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.41Å; V193-I197 PolarHBondContact O-N 2.91Å; V193-A285 HydrophobicContact CG1-CB 3.81Å; V193-L288 HydrophobicContact CG2-CB 3.76Å; V193-L289 HydrophobicContact CB-CD2 3.88Å; V193-L289 HydrophobicContact CB-CG 4.12Å; V193-L289 HydrophobicContact CG1-CD1 4.28Å; V193-L289 HydrophobicContact CG1-CD2 4.34Å; V193-L289 HydrophobicContact CG1-CG 4.02Å; V193-L289 HydrophobicContact CG2-CD2 3.58Å; V193-L289 HydrophobicContact CG2-CG 3.87Å
194	R	97.8	Very high	96.6	Very high	53 Å²	53	36.2 Å²	36.2	20%	0.2	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-45.4	173.5	-168.6	-174.3	-60	107.9	10.5	111.1	E190 D191 T192 I197 C198 M325 A352 L353	E190-R194 WeakPolarHBondContact O-CB 3.09Å; E190-R194 PolarHBondContact O-N 2.94Å; D191-R194 WeakPolarHBondContact O-CB 3.41Å; D191-R194 PolarHBondContact O-N 3.32Å; D191-R194 IonicContact OD1-CZ 3.25Å; D191-R194 IonicContact OD1-NH1 3.96Å; D191-R194 PolarHBondContact OD1-NH1 3.28Å; D191-R194 IonicContact OD1-NH2 3.74Å; D191-R194 PolarHBondContact OD1-NH2 3.29Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 3.17Å; R194-I197 PolarHBondContact O-N 3.49Å; R194-C198 PolarHBondContact O-N 3.02Å; R194-C198 PolarHBondContact O-SG 2.68Å; R194-M325 HydrophobicContact CB-CE 4.14Å; R194-A352 WeakPolarHBondContact CD-O 3.32Å; R194-A352 PolarHBondContact NE-O 3.29Å; R194-A352 VanDerWaalsContact NE-O 3.08Å; R194-L353 HydrophobicContact CG-CD2 3.14Å
195	L	97.9	Very high	97	Very high	16 Å²	16	34.5 Å²	34.5	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-48.5	176.5	-179.8	61	0	0	0	111.5	D191 T192 V193 I197 C198 E199 L361 V366 P368	D191-L195 PolarHBondContact O-N 3.06Å; T192-L195 WeakPolarHBondContact O-CB 3.06Å; T192-L195 PolarHBondContact O-N 2.89Å; V193-L195 VanDerWaalsContact C-N 3.31Å; V193-L195 PolarHBondContact O-N 3.37Å; L195-I197 VanDerWaalsContact C-N 3.29Å; L195-I197 PolarHBondContact O-N 3.17Å; L195-C198 WeakPolarHBondContact O-CA 3.45Å; L195-C198 WeakPolarHBondContact O-CB 3.36Å; L195-C198 PolarHBondContact O-N 2.97Å; L195-E199 HydrophobicContact CD1-CG 4.2Å; L195-E199 HydrophobicContact CG-CG 4.38Å; L195-E199 WeakPolarHBondContact O-CG 3.19Å; L195-E199 PolarHBondContact O-N 3.14Å; L195-L361 HydrophobicContact CD1-CD2 3.2Å; L195-V366 HydrophobicContact CD1-CG1 4.15Å; L195-P368 HydrophobicContact CD2-CB 3.71Å; L195-P368 HydrophobicContact CD2-CG 3.77Å
196	Y	98.6	Very high	97.4	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-36.3	177.7	-62.5	-23.3	0	0	0	112.8	L178 F188 T192 V193 C198 M200 L224 G228 A230 L288 F370	L178-Y196 HydrophobicContact CD1-CD2 4.23Å; L178-Y196 HydrophobicContact CD1-CE2 4.36Å; L178-Y196 HydrophobicContact CD2-CE2 3.85Å; F188-Y196 HydrophobicContact CD1-CE2 4.16Å; F188-Y196 HydrophobicContact CE1-CE2 4.1Å; T192-Y196 HydrophobicContact CG2-CD2 4.14Å; T192-Y196 HydrophobicContact CG2-CE1 4.2Å; T192-Y196 HydrophobicContact CG2-CE2 3.5Å; T192-Y196 VanDerWaalsContact CG2-CE2 3.5Å; T192-Y196 PolarHBondContact O-N 3.17Å; V193-Y196 PolarHBondContact O-N 3.37Å; Y196-C198 VanDerWaalsContact C-N 3.34Å; Y196-M200 WeakPolarHBondContact O-CB 3.45Å; Y196-M200 VanDerWaalsContact O-CG 3.24Å; Y196-M200 WeakPolarHBondContact O-CG 3.38Å; Y196-M200 PolarHBondContact O-N 3.34Å; Y196-L224 HydrophobicContact CE1-CD2 3.93Å; Y196-G228 WeakPolarHBondContact CE1-O 3.5Å; Y196-A230 HydrophobicContact CD1-CB 3.7Å; Y196-A230 HydrophobicContact CE1-CB 4.18Å; Y196-A230 HydrophobicContact CG-CB 4.27Å; Y196-L288 HydrophobicContact CD2-CD1 4.04Å; Y196-F370 WeakPolarHBondContact OH-CD1 3.45Å
197	I	98.7	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-46.1	171.5	-67.7	165.7	0	0	0	110.3	V193 R194 L195 A201 L281 A285 M325 L328 V347	V193-I197 HydrophobicContact CG1-CD1 4.17Å; V193-I197 HydrophobicContact CG1-CG1 4.46Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.41Å; V193-I197 PolarHBondContact O-N 2.91Å; R194-I197 PolarHBondContact O-N 3.49Å; L195-I197 VanDerWaalsContact C-N 3.29Å; L195-I197 PolarHBondContact O-N 3.17Å; I197-A201 WeakPolarHBondContact O-CB 3.39Å; I197-A201 PolarHBondContact O-N 3.35Å; I197-L281 HydrophobicContact CG2-CD2 4.35Å; I197-A285 HydrophobicContact CD1-CB 3.74Å; I197-A285 HydrophobicContact CG1-CB 3.78Å; I197-M325 HydrophobicContact CD1-SD 4.36Å; I197-L328 HydrophobicContact CD1-CD2 3.93Å; I197-L328 HydrophobicContact CG2-CD2 4.34Å; I197-V347 HydrophobicContact CG2-CG1 4.36Å
198	C	98.6	Very high	97.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-44	179.7	-64.6	0	0	0	0	112.8	R194 L195 Y196 A201 L202 W358 L361	R194-C198 PolarHBondContact O-N 3.02Å; R194-C198 PolarHBondContact O-SG 2.68Å; L195-C198 WeakPolarHBondContact O-CA 3.45Å; L195-C198 WeakPolarHBondContact O-CB 3.36Å; L195-C198 PolarHBondContact O-N 2.97Å; Y196-C198 VanDerWaalsContact C-N 3.34Å; C198-A201 PolarHBondContact O-N 2.54Å; C198-L202 WeakPolarHBondContact O-CG 3.41Å; C198-L202 PolarHBondContact O-N 3.49Å; C198-L202 VanDerWaalsContact O-N 3.09Å; C198-W358 HydrophobicContact CB-CH2 3.91Å; C198-W358 HydrophobicContact CB-CZ3 3.81Å; C198-L361 HydrophobicContact CB-CD1 3.5Å; C198-L361 VanDerWaalsContact CB-CD1 3.5Å
199	E	98.7	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-44.1	179.5	-66	-178.4	151.4	0	0	111.6	F152 L195 L202 A203 H229 A230	F152-E199 HydrophobicContact CD1-CB 3.88Å; F152-E199 HydrophobicContact CD1-CG 4.03Å; F152-E199 HydrophobicContact CD2-CB 4.28Å; F152-E199 HydrophobicContact CE1-CB 3.92Å; F152-E199 HydrophobicContact CE1-CG 3.55Å; F152-E199 WeakPolarHBondContact CE1-OE1 3.33Å; F152-E199 HydrophobicContact CE2-CB 4.35Å; F152-E199 HydrophobicContact CE2-CG 4.26Å; F152-E199 HydrophobicContact CG-CB 4.06Å; F152-E199 HydrophobicContact CZ-CB 4.16Å; F152-E199 HydrophobicContact CZ-CG 3.68Å; L195-E199 HydrophobicContact CD1-CG 4.2Å; L195-E199 HydrophobicContact CG-CG 4.38Å; L195-E199 WeakPolarHBondContact O-CG 3.19Å; L195-E199 PolarHBondContact O-N 3.14Å; E199-L202 PolarHBondContact O-N 3.2Å; E199-A203 PolarHBondContact O-N 3.42Å; E199-A203 VanDerWaalsContact O-N 3.12Å; E199-H229 IonicContact OE1-CE1 3.74Å; E199-H229 IonicContact OE1-CG 3.7Å; E199-H229 IonicContact OE1-ND1 3.93Å; E199-H229 PolarHBondContact OE1-ND1 3.44Å; E199-A230 WeakPolarHBondContact OE2-CB 3.19Å; E199-A230 PolarHBondContact OE2-N 3.49Å
200	M	98.8	Very high	98	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-36	175.9	-64.6	-59	92.8	0	0	112	F152 Y196 L202 A203 L204 I222 A230 L232 L281 M284	F152-M200 HydrophobicContact CB-CE 4.23Å; Y196-M200 WeakPolarHBondContact O-CB 3.45Å; Y196-M200 VanDerWaalsContact O-CG 3.24Å; Y196-M200 WeakPolarHBondContact O-CG 3.38Å; Y196-M200 PolarHBondContact O-N 3.34Å; M200-L202 VanDerWaalsContact C-N 3.3Å; M200-L202 PolarHBondContact O-N 2.72Å; M200-A203 PolarHBondContact O-N 2.99Å; M200-A203 VanDerWaalsContact O-N 3.16Å; M200-L204 WeakPolarHBondContact O-CB 3.08Å; M200-L204 VanDerWaalsContact O-CG 3.28Å; M200-L204 WeakPolarHBondContact O-CG 3.14Å; M200-L204 PolarHBondContact O-N 3.32Å; M200-I222 HydrophobicContact CG-CD1 4.48Å; M200-I222 HydrophobicContact SD-CD1 3.47Å; M200-I222 WeakPolarHBondContact SD-CD1 3.42Å; M200-I222 HydrophobicContact SD-CG1 4.3Å; M200-I222 HydrophobicContact SD-CG2 4.37Å; M200-A230 HydrophobicContact CE-CB 3.87Å; M200-A230 VanDerWaalsContact CE-O 3.24Å; M200-A230 WeakPolarHBondContact CE-O 3.4Å; M200-L232 HydrophobicContact SD-CB 4.09Å; M200-L281 HydrophobicContact CB-CD1 3.68Å; M200-L281 HydrophobicContact CB-CD2 4.19Å; M200-L281 HydrophobicContact CG-CD1 4.17Å; M200-M284 HydrophobicContact CG-CE 4.31Å
201	A	98.7	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-41.6	174	0	0	0	0	0	111.7	I197 C198 L204 D205 W278 L344 V347	I197-A201 WeakPolarHBondContact O-CB 3.39Å; I197-A201 PolarHBondContact O-N 3.35Å; C198-A201 PolarHBondContact O-N 2.54Å; A201-L204 PolarHBondContact O-N 3.42Å; A201-D205 VanDerWaalsContact O-CB 3.26Å; A201-D205 WeakPolarHBondContact O-CB 3.45Å; A201-D205 PolarHBondContact O-N 3.34Å; A201-W278 HydrophobicContact CB-CH2 3.88Å; A201-W278 HydrophobicContact CB-CZ3 3.67Å; A201-L344 HydrophobicContact CB-CD1 4.24Å; A201-V347 HydrophobicContact CB-CG1 4.33Å
202	L	98.7	Very high	98.1	Very high	23 Å²	23	22.2 Å²	22.2	12%	0.12	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-42.3	174.2	-71.2	169.7	0	0	0	112	F152 C198 E199 M200 Y206 L344 W358 L361	F152-L202 HydrophobicContact CD2-CB 4.05Å; F152-L202 HydrophobicContact CD2-CD1 4.18Å; F152-L202 HydrophobicContact CE2-CB 4.37Å; F152-L202 HydrophobicContact CE2-CD1 3.64Å; C198-L202 WeakPolarHBondContact O-CG 3.41Å; C198-L202 PolarHBondContact O-N 3.49Å; C198-L202 VanDerWaalsContact O-N 3.09Å; E199-L202 PolarHBondContact O-N 3.2Å; M200-L202 VanDerWaalsContact C-N 3.3Å; M200-L202 PolarHBondContact O-N 2.72Å; L202-Y206 WeakPolarHBondContact O-CB 3.31Å; L202-Y206 PolarHBondContact O-N 2.96Å; L202-Y206 VanDerWaalsContact O-N 3.1Å; L202-L344 HydrophobicContact CD2-CD1 4Å; L202-L344 HydrophobicContact CD2-CD2 3.85Å; L202-L344 HydrophobicContact CG-CD1 4.48Å; L202-W358 HydrophobicContact CD1-CE3 4.28Å; L202-W358 HydrophobicContact CD2-CE3 4.1Å; L202-W358 HydrophobicContact CD2-CZ3 4.47Å; L202-W358 HydrophobicContact CG-CE3 4.13Å; L202-W358 HydrophobicContact CG-CZ3 4.19Å; L202-L361 HydrophobicContact CD1-CB 4.03Å
203	A	98.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-44.5	176.4	0	0	0	0	0	112.6	F152 L153 E199 M200 Y206 L207	F152-A203 HydrophobicContact CB-CB 4.1Å; L153-A203 HydrophobicContact CD2-CB 3.92Å; E199-A203 PolarHBondContact O-N 3.42Å; E199-A203 VanDerWaalsContact O-N 3.12Å; M200-A203 PolarHBondContact O-N 2.99Å; M200-A203 VanDerWaalsContact O-N 3.16Å; A203-Y206 PolarHBondContact O-N 3.21Å; A203-L207 WeakPolarHBondContact O-CG 3.24Å; A203-L207 PolarHBondContact O-N 2.6Å
204	L	98.7	Very high	98.2	Very high	6 Å²	6	22 Å²	22	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-69.1	-38.5	-179.5	-67.6	-176.4	0	0	0	112.4	M200 A201 Y206 L207 C208 V217 L232 D277 W278 L281	M200-L204 WeakPolarHBondContact O-CB 3.08Å; M200-L204 VanDerWaalsContact O-CG 3.28Å; M200-L204 WeakPolarHBondContact O-CG 3.14Å; M200-L204 PolarHBondContact O-N 3.32Å; A201-L204 PolarHBondContact O-N 3.42Å; L204-Y206 VanDerWaalsContact C-N 3.35Å; L204-L207 HydrophobicContact CD2-CD1 4.44Å; L204-L207 PolarHBondContact O-N 3.06Å; L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 3.3Å; L204-V217 HydrophobicContact CD2-CG2 4.08Å; L204-L232 HydrophobicContact CD2-CD2 4.16Å; L204-D277 HydrophobicContact CD1-CB 4Å; L204-D277 HydrophobicContact CD2-CB 3.76Å; L204-D277 HydrophobicContact CG-CB 4.47Å; L204-W278 HydrophobicContact CB-CZ2 4.07Å; L204-W278 HydrophobicContact CD1-CD2 4.27Å; L204-W278 HydrophobicContact CD1-CG 4.48Å; L204-L281 HydrophobicContact CD1-CB 4.34Å; L204-L281 HydrophobicContact CD1-CD2 4.16Å
205	D	98.4	Very high	98.2	Very high	63 Å²	63	20.8 Å²	20.8	34%	0.337	12%	0.115	S	C	.	.	H	α-helix	trans	-62.8	-43.5	174.5	-168.3	76.3	0	0	0	111.4	A201 C208 G209 L344	A201-D205 VanDerWaalsContact O-CB 3.26Å; A201-D205 WeakPolarHBondContact O-CB 3.45Å; A201-D205 PolarHBondContact O-N 3.34Å; D205-C208 WeakPolarHBondContact O-CB 3.48Å; D205-C208 PolarHBondContact O-N 2.81Å; D205-G209 PolarHBondContact O-N 3.39Å; D205-L344 HydrophobicContact CB-CB 3.8Å; D205-L344 HydrophobicContact CB-CD2 4.41Å; D205-L344 WeakPolarHBondContact OD1-CB 3.33Å; D205-L344 PolarHBondContact OD1-N 2.77Å
206	Y	98.6	Very high	98.2	Very high	50 Å²	50	20.7 Å²	20.7	20%	0.196	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-48.2	172.3	169.8	-96.7	0	0	0	112.2	I148 E149 H150 L153 L202 A203 L204 C208 G209 Q210	I148-Y206 WeakPolarHBondContact CA-OH 3.27Å; I148-Y206 HydrophobicContact CB-CE1 3.98Å; I148-Y206 HydrophobicContact CG2-CE1 4.22Å; E149-Y206 PolarHBondContact N-OH 2.82Å; E149-Y206 PolarHBondContact O-OH 3.16Å; H150-Y206 HydrophobicContact CB-CD1 3.64Å; H150-Y206 HydrophobicContact CB-CD2 4.43Å; H150-Y206 HydrophobicContact CB-CE1 3.8Å; H150-Y206 HydrophobicContact CB-CG 3.98Å; H150-Y206 AromaticContact CD2-CG 3.76Å; H150-Y206 AromaticContact CG-CG 3.93Å; L153-Y206 HydrophobicContact CD1-CD1 3.91Å; L153-Y206 HydrophobicContact CD1-CE1 3.86Å; L202-Y206 WeakPolarHBondContact O-CB 3.31Å; L202-Y206 PolarHBondContact O-N 2.96Å; L202-Y206 VanDerWaalsContact O-N 3.1Å; A203-Y206 PolarHBondContact O-N 3.21Å; L204-Y206 VanDerWaalsContact C-N 3.35Å; Y206-C208 VanDerWaalsContact C-N 3.31Å; Y206-C208 PolarHBondContact O-N 2.97Å; Y206-G209 PolarHBondContact O-N 3Å; Y206-G209 VanDerWaalsContact O-N 3.12Å; Y206-Q210 HydrophobicContact CE1-CG 3.97Å; Y206-Q210 HydrophobicContact CE2-CG 4.04Å; Y206-Q210 WeakPolarHBondContact O-CG 3.34Å; Y206-Q210 PolarHBondContact O-N 2.9Å; Y206-Q210 VanDerWaalsContact O-N 3.07Å
207	L	98.4	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-38.8	178.1	-70.9	178.5	0	0	0	112.3	I148 L153 A203 L204 G209 Q210 H211 I212 H214 L232 F235	I148-L207 HydrophobicContact CD1-CD2 4.21Å; I148-L207 HydrophobicContact CG2-CD2 4.43Å; L153-L207 HydrophobicContact CD1-CD2 3.93Å; L153-L207 HydrophobicContact CD1-CG 4.45Å; L153-L207 HydrophobicContact CD2-CD1 4.48Å; A203-L207 WeakPolarHBondContact O-CG 3.24Å; A203-L207 PolarHBondContact O-N 2.6Å; L204-L207 HydrophobicContact CD2-CD1 4.44Å; L204-L207 PolarHBondContact O-N 3.06Å; L207-G209 VanDerWaalsContact C-N 3.32Å; L207-G209 PolarHBondContact O-N 2.8Å; L207-Q210 CarbonylContact O-C 3.59Å; L207-Q210 WeakPolarHBondContact O-CA 3.49Å; L207-Q210 PolarHBondContact O-N 3.08Å; L207-H211 PolarHBondContact O-N 3.08Å; L207-H211 VanDerWaalsContact O-N 3.13Å; L207-I212 CarbonylContact C-O 3.57Å; L207-I212 HydrophobicContact CB-CB 4.39Å; L207-I212 HydrophobicContact CD2-CB 4.3Å; L207-I212 HydrophobicContact CD2-CD1 4.36Å; L207-I212 HydrophobicContact CD2-CG2 4.18Å; L207-I212 PolarHBondContact O-N 2.8Å; L207-H214 HydrophobicContact CD1-CB 4.38Å; L207-L232 HydrophobicContact CD1-CD2 3.94Å; L207-F235 HydrophobicContact CD1-CE1 3.87Å; L207-F235 HydrophobicContact CD1-CZ 4.15Å; L207-F235 HydrophobicContact CD2-CE1 3.73Å; L207-F235 HydrophobicContact CD2-CZ 4.1Å; L207-F235 HydrophobicContact CG-CE1 4.48Å
208	C	96.8	Very high	98.2	Very high	41 Å²	41	21.9 Å²	21.9	28%	0.277	12%	0.12	S	C	.	.	H	α-helix	trans	-59.1	-43.9	173.3	-173.5	0	0	0	0	111.2	L204 D205 Y206 Q210 H211 F274	L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 3.3Å; D205-C208 WeakPolarHBondContact O-CB 3.48Å; D205-C208 PolarHBondContact O-N 2.81Å; Y206-C208 VanDerWaalsContact C-N 3.31Å; Y206-C208 PolarHBondContact O-N 2.97Å; C208-Q210 PolarHBondContact O-N 3.46Å; C208-H211 PolarHBondContact O-N 2.98Å; C208-F274 HydrophobicContact CB-CD1 4.25Å; C208-F274 HydrophobicContact CB-CG 4.34Å
209	G	96.8	Very high	98.2	Very high	52 Å²	52	21.8 Å²	21.8	54%	0.536	12%	0.12	S	C	.	.	H	α-helix	trans	-65.5	-19.2	174.1	0	0	0	0	0	114.3	D205 Y206 L207	D205-G209 PolarHBondContact O-N 3.39Å; Y206-G209 PolarHBondContact O-N 3Å; Y206-G209 VanDerWaalsContact O-N 3.12Å; L207-G209 VanDerWaalsContact C-N 3.32Å; L207-G209 PolarHBondContact O-N 2.8Å
210	Q	97.4	Very high	98.1	Very high	79 Å²	79	24.8 Å²	24.8	37%	0.369	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10	171.2	-60.4	-54	-56.1	0	0	112.9	I148 Y206 L207 C208 I212	I148-Q210 HydrophobicContact CG2-CB 4.48Å; I148-Q210 HydrophobicContact CG2-CG 4.33Å; Y206-Q210 HydrophobicContact CE1-CG 3.97Å; Y206-Q210 HydrophobicContact CE2-CG 4.04Å; Y206-Q210 WeakPolarHBondContact O-CG 3.34Å; Y206-Q210 PolarHBondContact O-N 2.9Å; Y206-Q210 VanDerWaalsContact O-N 3.07Å; L207-Q210 CarbonylContact O-C 3.59Å; L207-Q210 WeakPolarHBondContact O-CA 3.49Å; L207-Q210 PolarHBondContact O-N 3.08Å; C208-Q210 PolarHBondContact O-N 3.46Å; Q210-I212 HydrophobicContact CB-CD1 3.85Å; Q210-I212 HydrophobicContact CB-CG1 4.41Å; Q210-I212 PolarHBondContact O-N 2.8Å
211	H	97.3	Very high	98	Very high	68 Å²	68	25.2 Å²	25.2	32%	0.315	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	26.4	-178.6	-60.1	-75.1	0	0	0	114.5	L207 C208 I240 I241 D243	L207-H211 PolarHBondContact O-N 3.08Å; L207-H211 VanDerWaalsContact O-N 3.13Å; C208-H211 PolarHBondContact O-N 2.98Å; H211-I240 HydrophobicContact CB-CG2 4.23Å; H211-I240 CarbonylContact O-C 3.57Å; H211-I240 VanDerWaalsContact O-CA 3.25Å; H211-I240 WeakPolarHBondContact O-CA 3.19Å; H211-I241 WeakPolarHBondContact CB-O 3.32Å; H211-I241 PolarHBondContact O-N 2.91Å; H211-D243 IonicContact CE1-OD1 3.87Å; H211-D243 PolarHBondContact CE1-OD1 3Å; H211-D243 IonicContact CE1-OD2 3.9Å; H211-D243 IonicContact ND1-OD1 2.63Å; H211-D243 PolarHBondContact ND1-OD1 3.33Å
212	I	98.1	Very high	98	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132	-177.7	-68.1	156.7	0	0	0	110.9	I144 I148 L207 Q210 F235 A238 T239 I240	I144-I212 HydrophobicContact CG2-CD1 3.84Å; I144-I212 HydrophobicContact CG2-CG1 4.49Å; I148-I212 HydrophobicContact CG2-CD1 3.51Å; L207-I212 CarbonylContact C-O 3.57Å; L207-I212 HydrophobicContact CB-CB 4.39Å; L207-I212 HydrophobicContact CD2-CB 4.3Å; L207-I212 HydrophobicContact CD2-CD1 4.36Å; L207-I212 HydrophobicContact CD2-CG2 4.18Å; L207-I212 PolarHBondContact O-N 2.8Å; Q210-I212 HydrophobicContact CB-CD1 3.85Å; Q210-I212 HydrophobicContact CB-CG1 4.41Å; Q210-I212 PolarHBondContact O-N 2.8Å; I212-F235 HydrophobicContact CG2-CE1 4.48Å; I212-A238 HydrophobicContact CG2-CB 4.22Å; I212-T239 WeakPolarHBondContact CA-O 3.34Å; I212-I240 HydrophobicContact CG1-CG1 3.98Å
213	I	98.1	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.6	163.5	-45.8	172.3	0	0	0	108	R215 A238 T239 I241 A247 Y272 F274 V276 D277	I213-R215 HydrophobicContact CB-CG 4.08Å; I213-R215 HydrophobicContact CG2-CG 3.52Å; I213-A238 CarbonylContact O-C 3.54Å; I213-A238 VanDerWaalsContact O-CA 3.23Å; I213-A238 WeakPolarHBondContact O-CA 3.49Å; I213-A238 WeakPolarHBondContact O-CB 3.25Å; I213-T239 HydrophobicContact CB-CG2 4.18Å; I213-T239 HydrophobicContact CD1-CG2 4.3Å; I213-T239 HydrophobicContact CG1-CG2 4.48Å; I213-T239 PolarHBondContact N-O 2.9Å; I213-T239 PolarHBondContact O-N 2.94Å; I213-I241 HydrophobicContact CD1-CD1 3.64Å; I213-I241 HydrophobicContact CD1-CG1 3.94Å; I213-I241 HydrophobicContact CD1-CG2 3.82Å; I213-I241 HydrophobicContact CG1-CD1 3.9Å; I213-I241 HydrophobicContact CG1-CG1 3.91Å; I213-I241 HydrophobicContact CG1-CG2 4.41Å; I213-A247 HydrophobicContact CD1-CB 4.45Å; I213-Y272 HydrophobicContact CD1-CD2 4.46Å; I213-Y272 HydrophobicContact CD1-CE2 4.47Å; I213-F274 HydrophobicContact CG1-CD1 3.74Å; I213-F274 HydrophobicContact CG1-CE1 4.01Å; I213-V276 HydrophobicContact CG2-CG2 3.54Å; I213-D277 WeakPolarHBondContact CG2-OD2 3.39Å
214	H	98.5	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.			trans	-75.3	-43	179	-171.6	-62.3	0	0	0	112.6	L207 D216 V217 L232 T233 D234 F235 D277	L207-H214 HydrophobicContact CD1-CB 4.38Å; H214-D216 PolarHBondContact ND1-N 2.9Å; H214-D216 PolarHBondContact O-N 3.28Å; H214-V217 HydrophobicContact CB-CG2 4.31Å; H214-L232 WeakPolarHBondContact CD2-CD2 3.33Å; H214-L232 WeakPolarHBondContact NE2-CD1 3.49Å; H214-T233 PolarHBondContact NE2-O 2.97Å; H214-T233 VanDerWaalsContact NE2-O 3.07Å; H214-D234 PolarHBondContact CE1-O 2.93Å; H214-D234 PolarHBondContact NE2-O 2.85Å; H214-F235 AromaticContact CD2-CE1 3.84Å; H214-D277 WeakPolarHBondContact CB-OD2 3.46Å; H214-D277 PolarHBondContact N-OD2 2.99Å
215	R	98.2	Very high	97.6	Very high	27 Å²	27	26.6 Å²	26.6	10%	0.102	15%	0.145	C	C	.	.			trans	65.7	5.6	178.8	-53.9	-170	-68.6	-173.4	-5.9	117	I213 I237 G252 Y272 D277	I213-R215 HydrophobicContact CB-CG 4.08Å; I213-R215 HydrophobicContact CG2-CG 3.52Å; R215-I237 HydrophobicContact CB-CD1 4.16Å; R215-I237 HydrophobicContact CB-CG1 4.43Å; R215-I237 PolarHBondContact NE-O 3.46Å; R215-I237 PolarHBondContact NH2-O 3.12Å; R215-G252 VanDerWaalsContact O-CA 3.32Å; R215-G252 WeakPolarHBondContact O-CA 3.45Å; R215-Y272 WeakPolarHBondContact CD-OH 3.26Å; R215-Y272 HydrophobicContact CG-CE2 4.33Å; R215-Y272 PolarHBondContact NH1-OH 3.12Å; R215-D277 WeakPolarHBondContact CA-OD1 3.28Å; R215-D277 PolarHBondContact N-OD1 2.86Å
216	D	97.9	Very high	97.2	Very high	14 Å²	14	29.6 Å²	29.6	8%	0.075	16%	0.157	C	C	.	.			trans	-146.8	35.7	-177.2	-147.5	29.4	0	0	0	113.8	H214 K218 N221 I237 T253	H214-D216 PolarHBondContact ND1-N 2.9Å; H214-D216 PolarHBondContact O-N 3.28Å; D216-K218 VanDerWaalsContact CG-NZ 3.32Å; D216-K218 PolarHBondContact O-N 3.16Å; D216-K218 IonicContact OD1-NZ 2.63Å; D216-K218 PolarHBondContact OD1-NZ 3.1Å; D216-K218 IonicContact OD2-NZ 2.78Å; D216-K218 PolarHBondContact OD2-NZ 3.4Å; D216-N221 PolarHBondContact O-ND2 3.2Å; D216-N221 PolarHBondContact OD2-ND2 3.24Å; D216-I237 HydrophobicContact CB-CD1 3.77Å; D216-I237 HydrophobicContact CB-CG1 3.94Å; D216-T253 WeakPolarHBondContact OD1-CB 3.49Å; D216-T253 PolarHBondContact OD1-N 3.12Å; D216-T253 PolarHBondContact OD1-OG1 2.91Å
217	V	98.8	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.			trans	-68.1	113.4	174	179.2	0	0	0	0	109.3	L204 H214 L232 D277 S280 M284	L204-V217 HydrophobicContact CD2-CG2 4.08Å; H214-V217 HydrophobicContact CB-CG2 4.31Å; V217-L232 HydrophobicContact CG2-CD1 4.24Å; V217-L232 HydrophobicContact CG2-CD2 4.46Å; V217-D277 HydrophobicContact CG2-CB 4.16Å; V217-S280 WeakPolarHBondContact O-CB 3.26Å; V217-M284 HydrophobicContact CG1-SD 4.5Å
218	K	98.4	Very high	96.8	Very high	26 Å²	26	31.9 Å²	31.9	11%	0.113	17%	0.166	C	C	.	.	S	Bend	trans	-160.7	163.3	-179.1	69.5	-165	-173.8	-153.1	0	110.1	D216 D220 N221 I222 T253 Y256	D216-K218 VanDerWaalsContact CG-NZ 3.32Å; D216-K218 PolarHBondContact O-N 3.16Å; D216-K218 IonicContact OD1-NZ 2.63Å; D216-K218 PolarHBondContact OD1-NZ 3.1Å; D216-K218 IonicContact OD2-NZ 2.78Å; D216-K218 PolarHBondContact OD2-NZ 3.4Å; K218-D220 HydrophobicContact CD-CB 4.35Å; K218-D220 HydrophobicContact CG-CB 4.03Å; K218-D220 PolarHBondContact O-N 3.48Å; K218-N221 HydrophobicContact CG-CB 4.3Å; K218-N221 PolarHBondContact O-N 2.79Å; K218-I222 PolarHBondContact O-N 3.38Å; K218-T253 HydrophobicContact CD-CG2 4.27Å; K218-T253 PolarHBondContact NZ-OG1 3.09Å; K218-Y256 HydrophobicContact CB-CD1 3.87Å; K218-Y256 HydrophobicContact CB-CD2 3.73Å; K218-Y256 HydrophobicContact CB-CE1 3.95Å; K218-Y256 HydrophobicContact CB-CE2 3.79Å; K218-Y256 HydrophobicContact CB-CG 3.79Å; K218-Y256 HydrophobicContact CD-CD2 4.32Å; K218-Y256 HydrophobicContact CD-CE2 4.44Å
219	P	98.2	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-54	-32.8	-177.9	-26.9	34.1	0	0	0	114.8	L178 R179 L182 N221 I222 M284 E287	L178-P219 HydrophobicContact CB-CB 3.9Å; L178-P219 WeakPolarHBondContact CB-O 3.33Å; L178-P219 PolarHBondContact N-O 3.42Å; L178-P219 VanDerWaalsContact N-O 3.08Å; R179-P219 HydrophobicContact CB-CB 4.05Å; R179-P219 PolarHBondContact N-O 2.82Å; R179-P219 VanDerWaalsContact N-O 3.15Å; L182-P219 HydrophobicContact CD1-CB 3.92Å; L182-P219 HydrophobicContact CD1-CG 3.82Å; P219-N221 PolarHBondContact O-N 3.39Å; P219-I222 PolarHBondContact O-N 2.95Å; P219-M284 HydrophobicContact CG-CG 3.98Å; P219-E287 WeakPolarHBondContact CG-OE2 3.28Å
220	D	95.9	Very high	96.9	Very high	63 Å²	63	27.5 Å²	27.5	34%	0.337	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-65	-27	178.7	-49.7	-115.7	0	0	0	112.7	R179 K218	R179-D220 HydrophobicContact CB-CB 4.21Å; R179-D220 WeakPolarHBondContact CG-OD1 3.48Å; R179-D220 IonicContact CZ-OD2 2.74Å; R179-D220 IonicContact NE-OD1 3.6Å; R179-D220 PolarHBondContact NE-OD1 3.38Å; R179-D220 IonicContact NE-OD2 3.48Å; R179-D220 PolarHBondContact NE-OD2 2.82Å; R179-D220 VanDerWaalsContact NE-OD2 3.11Å; R179-D220 IonicContact NH2-OD2 3.68Å; R179-D220 PolarHBondContact NH2-OD2 2.83Å; K218-D220 HydrophobicContact CD-CB 4.35Å; K218-D220 HydrophobicContact CG-CB 4.03Å; K218-D220 PolarHBondContact O-N 3.48Å
221	N	97.7	Very high	96.9	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.053	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-106.6	10.2	-176.8	-67.8	-7.6	0	0	0	112.8	D216 K218 P219 T233	D216-N221 PolarHBondContact O-ND2 3.2Å; D216-N221 PolarHBondContact OD2-ND2 3.24Å; K218-N221 HydrophobicContact CG-CB 4.3Å; K218-N221 PolarHBondContact O-N 2.79Å; P219-N221 PolarHBondContact O-N 3.39Å; N221-T233 WeakPolarHBondContact O-CG2 3.3Å; N221-T233 PolarHBondContact O-N 2.89Å
222	I	98.3	Very high	97	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.1	171.5	-54.7	-45.8	0	0	0	108.9	D177 L178 M200 K218 P219 A230 H231 L232 M284	D177-I222 CarbonylContact C-O 3.56Å; D177-I222 VanDerWaalsContact CA-O 3.29Å; D177-I222 WeakPolarHBondContact CA-O 3.39Å; L178-I222 HydrophobicContact CB-CB 4.47Å; L178-I222 HydrophobicContact CD1-CB 3.74Å; L178-I222 HydrophobicContact CD1-CG1 4.34Å; L178-I222 HydrophobicContact CD1-CG2 3.55Å; L178-I222 HydrophobicContact CG-CB 4.02Å; L178-I222 HydrophobicContact CG-CG2 3.94Å; L178-I222 PolarHBondContact N-O 2.94Å; M200-I222 HydrophobicContact CG-CD1 4.48Å; M200-I222 HydrophobicContact SD-CD1 3.47Å; M200-I222 WeakPolarHBondContact SD-CD1 3.42Å; M200-I222 HydrophobicContact SD-CG1 4.3Å; M200-I222 HydrophobicContact SD-CG2 4.37Å; K218-I222 PolarHBondContact O-N 3.38Å; P219-I222 PolarHBondContact O-N 2.95Å; I222-A230 HydrophobicContact CG2-CB 3.58Å; I222-H231 CarbonylContact C-O 3.5Å; I222-H231 WeakPolarHBondContact CA-O 3.35Å; I222-L232 HydrophobicContact CD1-CB 4.21Å; I222-L232 HydrophobicContact CD1-CD1 3.47Å; I222-L232 VanDerWaalsContact CD1-CD1 3.47Å; I222-L232 HydrophobicContact CD1-CG 4.46Å; I222-M284 HydrophobicContact CD1-SD 4.37Å; I222-M284 HydrophobicContact CG1-CE 4.5Å; I222-M284 HydrophobicContact CG1-SD 3.49Å; I222-M284 WeakPolarHBondContact CG1-SD 3.2Å
223	L	96.8	Very high	97	Very high	39 Å²	39	22 Å²	22	20%	0.204	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142	178.4	-60.3	-171.8	0	0	0	110.9	V154 L173 D177 A230 H231 T233	V154-L223 HydrophobicContact CG2-CD1 4.19Å; L173-L223 HydrophobicContact CB-CB 3.93Å; L173-L223 HydrophobicContact CB-CD1 4.23Å; L173-L223 HydrophobicContact CD1-CB 3.5Å; L173-L223 HydrophobicContact CD1-CD1 4.24Å; L173-L223 HydrophobicContact CD1-CG 4.47Å; L173-L223 HydrophobicContact CG-CB 4.35Å; D177-L223 HydrophobicContact CB-CD2 3.64Å; L223-A230 CarbonylContact O-C 3.6Å; L223-H231 PolarHBondContact N-O 3.43Å; L223-H231 PolarHBondContact O-N 3.35Å; L223-T233 HydrophobicContact CD1-CG2 3.95Å; L223-T233 HydrophobicContact CD2-CG2 4.4Å; L223-T233 HydrophobicContact CG-CG2 3.74Å
224	L	96.7	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138	174	-62.6	-176.2	0	0	0	111.1	G175 G176 L178 Y196 H229 A230 F370 P372	G175-L224 WeakPolarHBondContact CA-O 3.37Å; G175-L224 PolarHBondContact N-O 3.01Å; G176-L224 PolarHBondContact O-N 2.87Å; L178-L224 HydrophobicContact CD2-CD1 3.79Å; L178-L224 HydrophobicContact CD2-CD2 3.89Å; L178-L224 HydrophobicContact CD2-CG 3.89Å; L178-L224 HydrophobicContact CG-CD2 4.45Å; Y196-L224 HydrophobicContact CE1-CD2 3.93Å; L224-H229 WeakPolarHBondContact CA-O 3.42Å; L224-A230 HydrophobicContact CD2-CB 4.12Å; L224-F370 HydrophobicContact CD1-CD1 3.9Å; L224-F370 HydrophobicContact CD1-CE1 3.64Å; L224-P372 HydrophobicContact CB-CG 3.95Å; L224-P372 HydrophobicContact CD1-CG 3.72Å
225	D	93.8	Very high	96.7	Very high	19 Å²	19	24.3 Å²	24.3	10%	0.102	12%	0.116	C	C	.	.			trans	-78.2	-179.6	166.1	76	13.1	0	0	0	111.9	L173 R227 G228 H229 H231 K364	L173-D225 HydrophobicContact CD2-CB 3.88Å; D225-R227 PolarHBondContact O-N 2.99Å; D225-R227 VanDerWaalsContact OD1-CA 3.29Å; D225-R227 WeakPolarHBondContact OD1-CA 3.45Å; D225-R227 WeakPolarHBondContact OD1-CB 3.37Å; D225-R227 PolarHBondContact OD1-N 3.32Å; D225-G228 PolarHBondContact O-N 3.41Å; D225-G228 VanDerWaalsContact O-N 3.16Å; D225-G228 PolarHBondContact OD1-N 2.87Å; D225-H229 PolarHBondContact N-O 3.19Å; D225-H229 IonicContact OD1-CD2 3.19Å; D225-H229 PolarHBondContact OD1-N 3.32Å; D225-H229 WeakPolarHBondContact OD2-CB 3.22Å; D225-H229 IonicContact OD2-CD2 2.72Å; D225-H229 PolarHBondContact OD2-CD2 2.97Å; D225-H229 IonicContact OD2-CG 2.83Å; D225-H231 IonicContact OD2-CE1 3.81Å; D225-H231 PolarHBondContact OD2-CE1 3.36Å; D225-K364 IonicContact OD2-NZ 2.63Å
226	E	90.4	Very high	96.4	Very high	126 Å²	126	25.2 Å²	25.2	59%	0.589	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.8	180	63.3	-172.3	-166.8	0	0	114.8
227	R	92.7	Very high	96.2	Very high	100 Å²	100	27 Å²	27	38%	0.377	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-9	175.2	-61	174.4	64.1	-154.3	-4.8	111.7	D225 K364 P368	D225-R227 PolarHBondContact O-N 2.99Å; D225-R227 VanDerWaalsContact OD1-CA 3.29Å; D225-R227 WeakPolarHBondContact OD1-CA 3.45Å; D225-R227 WeakPolarHBondContact OD1-CB 3.37Å; D225-R227 PolarHBondContact OD1-N 3.32Å; R227-K364 PolarHBondContact NH1-O 3.17Å; R227-K364 PolarHBondContact NH2-O 2.93Å; R227-P368 WeakPolarHBondContact O-CD 3.36Å; R227-P368 WeakPolarHBondContact O-CG 3.27Å
228	G	95.1	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.			trans	93.9	10.6	180	0	0	0	0	0	114.6	Y196 D225	Y196-G228 WeakPolarHBondContact CE1-O 3.5Å; D225-G228 PolarHBondContact O-N 3.41Å; D225-G228 VanDerWaalsContact O-N 3.16Å; D225-G228 PolarHBondContact OD1-N 2.87Å
229	H	97.8	Very high	96	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.135	C	C	.	.			trans	-77.8	138.1	176.4	-63.9	-75.5	0	0	0	111.3	F152 E199 L224 D225 H231 V366	F152-H229 HydrophobicContact CE1-CB 4.47Å; E199-H229 IonicContact OE1-CE1 3.74Å; E199-H229 IonicContact OE1-CG 3.7Å; E199-H229 IonicContact OE1-ND1 3.93Å; E199-H229 PolarHBondContact OE1-ND1 3.44Å; L224-H229 WeakPolarHBondContact CA-O 3.42Å; D225-H229 PolarHBondContact N-O 3.19Å; D225-H229 IonicContact OD1-CD2 3.19Å; D225-H229 PolarHBondContact OD1-N 3.32Å; D225-H229 WeakPolarHBondContact OD2-CB 3.22Å; D225-H229 IonicContact OD2-CD2 2.72Å; D225-H229 PolarHBondContact OD2-CD2 2.97Å; D225-H229 IonicContact OD2-CG 2.83Å; H229-H231 PolarHBondContact O-CE1 2.97Å; H229-H231 PolarHBondContact O-ND1 3.45Å; H229-V366 PolarHBondContact CE1-O 3.44Å
230	A	98.2	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.4	179.6	0	0	0	0	0	112.1	F152 Y196 E199 M200 I222 L223 L224	F152-A230 WeakPolarHBondContact CD1-O 3.32Å; Y196-A230 HydrophobicContact CD1-CB 3.7Å; Y196-A230 HydrophobicContact CE1-CB 4.18Å; Y196-A230 HydrophobicContact CG-CB 4.27Å; E199-A230 WeakPolarHBondContact OE2-CB 3.19Å; E199-A230 PolarHBondContact OE2-N 3.49Å; M200-A230 HydrophobicContact CE-CB 3.87Å; M200-A230 VanDerWaalsContact CE-O 3.24Å; M200-A230 WeakPolarHBondContact CE-O 3.4Å; I222-A230 HydrophobicContact CG2-CB 3.58Å; L223-A230 CarbonylContact O-C 3.6Å; L224-A230 HydrophobicContact CD2-CB 4.12Å
231	H	98.7	Very high	95.7	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.5	177.1	-58.3	67	0	0	0	110.1	V151 F152 V154 L173 I222 L223 D225 H229 K364	V151-H231 PolarHBondContact O-CD2 2.89Å; V151-H231 PolarHBondContact O-NE2 2.92Å; F152-H231 CarbonylContact O-C 3.58Å; F152-H231 VanDerWaalsContact O-CA 3.27Å; F152-H231 WeakPolarHBondContact O-CA 3.38Å; V154-H231 HydrophobicContact CG2-CB 4.11Å; L173-H231 HydrophobicContact CD1-CB 3.39Å; L173-H231 VanDerWaalsContact CD1-CG 3.48Å; I222-H231 CarbonylContact C-O 3.5Å; I222-H231 WeakPolarHBondContact CA-O 3.35Å; L223-H231 PolarHBondContact N-O 3.43Å; L223-H231 PolarHBondContact O-N 3.35Å; D225-H231 IonicContact OD2-CE1 3.81Å; D225-H231 PolarHBondContact OD2-CE1 3.36Å; H229-H231 PolarHBondContact O-CE1 2.97Å; H229-H231 PolarHBondContact O-ND1 3.45Å; H231-K364 PolarHBondContact CE1-NZ 3.41Å; H231-K364 VanDerWaalsContact CE1-NZ 3.33Å; H231-K364 PolarHBondContact NE2-NZ 2.97Å
232	L	98.8	Very high	95.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137	174.8	-177.9	62.5	0	0	0	110.2	F152 L153 V154 M200 L204 L207 H214 V217 I222	F152-L232 PolarHBondContact O-N 3.01Å; L153-L232 WeakPolarHBondContact CA-O 3.42Å; L153-L232 HydrophobicContact CD2-CB 3.75Å; L153-L232 HydrophobicContact CD2-CD2 4.11Å; L153-L232 HydrophobicContact CD2-CG 4.28Å; V154-L232 PolarHBondContact N-O 3.12Å; M200-L232 HydrophobicContact SD-CB 4.09Å; L204-L232 HydrophobicContact CD2-CD2 4.16Å; L207-L232 HydrophobicContact CD1-CD2 3.94Å; H214-L232 WeakPolarHBondContact CD2-CD2 3.33Å; H214-L232 WeakPolarHBondContact NE2-CD1 3.49Å; V217-L232 HydrophobicContact CG2-CD1 4.24Å; V217-L232 HydrophobicContact CG2-CD2 4.46Å; I222-L232 HydrophobicContact CD1-CB 4.21Å; I222-L232 HydrophobicContact CD1-CD1 3.47Å; I222-L232 VanDerWaalsContact CD1-CD1 3.47Å; I222-L232 HydrophobicContact CD1-CG 4.46Å
233	T	97.2	Very high	94.7	Very high	30 Å²	30	42 Å²	42	18%	0.184	21%	0.206	C	C	.	.			trans	-137.2	174.1	178.7	-168.8	0	0	0	0	110.6	H214 N221 L223	H214-T233 PolarHBondContact NE2-O 2.97Å; H214-T233 VanDerWaalsContact NE2-O 3.07Å; N221-T233 WeakPolarHBondContact O-CG2 3.3Å; N221-T233 PolarHBondContact O-N 2.89Å; L223-T233 HydrophobicContact CD1-CG2 3.95Å; L223-T233 HydrophobicContact CD2-CG2 4.4Å; L223-T233 HydrophobicContact CG-CG2 3.74Å
234	D	93.8	Very high	94.1	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	24%	0.24	C	C	.	.			trans	70.9	79.2	171.6	-163.9	9.8	0	0	0	114.6	H214 N236	H214-D234 PolarHBondContact CE1-O 2.93Å; H214-D234 PolarHBondContact NE2-O 2.85Å; D234-N236 VanDerWaalsContact C-N 3.31Å; D234-N236 PolarHBondContact O-N 3.13Å; D234-N236 PolarHBondContact OD1-ND2 3.02Å
235	F	96.4	Very high	93.8	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	26%	0.263	C	S	.	.			trans	-90.8	14.7	-178.7	-72.1	-100.3	0	0	0	112.9	E141 I144 L145 I148 L153 L207 I212 H214 I237 A238	E141-F235 HydrophobicContact CG-CB 4.09Å; I144-F235 HydrophobicContact CG2-CB 4.43Å; I144-F235 HydrophobicContact CG2-CD1 3.84Å; I144-F235 HydrophobicContact CG2-CE1 4.47Å; I144-F235 HydrophobicContact CG2-CG 4.33Å; L145-F235 HydrophobicContact CD2-CD2 3.68Å; L145-F235 HydrophobicContact CD2-CE2 4.15Å; L145-F235 HydrophobicContact CD2-CG 4.24Å; I148-F235 HydrophobicContact CD1-CD1 4.22Å; I148-F235 HydrophobicContact CD1-CE1 3.7Å; I148-F235 HydrophobicContact CD1-CE2 4.03Å; I148-F235 HydrophobicContact CD1-CZ 3.59Å; L153-F235 HydrophobicContact CD1-CZ 4.21Å; L153-F235 HydrophobicContact CD2-CZ 4.01Å; L207-F235 HydrophobicContact CD1-CE1 3.87Å; L207-F235 HydrophobicContact CD1-CZ 4.15Å; L207-F235 HydrophobicContact CD2-CE1 3.73Å; L207-F235 HydrophobicContact CD2-CZ 4.1Å; L207-F235 HydrophobicContact CG-CE1 4.48Å; I212-F235 HydrophobicContact CG2-CE1 4.48Å; H214-F235 AromaticContact CD2-CE1 3.84Å; F235-I237 PolarHBondContact O-N 3.29Å; F235-A238 HydrophobicContact CB-CB 3.99Å; F235-A238 HydrophobicContact CD1-CB 3.77Å; F235-A238 HydrophobicContact CG-CB 4.36Å; F235-A238 WeakPolarHBondContact O-CB 3.45Å; F235-A238 PolarHBondContact O-N 3.41Å
236	N	92.3	Very high	93.8	Very high	46 Å²	46	53.5 Å²	53.5	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.1	-176.5	-73.7	-33.9	0	0	0	113.6	K122 E141 D234	K122-N236 PolarHBondContact NZ-OD1 3.07Å; E141-N236 PolarHBondContact OE1-OD1 3.07Å; E141-N236 PolarHBondContact OE2-OD1 2.68Å; D234-N236 VanDerWaalsContact C-N 3.31Å; D234-N236 PolarHBondContact O-N 3.13Å; D234-N236 PolarHBondContact OD1-ND2 3.02Å
237	I	94.6	Very high	94	Very high	52 Å²	52	48.1 Å²	48.1	27%	0.267	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	14.9	179.6	69.9	162.3	0	0	0	112.8	R215 D216 F235 G252	R215-I237 HydrophobicContact CB-CD1 4.16Å; R215-I237 HydrophobicContact CB-CG1 4.43Å; R215-I237 PolarHBondContact NE-O 3.46Å; R215-I237 PolarHBondContact NH2-O 3.12Å; D216-I237 HydrophobicContact CB-CD1 3.77Å; D216-I237 HydrophobicContact CB-CG1 3.94Å; F235-I237 PolarHBondContact O-N 3.29Å; I237-G252 VanDerWaalsContact CD1-N 3.33Å
238	A	97.1	Very high	94.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.263	C	S	.	.			trans	-65.2	159.1	173.2	0	0	0	0	0	110.8	I144 I212 I213 F235	I144-A238 HydrophobicContact CD1-CB 3.8Å; I212-A238 HydrophobicContact CG2-CB 4.22Å; I213-A238 CarbonylContact O-C 3.54Å; I213-A238 VanDerWaalsContact O-CA 3.23Å; I213-A238 WeakPolarHBondContact O-CA 3.49Å; I213-A238 WeakPolarHBondContact O-CB 3.25Å; F235-A238 HydrophobicContact CB-CB 3.99Å; F235-A238 HydrophobicContact CD1-CB 3.77Å; F235-A238 HydrophobicContact CG-CB 4.36Å; F235-A238 WeakPolarHBondContact O-CB 3.45Å; F235-A238 PolarHBondContact O-N 3.41Å
239	T	95.6	Very high	93.9	Very high	30 Å²	30	50.1 Å²	50.1	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.4	176.1	-169.2	0	0	0	0	110.6	I212 I213 I241	I212-T239 WeakPolarHBondContact CA-O 3.34Å; I213-T239 HydrophobicContact CB-CG2 4.18Å; I213-T239 HydrophobicContact CD1-CG2 4.3Å; I213-T239 HydrophobicContact CG1-CG2 4.48Å; I213-T239 PolarHBondContact N-O 2.9Å; I213-T239 PolarHBondContact O-N 2.94Å; T239-I241 HydrophobicContact CG2-CG2 4.2Å
240	I	95.5	Very high	93.8	Very high	95 Å²	95	53 Å²	53	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.3	170.7	-57.7	170.3	0	0	0	107.7	I144 H211 I212	I144-I240 HydrophobicContact CD1-CG1 4.39Å; I144-I240 HydrophobicContact CG1-CD1 4.14Å; I144-I240 HydrophobicContact CG1-CG1 4.16Å; H211-I240 HydrophobicContact CB-CG2 4.23Å; H211-I240 CarbonylContact O-C 3.57Å; H211-I240 VanDerWaalsContact O-CA 3.25Å; H211-I240 WeakPolarHBondContact O-CA 3.19Å; I212-I240 HydrophobicContact CG1-CG1 3.98Å
241	I	93.2	Very high	93.6	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.041	31%	0.306	C	S	.	.			trans	-124.4	124.7	175.8	54.2	154.4	0	0	0	110.3	H211 I213 T239 A247 S273 F274	H211-I241 WeakPolarHBondContact CB-O 3.32Å; H211-I241 PolarHBondContact O-N 2.91Å; I213-I241 HydrophobicContact CD1-CD1 3.64Å; I213-I241 HydrophobicContact CD1-CG1 3.94Å; I213-I241 HydrophobicContact CD1-CG2 3.82Å; I213-I241 HydrophobicContact CG1-CD1 3.9Å; I213-I241 HydrophobicContact CG1-CG1 3.91Å; I213-I241 HydrophobicContact CG1-CG2 4.41Å; T239-I241 HydrophobicContact CG2-CG2 4.2Å; I241-A247 HydrophobicContact CG2-CB 4.38Å; I241-S273 WeakPolarHBondContact CD1-OG 3.24Å; I241-F274 HydrophobicContact CD1-CD1 4.13Å; I241-F274 HydrophobicContact CD1-CD2 4.01Å; I241-F274 HydrophobicContact CD1-CE1 3.6Å; I241-F274 HydrophobicContact CD1-CE2 3.48Å; I241-F274 VanDerWaalsContact CD1-CE2 3.48Å; I241-F274 HydrophobicContact CD1-CG 4.32Å; I241-F274 HydrophobicContact CD1-CZ 3.26Å; I241-F274 HydrophobicContact CG1-CD1 4.48Å; I241-F274 HydrophobicContact CG1-CE1 3.6Å; I241-F274 HydrophobicContact CG1-CE2 4.16Å; I241-F274 HydrophobicContact CG1-CZ 3.42Å; I241-F274 VanDerWaalsContact CG1-CZ 3.42Å
242	K	88.6	Confident	93.5	Very high	144 Å²	144	54.9 Å²	54.9	63%	0.626	32%	0.318	S	S	*	.			trans	-73.6	164.2	178.4	-59.3	175.7	-177.8	171.8	0	110.7	G244 E245	K242-G244 PolarHBondContact O-N 3.03Å; K242-E245 HydrophobicContact CB-CG 4.1Å; K242-E245 PolarHBondContact N-OE2 3.25Å; K242-E245 WeakPolarHBondContact O-CB 3.42Å; K242-E245 PolarHBondContact O-N 3.05Å
243	D	85.5	Confident	93.4	Very high	136 Å²	136	56.9 Å²	56.9	73%	0.727	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	125.4	176.5	-69	-34.5	0	0	0	112	H211 E245	H211-D243 IonicContact CE1-OD1 3.87Å; H211-D243 PolarHBondContact CE1-OD1 3Å; H211-D243 IonicContact CE1-OD2 3.9Å; H211-D243 IonicContact ND1-OD1 2.63Å; H211-D243 PolarHBondContact ND1-OD1 3.33Å; D243-E245 PolarHBondContact O-N 3Å
244	G	83.3	Confident	93.4	Very high	88 Å²	88	57.9 Å²	57.9	91%	0.907	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-6.8	-178.4	0	0	0	0	0	115.2	K242	K242-G244 PolarHBondContact O-N 3.03Å
245	E	91.8	Very high	93.6	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	33%	0.325	S	S	.	.			trans	-84.1	154.5	173.2	-64.7	-175.7	167.2	0	0	111.6	K242 D243	K242-E245 HydrophobicContact CB-CG 4.1Å; K242-E245 PolarHBondContact N-OE2 3.25Å; K242-E245 WeakPolarHBondContact O-CB 3.42Å; K242-E245 PolarHBondContact O-N 3.05Å; D243-E245 PolarHBondContact O-N 3Å
246	R	94.1	Very high	93.7	Very high	107 Å²	107	56.5 Å²	56.5	40%	0.404	33%	0.325	S	S	.	.			trans	-132	141.4	175.5	-72.4	-170	155.4	-107.4	-16.5	110.7	T270 G271 E275	R246-T270 WeakPolarHBondContact CB-O 3.21Å; R246-T270 WeakPolarHBondContact CD-O 3.32Å; R246-G271 PolarHBondContact NH1-O 3.42Å; R246-E275 IonicContact CZ-OE1 2.84Å; R246-E275 VanDerWaalsContact CZ-OE1 3.29Å; R246-E275 IonicContact NH1-OE1 3.34Å; R246-E275 PolarHBondContact NH1-OE1 3.03Å; R246-E275 IonicContact NH2-OE1 3.44Å; R246-E275 PolarHBondContact NH2-OE1 3.21Å; R246-E275 IonicContact NH2-OE2 2.66Å
247	A	94.3	Very high	94	Very high	13 Å²	13	54.6 Å²	54.6	11%	0.107	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-77.9	145.2	173.9	0	0	0	0	0	110.5	I213 I241 G271 Y272	I213-A247 HydrophobicContact CD1-CB 4.45Å; I241-A247 HydrophobicContact CG2-CB 4.38Å; A247-G271 CarbonylContact O-C 3.46Å; A247-G271 WeakPolarHBondContact O-CA 3.45Å; A247-Y272 HydrophobicContact CB-CD2 4.08Å; A247-Y272 HydrophobicContact CB-CE1 4.1Å; A247-Y272 HydrophobicContact CB-CE2 3.57Å; A247-Y272 PolarHBondContact N-O 2.98Å; A247-Y272 WeakPolarHBondContact O-CD1 3.39Å; A247-Y272 WeakPolarHBondContact O-CE1 3.34Å; A247-Y272 PolarHBondContact O-N 3Å
248	T	93.4	Very high	94.1	Very high	90 Å²	90	52.1 Å²	52.1	55%	0.552	30%	0.302	S	S	*	.			trans	-124.8	-14.8	-179	55.7	0	0	0	0	113.1
249	A	92.5	Very high	94.1	Very high	53 Å²	53	52.1 Å²	52.1	44%	0.438	30%	0.302	S	S	.	.	S	Bend	trans	-67.5	136.2	-179	0	0	0	0	0	111.5	A251 Y272	A249-A251 PolarHBondContact O-N 3.43Å; A249-A251 VanDerWaalsContact O-N 3.09Å; A249-Y272 VanDerWaalsContact O-CE1 3.31Å; A249-Y272 WeakPolarHBondContact O-CE1 3.16Å; A249-Y272 PolarHBondContact O-OH 3.19Å
250	L	94.7	Very high	94.1	Very high	60 Å²	60	51.6 Å²	51.6	31%	0.314	30%	0.298	S	S	.	.			trans	-76.3	92.5	171.8	-178.8	66.1	0	0	0	109.7	M257 I261 F262 F265 V303	L250-M257 HydrophobicContact CD1-CE 3.76Å; L250-M257 HydrophobicContact CD1-SD 4.1Å; L250-M257 HydrophobicContact CG-CE 4.22Å; L250-I261 HydrophobicContact CD1-CG2 3.77Å; L250-F262 HydrophobicContact CD1-CD1 3.89Å; L250-F262 HydrophobicContact CD1-CE1 4.08Å; L250-F265 HydrophobicContact CB-CB 4.33Å; L250-F265 HydrophobicContact CB-CD2 3.56Å; L250-F265 HydrophobicContact CB-CE2 4.06Å; L250-F265 HydrophobicContact CB-CG 4.03Å; L250-F265 HydrophobicContact CD1-CB 4.48Å; L250-F265 HydrophobicContact CD2-CD1 4.05Å; L250-F265 HydrophobicContact CD2-CD2 3.99Å; L250-F265 HydrophobicContact CD2-CE1 4.13Å; L250-F265 HydrophobicContact CD2-CE2 4.07Å; L250-F265 HydrophobicContact CD2-CG 3.97Å; L250-F265 HydrophobicContact CD2-CZ 4.13Å; L250-F265 HydrophobicContact CG-CD2 4.34Å; L250-F265 HydrophobicContact CG-CG 4.43Å; L250-V303 HydrophobicContact CD2-CG2 4.04Å
251	A	94.1	Very high	94.2	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	28%	0.275	C	S	.	.			trans	-135	136.9	-177.6	0	0	0	0	0	111.4	A249 M257	A249-A251 PolarHBondContact O-N 3.43Å; A249-A251 VanDerWaalsContact O-N 3.09Å; A251-M257 WeakPolarHBondContact O-CE 3.37Å
252	G	96	Very high	94.3	Very high	27 Å²	27	46.8 Å²	46.8	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	129.6	174.7	-174.2	0	0	0	0	0	114.6	R215 I237 M257	R215-G252 VanDerWaalsContact O-CA 3.32Å; R215-G252 WeakPolarHBondContact O-CA 3.45Å; I237-G252 VanDerWaalsContact CD1-N 3.33Å; G252-M257 VanDerWaalsContact N-CE 3.31Å; G252-M257 WeakPolarHBondContact O-CE 3.28Å
253	T	96.7	Very high	94.5	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.264	26%	0.257	S	S	.	.			trans	-88.9	109.4	176.1	-56.4	0	0	0	0	110.1	D216 K218 P255 Y256 M257	D216-T253 WeakPolarHBondContact OD1-CB 3.49Å; D216-T253 PolarHBondContact OD1-N 3.12Å; D216-T253 PolarHBondContact OD1-OG1 2.91Å; K218-T253 HydrophobicContact CD-CG2 4.27Å; K218-T253 PolarHBondContact NZ-OG1 3.09Å; T253-P255 VanDerWaalsContact C-N 3.32Å; T253-P255 WeakPolarHBondContact O-CD 3.43Å; T253-Y256 HydrophobicContact CG2-CD2 3.92Å; T253-Y256 HydrophobicContact CG2-CE2 4.3Å; T253-Y256 PolarHBondContact O-N 3.42Å; T253-M257 PolarHBondContact O-N 3Å
254	K	97.5	Very high	94.7	Very high	51 Å²	51	36.7 Å²	36.7	22%	0.222	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	-44.8	-170.7	-67.9	-172.8	-177.3	172.7	0	116.4	Y256 M257 F262 I297 S299 N301 L306	K254-Y256 PolarHBondContact O-N 2.84Å; K254-M257 HydrophobicContact CB-SD 4.37Å; K254-M257 HydrophobicContact CG-SD 4.07Å; K254-M257 PolarHBondContact O-N 3.41Å; K254-F262 HydrophobicContact CB-CZ 4.35Å; K254-F262 HydrophobicContact CG-CE1 4.3Å; K254-F262 HydrophobicContact CG-CZ 4.47Å; K254-I297 HydrophobicContact CB-CG2 3.97Å; K254-S299 WeakPolarHBondContact CE-O 3.44Å; K254-S299 PolarHBondContact NZ-O 3.2Å; K254-N301 PolarHBondContact NZ-O 3.22Å; K254-L306 HydrophobicContact CD-CD1 4.22Å
255	P	97.8	Very high	95	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.084	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.7	179.4	-21.8	33.4	0	0	0	116.2	T253 R293 I297	T253-P255 VanDerWaalsContact C-N 3.32Å; T253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-R293 VanDerWaalsContact CB-NH1 3.33Å; P255-I297 HydrophobicContact CB-CB 4.2Å; P255-I297 HydrophobicContact CB-CG2 4.34Å; P255-I297 HydrophobicContact CG-CB 4.36Å; P255-I297 HydrophobicContact CG-CG2 4.13Å; P255-I297 WeakPolarHBondContact CG-O 3.41Å
256	Y	98.6	Very high	94.8	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.02	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-16.5	178.5	-59.2	-86.2	0	0	0	112.6	R179 K218 T253 K254 W279 S280 V283 E287	R179-Y256 PolarHBondContact NH2-OH 3.35Å; K218-Y256 HydrophobicContact CB-CD1 3.87Å; K218-Y256 HydrophobicContact CB-CD2 3.73Å; K218-Y256 HydrophobicContact CB-CE1 3.95Å; K218-Y256 HydrophobicContact CB-CE2 3.79Å; K218-Y256 HydrophobicContact CB-CG 3.79Å; K218-Y256 HydrophobicContact CD-CD2 4.32Å; K218-Y256 HydrophobicContact CD-CE2 4.44Å; T253-Y256 HydrophobicContact CG2-CD2 3.92Å; T253-Y256 HydrophobicContact CG2-CE2 4.3Å; T253-Y256 PolarHBondContact O-N 3.42Å; K254-Y256 PolarHBondContact O-N 2.84Å; Y256-W279 VanDerWaalsContact O-CD1 3.22Å; Y256-S280 PolarHBondContact O-OG 2.92Å; Y256-V283 HydrophobicContact CD1-CB 4.02Å; Y256-V283 HydrophobicContact CD1-CG1 3.44Å; Y256-V283 VanDerWaalsContact CD1-CG1 3.44Å; Y256-V283 HydrophobicContact CE1-CG1 3.73Å; Y256-V283 HydrophobicContact CG-CG1 4.29Å; Y256-E287 VanDerWaalsContact CE1-OE2 3.31Å; Y256-E287 WeakPolarHBondContact CE1-OE2 3.23Å; Y256-E287 VanDerWaalsContact CZ-OE2 3.31Å; Y256-E287 VanDerWaalsContact OH-CD 3.28Å; Y256-E287 PolarHBondContact OH-OE1 3.39Å; Y256-E287 PolarHBondContact OH-OE2 3.07Å
257	M	98.4	Very high	94.1	Very high	7 Å²	7	36 Å²	36	3%	0.034	21%	0.208	C	C	.	.			trans	-59.8	140.2	179	-75.3	173	149.5	0	0	112.2	L250 A251 G252 T253 K254 I261 F262 W279	L250-M257 HydrophobicContact CD1-CE 3.76Å; L250-M257 HydrophobicContact CD1-SD 4.1Å; L250-M257 HydrophobicContact CG-CE 4.22Å; A251-M257 WeakPolarHBondContact O-CE 3.37Å; G252-M257 VanDerWaalsContact N-CE 3.31Å; G252-M257 WeakPolarHBondContact O-CE 3.28Å; T253-M257 PolarHBondContact O-N 3Å; K254-M257 HydrophobicContact CB-SD 4.37Å; K254-M257 HydrophobicContact CG-SD 4.07Å; K254-M257 PolarHBondContact O-N 3.41Å; M257-I261 HydrophobicContact CB-CD1 4.05Å; M257-I261 HydrophobicContact CE-CG2 4.23Å; M257-I261 HydrophobicContact CG-CD1 4.1Å; M257-I261 HydrophobicContact SD-CG2 4.49Å; M257-F262 HydrophobicContact CB-CE1 4.42Å; M257-F262 HydrophobicContact CB-CE2 3.68Å; M257-F262 HydrophobicContact CB-CZ 3.54Å; M257-F262 HydrophobicContact CG-CZ 4.21Å; M257-F262 HydrophobicContact SD-CE1 3.58Å; M257-F262 VanDerWaalsContact SD-CE1 3.58Å; M257-F262 HydrophobicContact SD-CE2 4.48Å; M257-F262 HydrophobicContact SD-CZ 3.54Å; M257-F262 VanDerWaalsContact SD-CZ 3.54Å; M257-W279 PolarHBondContact O-NE1 3.41Å
258	A	97.9	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.236	C	C	.	.			trans	-72.8	150.9	175	0	0	0	0	0	112.3	E260 I261 V276 W279	A258-E260 VanDerWaalsContact C-N 3.26Å; A258-E260 VanDerWaalsContact CB-CD 3.43Å; A258-E260 HydrophobicContact CB-CG 4.41Å; A258-E260 VanDerWaalsContact CB-OE1 3.31Å; A258-E260 WeakPolarHBondContact CB-OE1 3.49Å; A258-E260 WeakPolarHBondContact CB-OE2 3.43Å; A258-E260 PolarHBondContact O-N 2.84Å; A258-I261 HydrophobicContact CB-CG1 4.47Å; A258-I261 WeakPolarHBondContact O-CB 3.44Å; A258-I261 PolarHBondContact O-N 3.07Å; A258-I261 VanDerWaalsContact O-N 3.12Å; A258-V276 HydrophobicContact CB-CB 4Å; A258-V276 HydrophobicContact CB-CG1 3.95Å; A258-W279 VanDerWaalsContact CA-CD1 3.42Å; A258-W279 HydrophobicContact CB-CB 3.77Å; A258-W279 HydrophobicContact CB-CD2 4.27Å; A258-W279 HydrophobicContact CB-CG 3.65Å
259	P	96.8	Very high	91.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-38.4	-177.6	-26.9	36	0	0	0	113.8	I261 F262 H263 W279 F310 V335	P259-I261 VanDerWaalsContact C-N 3.25Å; P259-I261 PolarHBondContact O-N 3.48Å; P259-F262 PolarHBondContact O-N 3.36Å; P259-F262 VanDerWaalsContact O-N 3.14Å; P259-H263 PolarHBondContact O-CD2 2.97Å; P259-H263 PolarHBondContact O-N 2.83Å; P259-H263 VanDerWaalsContact O-N 3.09Å; P259-W279 HydrophobicContact CG-CH2 3.72Å; P259-W279 HydrophobicContact CG-CZ2 3.9Å; P259-W279 HydrophobicContact CG-CZ3 4.04Å; P259-F310 HydrophobicContact CB-CB 4.18Å; P259-F310 HydrophobicContact CB-CD2 3.83Å; P259-F310 HydrophobicContact CB-CE2 4.37Å; P259-F310 HydrophobicContact CB-CG 3.97Å; P259-F310 HydrophobicContact CG-CB 4.15Å; P259-F310 HydrophobicContact CG-CD1 3.86Å; P259-F310 HydrophobicContact CG-CD2 3.9Å; P259-F310 HydrophobicContact CG-CE1 4.2Å; P259-F310 HydrophobicContact CG-CE2 4.24Å; P259-F310 HydrophobicContact CG-CG 3.7Å; P259-F310 HydrophobicContact CG-CZ 4.37Å; P259-V335 HydrophobicContact CB-CG1 4.11Å; P259-V335 HydrophobicContact CG-CG1 4.04Å; P259-V335 HydrophobicContact CG-CG2 4.47Å
260	E	96.3	Very high	91.4	Very high	18 Å²	18	39.5 Å²	39.5	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-24.5	-178.8	63.6	-87.3	-159.5	0	0	113.9	A258 F262 H263 S264 E275 V276 P337 R340	A258-E260 VanDerWaalsContact C-N 3.26Å; A258-E260 VanDerWaalsContact CB-CD 3.43Å; A258-E260 HydrophobicContact CB-CG 4.41Å; A258-E260 VanDerWaalsContact CB-OE1 3.31Å; A258-E260 WeakPolarHBondContact CB-OE1 3.49Å; A258-E260 WeakPolarHBondContact CB-OE2 3.43Å; A258-E260 PolarHBondContact O-N 2.84Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-H263 PolarHBondContact O-N 3.17Å; E260-S264 WeakPolarHBondContact O-CB 3.29Å; E260-S264 PolarHBondContact O-N 3.31Å; E260-E275 WeakPolarHBondContact OE1-CG 3.47Å; E260-V276 HydrophobicContact CG-CG1 4.11Å; E260-V276 WeakPolarHBondContact OE1-CG1 3.48Å; E260-P337 HydrophobicContact CG-CG 4.5Å; E260-R340 IonicContact OE1-CZ 2.68Å; E260-R340 IonicContact OE1-NH1 3.14Å; E260-R340 PolarHBondContact OE1-NH1 3.19Å; E260-R340 IonicContact OE1-NH2 2.96Å; E260-R340 PolarHBondContact OE1-NH2 3.19Å; E260-R340 IonicContact OE2-CZ 2.54Å; E260-R340 IonicContact OE2-NH1 3.13Å; E260-R340 IonicContact OE2-NH2 2.72Å; E260-R340 PolarHBondContact OE2-NH2 2.55Å
261	I	96.6	Very high	91.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-44.8	173.7	-59.2	179.5	0	0	0	109.5	L250 M257 A258 P259 F265 Y272 V276	L250-I261 HydrophobicContact CD1-CG2 3.77Å; M257-I261 HydrophobicContact CB-CD1 4.05Å; M257-I261 HydrophobicContact CE-CG2 4.23Å; M257-I261 HydrophobicContact CG-CD1 4.1Å; M257-I261 HydrophobicContact SD-CG2 4.49Å; A258-I261 HydrophobicContact CB-CG1 4.47Å; A258-I261 WeakPolarHBondContact O-CB 3.44Å; A258-I261 PolarHBondContact O-N 3.07Å; A258-I261 VanDerWaalsContact O-N 3.12Å; P259-I261 VanDerWaalsContact C-N 3.25Å; P259-I261 PolarHBondContact O-N 3.48Å; I261-F265 PolarHBondContact O-N 3.4Å; I261-Y272 HydrophobicContact CB-CD1 4.27Å; I261-Y272 HydrophobicContact CB-CE1 4.4Å; I261-Y272 HydrophobicContact CG1-CD1 3.89Å; I261-Y272 HydrophobicContact CG1-CD2 4.25Å; I261-Y272 HydrophobicContact CG1-CE1 4.13Å; I261-Y272 HydrophobicContact CG1-CE2 4.47Å; I261-Y272 HydrophobicContact CG1-CG 3.95Å; I261-Y272 HydrophobicContact CG2-CD1 4.38Å; I261-Y272 HydrophobicContact CG2-CE1 4.01Å; I261-V276 HydrophobicContact CD1-CB 4.06Å; I261-V276 HydrophobicContact CD1-CG1 3.98Å; I261-V276 HydrophobicContact CG1-CB 4.43Å; I261-V276 HydrophobicContact CG1-CG1 3.79Å
262	F	95.4	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-40.2	178.7	-57.9	-64.3	0	0	0	111.9	L250 K254 M257 P259 E260 F265 V266 V303 L306 V307 F310	L250-F262 HydrophobicContact CD1-CD1 3.89Å; L250-F262 HydrophobicContact CD1-CE1 4.08Å; K254-F262 HydrophobicContact CB-CZ 4.35Å; K254-F262 HydrophobicContact CG-CE1 4.3Å; K254-F262 HydrophobicContact CG-CZ 4.47Å; M257-F262 HydrophobicContact CB-CE1 4.42Å; M257-F262 HydrophobicContact CB-CE2 3.68Å; M257-F262 HydrophobicContact CB-CZ 3.54Å; M257-F262 HydrophobicContact CG-CZ 4.21Å; M257-F262 HydrophobicContact SD-CE1 3.58Å; M257-F262 VanDerWaalsContact SD-CE1 3.58Å; M257-F262 HydrophobicContact SD-CE2 4.48Å; M257-F262 HydrophobicContact SD-CZ 3.54Å; M257-F262 VanDerWaalsContact SD-CZ 3.54Å; P259-F262 PolarHBondContact O-N 3.36Å; P259-F262 VanDerWaalsContact O-N 3.14Å; E260-F262 VanDerWaalsContact C-N 3.34Å; F262-F265 PolarHBondContact O-N 3.21Å; F262-V266 WeakPolarHBondContact O-CG2 3.2Å; F262-V266 PolarHBondContact O-N 3.48Å; F262-V303 HydrophobicContact CB-CG1 3.75Å; F262-V303 HydrophobicContact CD1-CG1 3.74Å; F262-V303 HydrophobicContact CD1-CG2 4.47Å; F262-V303 HydrophobicContact CG-CG1 4.17Å; F262-L306 HydrophobicContact CD1-CD1 4.11Å; F262-L306 HydrophobicContact CD2-CB 4.45Å; F262-L306 HydrophobicContact CE1-CD1 3.55Å; F262-L306 HydrophobicContact CE2-CD1 4.2Å; F262-L306 HydrophobicContact CZ-CD1 3.58Å; F262-V307 HydrophobicContact CB-CG2 3.9Å; F262-F310 HydrophobicContact CD2-CD2 4.43Å; F262-F310 AromaticContact CD2-CE2 3.71Å; F262-F310 HydrophobicContact CD2-CE2 3.71Å; F262-F310 AromaticContact CE2-CE2 3.68Å; F262-F310 HydrophobicContact CE2-CE2 3.68Å; F262-F310 HydrophobicContact CE2-CZ 4.24Å
263	H	92	Very high	91.3	Very high	62 Å²	62	35.3 Å²	35.3	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-41.7	175.1	-75.1	-66.3	0	0	0	112.6	P259 E260 F265 N267 V307	P259-H263 PolarHBondContact O-CD2 2.97Å; P259-H263 PolarHBondContact O-N 2.83Å; P259-H263 VanDerWaalsContact O-N 3.09Å; E260-H263 PolarHBondContact O-N 3.17Å; H263-F265 VanDerWaalsContact C-N 3.32Å; H263-F265 PolarHBondContact O-N 3.39Å; H263-N267 WeakPolarHBondContact O-CB 3.48Å; H263-N267 PolarHBondContact O-N 2.89Å; H263-V307 WeakPolarHBondContact CE1-CG1 3.49Å
264	S	91.1	Very high	91.4	Very high	7 Å²	7	35 Å²	35	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-44	175.5	178.6	0	0	0	0	111.2	E260 G268 G269 G271	E260-S264 WeakPolarHBondContact O-CB 3.29Å; E260-S264 PolarHBondContact O-N 3.31Å; S264-G268 WeakPolarHBondContact O-CA 3.25Å; S264-G268 PolarHBondContact O-N 3.14Å; S264-G269 PolarHBondContact O-N 3.15Å; S264-G271 WeakPolarHBondContact OG-CA 3.38Å
265	F	89.8	Confident	91.4	Very high	111 Å²	111	33.4 Å²	33.4	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-64.9	-45.8	179.9	-178	-100	0	0	0	113.8	L250 I261 F262 H263 V303	L250-F265 HydrophobicContact CB-CB 4.33Å; L250-F265 HydrophobicContact CB-CD2 3.56Å; L250-F265 HydrophobicContact CB-CE2 4.06Å; L250-F265 HydrophobicContact CB-CG 4.03Å; L250-F265 HydrophobicContact CD1-CB 4.48Å; L250-F265 HydrophobicContact CD2-CD1 4.05Å; L250-F265 HydrophobicContact CD2-CD2 3.99Å; L250-F265 HydrophobicContact CD2-CE1 4.13Å; L250-F265 HydrophobicContact CD2-CE2 4.07Å; L250-F265 HydrophobicContact CD2-CG 3.97Å; L250-F265 HydrophobicContact CD2-CZ 4.13Å; L250-F265 HydrophobicContact CG-CD2 4.34Å; L250-F265 HydrophobicContact CG-CG 4.43Å; I261-F265 PolarHBondContact O-N 3.4Å; F262-F265 PolarHBondContact O-N 3.21Å; H263-F265 VanDerWaalsContact C-N 3.32Å; H263-F265 PolarHBondContact O-N 3.39Å; F265-V303 HydrophobicContact CD1-CB 4.4Å; F265-V303 HydrophobicContact CD1-CG1 4.1Å; F265-V303 HydrophobicContact CD1-CG2 4.17Å; F265-V303 HydrophobicContact CE1-CG2 4.24Å
266	V	87	Confident	91.4	Very high	54 Å²	54	32.8 Å²	32.8	33%	0.327	20%	0.198	S	C	.	.	H	α-helix	trans	-78.2	-44.1	-174.6	179.2	0	0	0	0	112.3	F262 V303	F262-V266 WeakPolarHBondContact O-CG2 3.2Å; F262-V266 PolarHBondContact O-N 3.48Å; V266-V303 HydrophobicContact CG2-CB 4.13Å; V266-V303 HydrophobicContact CG2-CG1 3.42Å; V266-V303 VanDerWaalsContact CG2-CG1 3.42Å
267	N	79.9	Confident	91.4	Very high	119 Å²	119	32.8 Å²	32.8	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-101.4	4.4	-168.4	-64.8	-19.2	0	0	0	113.3	H263 G269	H263-N267 WeakPolarHBondContact O-CB 3.48Å; H263-N267 PolarHBondContact O-N 2.89Å; N267-G269 PolarHBondContact O-N 2.87Å
268	G	73.5	Confident	91.4	Very high	68 Å²	68	32.6 Å²	32.6	70%	0.701	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	35.8	-167.9	0	0	0	0	0	111.5	S264	S264-G268 WeakPolarHBondContact O-CA 3.25Å; S264-G268 PolarHBondContact O-N 3.14Å
269	G	67	Low	91.5	Very high	32 Å²	32	32.7 Å²	32.7	33%	0.33	20%	0.197	S	C	.	.			trans	-61.4	177.2	-174.1	0	0	0	0	0	113.1	S264 N267 G271	S264-G269 PolarHBondContact O-N 3.15Å; N267-G269 PolarHBondContact O-N 2.87Å; G269-G271 PolarHBondContact O-N 3.5Å
270	T	81.8	Confident	91.6	Very high	130 Å²	130	32.8 Å²	32.8	80%	0.798	20%	0.198	S	C	*	.	S	Bend	trans	-61.2	-0.7	-174.2	50.6	0	0	0	0	115.5	R246	R246-T270 WeakPolarHBondContact CB-O 3.21Å; R246-T270 WeakPolarHBondContact CD-O 3.32Å
271	G	92.4	Very high	91.7	Very high	4 Å²	4	32 Å²	32	4%	0.041	19%	0.194	C	C	.	.			trans	83.5	-177.8	-174.1	0	0	0	0	0	112.2	R246 A247 S264 G269	R246-G271 PolarHBondContact NH1-O 3.42Å; A247-G271 CarbonylContact O-C 3.46Å; A247-G271 WeakPolarHBondContact O-CA 3.45Å; S264-G271 WeakPolarHBondContact OG-CA 3.38Å; G269-G271 PolarHBondContact O-N 3.5Å
272	Y	95.6	Very high	91.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-127.8	158.7	177.4	61.6	-92.5	0	0	0	110.8	I213 R215 A247 A249 I261 V276	I213-Y272 HydrophobicContact CD1-CD2 4.46Å; I213-Y272 HydrophobicContact CD1-CE2 4.47Å; R215-Y272 WeakPolarHBondContact CD-OH 3.26Å; R215-Y272 HydrophobicContact CG-CE2 4.33Å; R215-Y272 PolarHBondContact NH1-OH 3.12Å; A247-Y272 HydrophobicContact CB-CD2 4.08Å; A247-Y272 HydrophobicContact CB-CE1 4.1Å; A247-Y272 HydrophobicContact CB-CE2 3.57Å; A247-Y272 PolarHBondContact N-O 2.98Å; A247-Y272 WeakPolarHBondContact O-CD1 3.39Å; A247-Y272 WeakPolarHBondContact O-CE1 3.34Å; A247-Y272 PolarHBondContact O-N 3Å; A249-Y272 VanDerWaalsContact O-CE1 3.31Å; A249-Y272 WeakPolarHBondContact O-CE1 3.16Å; A249-Y272 PolarHBondContact O-OH 3.19Å; I261-Y272 HydrophobicContact CB-CD1 4.27Å; I261-Y272 HydrophobicContact CB-CE1 4.4Å; I261-Y272 HydrophobicContact CG1-CD1 3.89Å; I261-Y272 HydrophobicContact CG1-CD2 4.25Å; I261-Y272 HydrophobicContact CG1-CE1 4.13Å; I261-Y272 HydrophobicContact CG1-CE2 4.47Å; I261-Y272 HydrophobicContact CG1-CG 3.95Å; I261-Y272 HydrophobicContact CG2-CD1 4.38Å; I261-Y272 HydrophobicContact CG2-CE1 4.01Å; Y272-V276 HydrophobicContact CD2-CB 4.47Å; Y272-V276 HydrophobicContact CD2-CG1 3.61Å; Y272-V276 HydrophobicContact CD2-CG2 4.06Å; Y272-V276 HydrophobicContact CE2-CG2 4.43Å; Y272-V276 HydrophobicContact CG-CG1 3.88Å
273	S	96.1	Very high	92	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.098	19%	0.194	C	C	.	.			trans	-132.6	-153	177.7	-173.8	0	0	0	0	109.8	I241 E275 V276	I241-S273 WeakPolarHBondContact CD1-OG 3.24Å; S273-E275 WeakPolarHBondContact CA-OE2 3.49Å; S273-E275 WeakPolarHBondContact CB-OE2 3.36Å; S273-E275 PolarHBondContact N-OE1 3.28Å; S273-E275 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact O-N 3.08Å; S273-V276 WeakPolarHBondContact O-CG2 3.14Å; S273-V276 PolarHBondContact O-N 3.17Å
274	F	97.3	Very high	92.3	Very high	38 Å²	38	29 Å²	29	17%	0.167	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.5	-171	-50.6	-74.3	0	0	0	114.2	C208 I213 I241 V276 D277	C208-F274 HydrophobicContact CB-CD1 4.25Å; C208-F274 HydrophobicContact CB-CG 4.34Å; I213-F274 HydrophobicContact CG1-CD1 3.74Å; I213-F274 HydrophobicContact CG1-CE1 4.01Å; I241-F274 HydrophobicContact CD1-CD1 4.13Å; I241-F274 HydrophobicContact CD1-CD2 4.01Å; I241-F274 HydrophobicContact CD1-CE1 3.6Å; I241-F274 HydrophobicContact CD1-CE2 3.48Å; I241-F274 VanDerWaalsContact CD1-CE2 3.48Å; I241-F274 HydrophobicContact CD1-CG 4.32Å; I241-F274 HydrophobicContact CD1-CZ 3.26Å; I241-F274 HydrophobicContact CG1-CD1 4.48Å; I241-F274 HydrophobicContact CG1-CE1 3.6Å; I241-F274 HydrophobicContact CG1-CE2 4.16Å; I241-F274 HydrophobicContact CG1-CZ 3.42Å; I241-F274 VanDerWaalsContact CG1-CZ 3.42Å; F274-V276 PolarHBondContact O-N 2.63Å; F274-D277 PolarHBondContact O-N 3.27Å
275	E	97.6	Very high	92.7	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-22.4	178.5	58.5	-98.5	-151.6	0	0	115.1	R246 E260 S273 W279 P337 R340	R246-E275 IonicContact CZ-OE1 2.84Å; R246-E275 VanDerWaalsContact CZ-OE1 3.29Å; R246-E275 IonicContact NH1-OE1 3.34Å; R246-E275 PolarHBondContact NH1-OE1 3.03Å; R246-E275 IonicContact NH2-OE1 3.44Å; R246-E275 PolarHBondContact NH2-OE1 3.21Å; R246-E275 IonicContact NH2-OE2 2.66Å; E260-E275 WeakPolarHBondContact OE1-CG 3.47Å; S273-E275 WeakPolarHBondContact CA-OE2 3.49Å; S273-E275 WeakPolarHBondContact CB-OE2 3.36Å; S273-E275 PolarHBondContact N-OE1 3.28Å; S273-E275 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact O-N 3.08Å; E275-W279 PolarHBondContact O-N 3.01Å; E275-P337 HydrophobicContact CB-CB 4.02Å; E275-P337 HydrophobicContact CG-CB 3.6Å; E275-R340 PolarHBondContact O-NH1 2.84Å
276	V	98.5	Very high	93.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-72.4	-32.1	-176.3	-57.9	0	0	0	0	112.8	I213 A258 E260 I261 Y272 S273 F274 W279 S280	I213-V276 HydrophobicContact CG2-CG2 3.54Å; A258-V276 HydrophobicContact CB-CB 4Å; A258-V276 HydrophobicContact CB-CG1 3.95Å; E260-V276 HydrophobicContact CG-CG1 4.11Å; E260-V276 WeakPolarHBondContact OE1-CG1 3.48Å; I261-V276 HydrophobicContact CD1-CB 4.06Å; I261-V276 HydrophobicContact CD1-CG1 3.98Å; I261-V276 HydrophobicContact CG1-CB 4.43Å; I261-V276 HydrophobicContact CG1-CG1 3.79Å; Y272-V276 HydrophobicContact CD2-CB 4.47Å; Y272-V276 HydrophobicContact CD2-CG1 3.61Å; Y272-V276 HydrophobicContact CD2-CG2 4.06Å; Y272-V276 HydrophobicContact CE2-CG2 4.43Å; Y272-V276 HydrophobicContact CG-CG1 3.88Å; S273-V276 WeakPolarHBondContact O-CG2 3.14Å; S273-V276 PolarHBondContact O-N 3.17Å; F274-V276 PolarHBondContact O-N 2.63Å; V276-W279 PolarHBondContact O-N 3.21Å; V276-S280 PolarHBondContact O-N 2.82Å; V276-S280 VanDerWaalsContact O-N 3.11Å; V276-S280 PolarHBondContact O-OG 3.29Å
277	D	98.8	Very high	93.6	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-73.6	-33.2	179.7	-72.4	-26.1	0	0	0	110.8	L204 I213 H214 R215 V217 F274 S280 L281	L204-D277 HydrophobicContact CD1-CB 4Å; L204-D277 HydrophobicContact CD2-CB 3.76Å; L204-D277 HydrophobicContact CG-CB 4.47Å; I213-D277 WeakPolarHBondContact CG2-OD2 3.39Å; H214-D277 WeakPolarHBondContact CB-OD2 3.46Å; H214-D277 PolarHBondContact N-OD2 2.99Å; R215-D277 WeakPolarHBondContact CA-OD1 3.28Å; R215-D277 PolarHBondContact N-OD1 2.86Å; V217-D277 HydrophobicContact CG2-CB 4.16Å; F274-D277 PolarHBondContact O-N 3.27Å; D277-S280 WeakPolarHBondContact O-CB 3.45Å; D277-S280 PolarHBondContact O-N 3.33Å; D277-L281 PolarHBondContact O-N 3.42Å
278	W	98.8	Very high	94.5	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.011	11%	0.112	C	C	.	.	H	α-helix	trans	-69.4	-36	174.5	-63	91.3	0	0	0	113	A201 L204 S280 L281 G282 L332 F341 S342 V347	A201-W278 HydrophobicContact CB-CH2 3.88Å; A201-W278 HydrophobicContact CB-CZ3 3.67Å; L204-W278 HydrophobicContact CB-CZ2 4.07Å; L204-W278 HydrophobicContact CD1-CD2 4.27Å; L204-W278 HydrophobicContact CD1-CG 4.48Å; W278-S280 VanDerWaalsContact C-N 3.35Å; W278-L281 HydrophobicContact CE3-CD2 4.31Å; W278-L281 WeakPolarHBondContact O-CB 3.45Å; W278-L281 PolarHBondContact O-N 3.19Å; W278-G282 PolarHBondContact O-N 3.08Å; W278-G282 VanDerWaalsContact O-N 3.07Å; W278-L332 HydrophobicContact CB-CD2 4.41Å; W278-L332 HydrophobicContact CE3-CD2 4.23Å; W278-F341 VanDerWaalsContact CB-O 3.26Å; W278-F341 WeakPolarHBondContact CB-O 3.41Å; W278-S342 VanDerWaalsContact CE2-C 3.44Å; W278-S342 PolarHBondContact NE1-O 3.45Å; W278-V347 HydrophobicContact CE3-CG2 4.07Å; W278-V347 HydrophobicContact CZ3-CB 4.42Å; W278-V347 HydrophobicContact CZ3-CG2 3.62Å
279	W	98.8	Very high	95.6	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-48	168.9	170.5	-84.8	0	0	0	111	Y256 M257 A258 P259 E275 V276 L281 G282 V283 Y295 F310 L333 V335	Y256-W279 VanDerWaalsContact O-CD1 3.22Å; M257-W279 PolarHBondContact O-NE1 3.41Å; A258-W279 VanDerWaalsContact CA-CD1 3.42Å; A258-W279 HydrophobicContact CB-CB 3.77Å; A258-W279 HydrophobicContact CB-CD2 4.27Å; A258-W279 HydrophobicContact CB-CG 3.65Å; P259-W279 HydrophobicContact CG-CH2 3.72Å; P259-W279 HydrophobicContact CG-CZ2 3.9Å; P259-W279 HydrophobicContact CG-CZ3 4.04Å; E275-W279 PolarHBondContact O-N 3.01Å; V276-W279 PolarHBondContact O-N 3.21Å; W279-L281 VanDerWaalsContact C-N 3.29Å; W279-L281 PolarHBondContact O-N 3.05Å; W279-G282 CarbonylContact O-C 3.59Å; W279-G282 WeakPolarHBondContact O-CA 3.47Å; W279-G282 PolarHBondContact O-N 2.91Å; W279-V283 PolarHBondContact O-N 3.08Å; W279-Y295 AromaticContact CH2-CE2 3.85Å; W279-Y295 HydrophobicContact CH2-CE2 3.85Å; W279-Y295 HydrophobicContact CZ2-CD2 4.35Å; W279-Y295 AromaticContact CZ2-CE2 3.7Å; W279-Y295 HydrophobicContact CZ2-CE2 3.7Å; W279-F310 HydrophobicContact CH2-CD1 4.25Å; W279-F310 HydrophobicContact CH2-CE1 4.23Å; W279-F310 HydrophobicContact CZ2-CD1 4.14Å; W279-F310 AromaticContact CZ2-CE1 3.66Å; W279-F310 HydrophobicContact CZ2-CE1 3.66Å; W279-F310 HydrophobicContact CZ2-CZ 4.36Å; W279-L333 HydrophobicContact CD2-CD2 4.3Å; W279-L333 HydrophobicContact CE3-CD2 4.41Å; W279-L333 HydrophobicContact CZ2-CD2 4.44Å; W279-L333 VanDerWaalsContact CZ3-C 3.45Å; W279-L333 HydrophobicContact CZ3-CB 4.4Å; W279-L333 WeakPolarHBondContact CZ3-O 3.42Å; W279-V335 HydrophobicContact CH2-CG2 4.18Å; W279-V335 HydrophobicContact CZ3-CG2 4.23Å
280	S	98.9	Very high	97	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.028	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-39.1	-179.6	-56.3	0	0	0	0	111.5	V217 Y256 V276 D277 W278 G282 V283 M284	V217-S280 WeakPolarHBondContact O-CB 3.26Å; Y256-S280 PolarHBondContact O-OG 2.92Å; V276-S280 PolarHBondContact O-N 2.82Å; V276-S280 VanDerWaalsContact O-N 3.11Å; V276-S280 PolarHBondContact O-OG 3.29Å; D277-S280 WeakPolarHBondContact O-CB 3.45Å; D277-S280 PolarHBondContact O-N 3.33Å; W278-S280 VanDerWaalsContact C-N 3.35Å; S280-G282 VanDerWaalsContact C-N 3.35Å; S280-G282 PolarHBondContact O-N 3.44Å; S280-V283 PolarHBondContact O-N 2.85Å; S280-M284 WeakPolarHBondContact O-CB 3.35Å; S280-M284 PolarHBondContact O-N 3.27Å
281	L	98.9	Very high	97.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.8	-43.1	169.9	177.5	56.9	0	0	0	112	I197 M200 L204 D277 W278 W279 M284 A285	I197-L281 HydrophobicContact CG2-CD2 4.35Å; M200-L281 HydrophobicContact CB-CD1 3.68Å; M200-L281 HydrophobicContact CB-CD2 4.19Å; M200-L281 HydrophobicContact CG-CD1 4.17Å; L204-L281 HydrophobicContact CD1-CB 4.34Å; L204-L281 HydrophobicContact CD1-CD2 4.16Å; D277-L281 PolarHBondContact O-N 3.42Å; W278-L281 HydrophobicContact CE3-CD2 4.31Å; W278-L281 WeakPolarHBondContact O-CB 3.45Å; W278-L281 PolarHBondContact O-N 3.19Å; W279-L281 VanDerWaalsContact C-N 3.29Å; W279-L281 PolarHBondContact O-N 3.05Å; L281-M284 HydrophobicContact CD1-CE 3.55Å; L281-M284 PolarHBondContact O-N 2.85Å; L281-A285 WeakPolarHBondContact O-CB 3.33Å; L281-A285 PolarHBondContact O-N 3.36Å
282	G	98.8	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-42.9	174	0	0	0	0	0	113.3	W278 W279 S280 Y286	W278-G282 PolarHBondContact O-N 3.08Å; W278-G282 VanDerWaalsContact O-N 3.07Å; W279-G282 CarbonylContact O-C 3.59Å; W279-G282 WeakPolarHBondContact O-CA 3.47Å; W279-G282 PolarHBondContact O-N 2.91Å; S280-G282 VanDerWaalsContact C-N 3.35Å; S280-G282 PolarHBondContact O-N 3.44Å; G282-Y286 WeakPolarHBondContact O-CB 3.31Å; G282-Y286 PolarHBondContact O-N 3.44Å
283	V	98.9	Very high	97.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-46.1	176.8	175.2	0	0	0	0	110.3	Y256 W279 S280 Y286 E287 R293 P294 L333	Y256-V283 HydrophobicContact CD1-CB 4.02Å; Y256-V283 HydrophobicContact CD1-CG1 3.44Å; Y256-V283 VanDerWaalsContact CD1-CG1 3.44Å; Y256-V283 HydrophobicContact CE1-CG1 3.73Å; Y256-V283 HydrophobicContact CG-CG1 4.29Å; W279-V283 PolarHBondContact O-N 3.08Å; S280-V283 PolarHBondContact O-N 2.85Å; V283-Y286 PolarHBondContact O-N 3.13Å; V283-E287 WeakPolarHBondContact O-CB 3.5Å; V283-E287 PolarHBondContact O-N 3.31Å; V283-R293 HydrophobicContact CG1-CG 4.46Å; V283-P294 HydrophobicContact CG1-CG 4.27Å; V283-P294 HydrophobicContact CG2-CG 4.31Å; V283-L333 HydrophobicContact CB-CD2 4.49Å; V283-L333 HydrophobicContact CG2-CD2 3.66Å
284	M	98.7	Very high	98	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-50.5	177.9	-177.5	-166.4	80.4	0	0	111.5	L178 M200 V217 P219 I222 S280 L281 Y286 E287 L288	L178-M284 HydrophobicContact CD1-SD 4.47Å; M200-M284 HydrophobicContact CG-CE 4.31Å; V217-M284 HydrophobicContact CG1-SD 4.5Å; P219-M284 HydrophobicContact CG-CG 3.98Å; I222-M284 HydrophobicContact CD1-SD 4.37Å; I222-M284 HydrophobicContact CG1-CE 4.5Å; I222-M284 HydrophobicContact CG1-SD 3.49Å; I222-M284 WeakPolarHBondContact CG1-SD 3.2Å; S280-M284 WeakPolarHBondContact O-CB 3.35Å; S280-M284 PolarHBondContact O-N 3.27Å; L281-M284 HydrophobicContact CD1-CE 3.55Å; L281-M284 PolarHBondContact O-N 2.85Å; M284-Y286 VanDerWaalsContact C-N 3.31Å; M284-Y286 PolarHBondContact O-N 2.89Å; M284-E287 PolarHBondContact O-N 2.99Å; M284-E287 VanDerWaalsContact O-N 3.11Å; M284-L288 HydrophobicContact CE-CD1 4.2Å; M284-L288 HydrophobicContact CG-CD1 4.13Å; M284-L288 HydrophobicContact CG-CG 4.48Å; M284-L288 WeakPolarHBondContact O-CG 3.34Å; M284-L288 PolarHBondContact O-N 3.07Å
285	A	98.7	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-41.9	179.8	0	0	0	0	0	112.3	V193 I197 L281 L288 L289 L329	V193-A285 HydrophobicContact CG1-CB 3.81Å; I197-A285 HydrophobicContact CD1-CB 3.74Å; I197-A285 HydrophobicContact CG1-CB 3.78Å; L281-A285 WeakPolarHBondContact O-CB 3.33Å; L281-A285 PolarHBondContact O-N 3.36Å; A285-L288 PolarHBondContact O-N 3.38Å; A285-L289 PolarHBondContact O-N 3.03Å; A285-L329 HydrophobicContact CB-CD2 3.76Å
286	Y	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-45.6	173.8	-178.4	-78.2	0	0	0	111.8	G282 V283 M284 L288 L289 R290 W292 P294 V315 Q316 Y317 W321 L329 L333	G282-Y286 WeakPolarHBondContact O-CB 3.31Å; G282-Y286 PolarHBondContact O-N 3.44Å; V283-Y286 PolarHBondContact O-N 3.13Å; M284-Y286 VanDerWaalsContact C-N 3.31Å; M284-Y286 PolarHBondContact O-N 2.89Å; Y286-L288 PolarHBondContact O-N 3.39Å; Y286-L289 PolarHBondContact O-N 3.48Å; Y286-R290 HydrophobicContact CD1-CB 4.33Å; Y286-R290 HydrophobicContact CE1-CB 4.04Å; Y286-R290 HydrophobicContact CE1-CG 4.31Å; Y286-R290 VanDerWaalsContact CZ-CD 3.41Å; Y286-R290 WeakPolarHBondContact O-CB 3.47Å; Y286-R290 PolarHBondContact O-N 2.86Å; Y286-R290 WeakPolarHBondContact OH-CD 3.48Å; Y286-R290 VanDerWaalsContact OH-CZ 3.23Å; Y286-R290 PolarHBondContact OH-NE 3.32Å; Y286-R290 PolarHBondContact OH-NH1 3.28Å; Y286-W292 WeakPolarHBondContact CD1-O 3.48Å; Y286-W292 WeakPolarHBondContact CE1-O 3.41Å; Y286-P294 HydrophobicContact CD1-CB 3.75Å; Y286-P294 VanDerWaalsContact CD1-CD 3.46Å; Y286-P294 HydrophobicContact CD1-CG 4.02Å; Y286-P294 HydrophobicContact CD2-CB 4.16Å; Y286-P294 HydrophobicContact CE1-CB 3.71Å; Y286-P294 HydrophobicContact CE1-CG 4.43Å; Y286-P294 HydrophobicContact CE2-CB 4.15Å; Y286-P294 HydrophobicContact CG-CB 3.96Å; Y286-P294 HydrophobicContact CG-CG 4.19Å; Y286-V315 HydrophobicContact CD2-CG1 4.03Å; Y286-V315 HydrophobicContact CE2-CG1 3.49Å; Y286-V315 VanDerWaalsContact CE2-CG1 3.49Å; Y286-Q316 WeakPolarHBondContact CE2-O 3.5Å; Y286-Q316 PolarHBondContact OH-O 3.04Å; Y286-Y317 HydrophobicContact CD2-CE1 4.32Å; Y286-Y317 HydrophobicContact CE2-CD1 4.32Å; Y286-Y317 HydrophobicContact CE2-CE1 4.36Å; Y286-W321 AromaticContact CD2-CH2 3.95Å; Y286-W321 HydrophobicContact CD2-CH2 3.95Å; Y286-W321 AromaticContact CD2-CZ3 3.91Å; Y286-W321 HydrophobicContact CD2-CZ3 3.91Å; Y286-W321 AromaticContact CE2-CH2 3.83Å; Y286-W321 HydrophobicContact CE2-CH2 3.83Å; Y286-W321 AromaticContact CE2-CZ3 3.81Å; Y286-W321 HydrophobicContact CE2-CZ3 3.81Å; Y286-W321 HydrophobicContact CG-CH2 4.43Å; Y286-L329 HydrophobicContact CD2-CD1 4.38Å; Y286-L333 HydrophobicContact CD2-CD1 4.32Å
287	E	98.4	Very high	97.8	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-38.6	179.4	-175.5	179.3	-166.5	0	0	112.1	R179 L182 P219 Y256 V283 M284 L289 R290 G291 R293	R179-E287 IonicContact CZ-OE1 2.83Å; R179-E287 IonicContact NH1-OE1 3.4Å; R179-E287 PolarHBondContact NH1-OE1 2.82Å; R179-E287 IonicContact NH2-OE1 2.87Å; R179-E287 IonicContact NH2-OE2 3.29Å; L182-E287 HydrophobicContact CD1-CG 3.96Å; P219-E287 WeakPolarHBondContact CG-OE2 3.28Å; Y256-E287 VanDerWaalsContact CE1-OE2 3.31Å; Y256-E287 WeakPolarHBondContact CE1-OE2 3.23Å; Y256-E287 VanDerWaalsContact CZ-OE2 3.31Å; Y256-E287 VanDerWaalsContact OH-CD 3.28Å; Y256-E287 PolarHBondContact OH-OE1 3.39Å; Y256-E287 PolarHBondContact OH-OE2 3.07Å; V283-E287 WeakPolarHBondContact O-CB 3.5Å; V283-E287 PolarHBondContact O-N 3.31Å; M284-E287 PolarHBondContact O-N 2.99Å; M284-E287 VanDerWaalsContact O-N 3.11Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.43Å; E287-R290 PolarHBondContact O-N 3.31Å; E287-G291 VanDerWaalsContact O-CA 3.24Å; E287-G291 WeakPolarHBondContact O-CA 3.27Å; E287-G291 PolarHBondContact O-N 3.11Å; E287-R293 HydrophobicContact CB-CG 4.38Å; E287-R293 HydrophobicContact CG-CG 4.18Å
288	L	98.2	Very high	97.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-37.4	176.4	-67.5	169.9	0	0	0	112.6	L178 L182 F188 V193 Y196 M284 A285 Y286	L178-L288 HydrophobicContact CB-CD2 4.32Å; L178-L288 HydrophobicContact CD1-CD1 3.94Å; L178-L288 HydrophobicContact CD1-CD2 4.19Å; L182-L288 HydrophobicContact CD1-CD2 4.05Å; L182-L288 HydrophobicContact CD2-CD2 4.21Å; L182-L288 HydrophobicContact CG-CD2 4.05Å; F188-L288 HydrophobicContact CD2-CB 4.16Å; F188-L288 HydrophobicContact CD2-CD2 3.83Å; F188-L288 HydrophobicContact CE2-CD2 3.62Å; F188-L288 HydrophobicContact CZ-CD2 4.35Å; V193-L288 HydrophobicContact CG2-CB 3.76Å; Y196-L288 HydrophobicContact CD2-CD1 4.04Å; M284-L288 HydrophobicContact CE-CD1 4.2Å; M284-L288 HydrophobicContact CG-CD1 4.13Å; M284-L288 HydrophobicContact CG-CG 4.48Å; M284-L288 WeakPolarHBondContact O-CG 3.34Å; M284-L288 PolarHBondContact O-N 3.07Å; A285-L288 PolarHBondContact O-N 3.38Å; Y286-L288 PolarHBondContact O-N 3.39Å
289	L	97.4	Very high	97.2	Very high	27 Å²	27	34 Å²	34	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-77	-38.4	177.4	-68.6	172	0	0	0	113.1	E190 V193 A285 Y286 E287 W321 M325 L329	E190-L289 HydrophobicContact CG-CD2 3.94Å; V193-L289 HydrophobicContact CB-CD2 3.88Å; V193-L289 HydrophobicContact CB-CG 4.12Å; V193-L289 HydrophobicContact CG1-CD1 4.28Å; V193-L289 HydrophobicContact CG1-CD2 4.34Å; V193-L289 HydrophobicContact CG1-CG 4.02Å; V193-L289 HydrophobicContact CG2-CD2 3.58Å; V193-L289 HydrophobicContact CG2-CG 3.87Å; A285-L289 PolarHBondContact O-N 3.03Å; Y286-L289 PolarHBondContact O-N 3.48Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.43Å; L289-W321 HydrophobicContact CB-CH2 4.08Å; L289-W321 HydrophobicContact CB-CZ2 3.52Å; L289-M325 HydrophobicContact CD1-CE 4.47Å; L289-M325 HydrophobicContact CD1-CG 3.73Å; L289-M325 HydrophobicContact CD1-SD 3.95Å; L289-L329 HydrophobicContact CD1-CD1 4.03Å
290	R	96.4	Very high	96.9	Very high	75 Å²	75	38.8 Å²	38.8	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-94	-26.6	-172	-161.1	174.4	-173.7	-148.7	-4.3	113.5	Y286 E287 W292 V318 W321	Y286-R290 HydrophobicContact CD1-CB 4.33Å; Y286-R290 HydrophobicContact CE1-CB 4.04Å; Y286-R290 HydrophobicContact CE1-CG 4.31Å; Y286-R290 VanDerWaalsContact CZ-CD 3.41Å; Y286-R290 WeakPolarHBondContact O-CB 3.47Å; Y286-R290 PolarHBondContact O-N 2.86Å; Y286-R290 WeakPolarHBondContact OH-CD 3.48Å; Y286-R290 VanDerWaalsContact OH-CZ 3.23Å; Y286-R290 PolarHBondContact OH-NE 3.32Å; Y286-R290 PolarHBondContact OH-NH1 3.28Å; E287-R290 PolarHBondContact O-N 3.31Å; R290-W292 VanDerWaalsContact C-N 3.3Å; R290-W292 HydrophobicContact CG-CD2 4Å; R290-W292 HydrophobicContact CG-CE3 4.48Å; R290-W292 HydrophobicContact CG-CG 4.42Å; R290-W292 HydrophobicContact CG-CH2 4.38Å; R290-W292 HydrophobicContact CG-CZ2 3.9Å; R290-W292 VanDerWaalsContact CZ-CE2 3.44Å; R290-W292 VanDerWaalsContact NE-CE2 3.31Å; R290-W292 VanDerWaalsContact NE-NE1 3.13Å; R290-V318 HydrophobicContact CG-CG2 4.43Å; R290-W321 HydrophobicContact CB-CH2 3.98Å; R290-W321 HydrophobicContact CB-CZ2 3.85Å; R290-W321 HydrophobicContact CG-CH2 4.47Å; R290-W321 HydrophobicContact CG-CZ2 4.33Å
291	G	95.8	Very high	96.7	Very high	48 Å²	48	40.9 Å²	40.9	50%	0.495	22%	0.221	S	C	.	.	S	Bend	trans	84.7	-4	-168.5	0	0	0	0	0	114.3	E287	E287-G291 VanDerWaalsContact O-CA 3.24Å; E287-G291 WeakPolarHBondContact O-CA 3.27Å; E287-G291 PolarHBondContact O-N 3.11Å
292	W	95.3	Very high	96.5	Very high	143 Å²	143	43.5 Å²	43.5	54%	0.542	24%	0.242	S	C	.	.	S	Bend	trans	-151.9	159.8	173.8	62.4	83.2	0	0	0	111.7	Y286 R290	Y286-W292 WeakPolarHBondContact CD1-O 3.48Å; Y286-W292 WeakPolarHBondContact CE1-O 3.41Å; R290-W292 VanDerWaalsContact C-N 3.3Å; R290-W292 HydrophobicContact CG-CD2 4Å; R290-W292 HydrophobicContact CG-CE3 4.48Å; R290-W292 HydrophobicContact CG-CG 4.42Å; R290-W292 HydrophobicContact CG-CH2 4.38Å; R290-W292 HydrophobicContact CG-CZ2 3.9Å; R290-W292 VanDerWaalsContact CZ-CE2 3.44Å; R290-W292 VanDerWaalsContact NE-CE2 3.31Å; R290-W292 VanDerWaalsContact NE-NE1 3.13Å
293	R	97.5	Very high	96.2	Very high	66 Å²	66	44 Å²	44	25%	0.249	25%	0.246	C	C	.	.			trans	-68.5	156.3	-172.2	-67.3	175.8	-61.3	-142.4	-0.1	113.3	P255 V283 E287 Y295 I297	P255-R293 VanDerWaalsContact CB-NH1 3.33Å; V283-R293 HydrophobicContact CG1-CG 4.46Å; E287-R293 HydrophobicContact CB-CG 4.38Å; E287-R293 HydrophobicContact CG-CG 4.18Å; R293-Y295 VanDerWaalsContact C-N 3.31Å; R293-Y295 PolarHBondContact O-N 3.22Å; R293-I297 PolarHBondContact NH2-O 3.46Å
294	P	97.6	Very high	95.9	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.084	27%	0.271	C	S	.	.	S	Bend	trans	-69.6	-26.9	179.7	26	-31.8	0	0	0	113.5	V283 Y286 V315 L333	V283-P294 HydrophobicContact CG1-CG 4.27Å; V283-P294 HydrophobicContact CG2-CG 4.31Å; Y286-P294 HydrophobicContact CD1-CB 3.75Å; Y286-P294 VanDerWaalsContact CD1-CD 3.46Å; Y286-P294 HydrophobicContact CD1-CG 4.02Å; Y286-P294 HydrophobicContact CD2-CB 4.16Å; Y286-P294 HydrophobicContact CE1-CB 3.71Å; Y286-P294 HydrophobicContact CE1-CG 4.43Å; Y286-P294 HydrophobicContact CE2-CB 4.15Å; Y286-P294 HydrophobicContact CG-CB 3.96Å; Y286-P294 HydrophobicContact CG-CG 4.19Å; P294-V315 HydrophobicContact CB-CG1 3.76Å; P294-V315 HydrophobicContact CB-CG2 4.11Å; P294-L333 HydrophobicContact CB-CD1 4.39Å; P294-L333 HydrophobicContact CG-CD1 4.28Å
295	Y	97.6	Very high	95.6	Very high	15 Å²	15	52 Å²	52	6%	0.059	29%	0.288	C	S	.	.	S	Bend	trans	-120.9	141.8	177.9	-60.3	-82.7	0	0	0	110.4	W279 R293 I297 L309 F310 V313 V315	W279-Y295 AromaticContact CH2-CE2 3.85Å; W279-Y295 HydrophobicContact CH2-CE2 3.85Å; W279-Y295 HydrophobicContact CZ2-CD2 4.35Å; W279-Y295 AromaticContact CZ2-CE2 3.7Å; W279-Y295 HydrophobicContact CZ2-CE2 3.7Å; R293-Y295 VanDerWaalsContact C-N 3.31Å; R293-Y295 PolarHBondContact O-N 3.22Å; Y295-I297 PolarHBondContact O-N 2.96Å; Y295-I297 VanDerWaalsContact O-N 3.16Å; Y295-L309 HydrophobicContact CD1-CD2 4.3Å; Y295-L309 HydrophobicContact CD1-CG 4.39Å; Y295-F310 HydrophobicContact CD1-CD1 4.2Å; Y295-F310 HydrophobicContact CD1-CE1 4.15Å; Y295-F310 HydrophobicContact CD2-CD1 4.38Å; Y295-F310 AromaticContact CD2-CE1 3.74Å; Y295-F310 HydrophobicContact CD2-CE1 3.74Å; Y295-F310 AromaticContact CE1-CD1 3.87Å; Y295-F310 HydrophobicContact CE1-CD1 3.87Å; Y295-F310 HydrophobicContact CE1-CE1 4.17Å; Y295-F310 HydrophobicContact CE2-CD1 4.08Å; Y295-F310 AromaticContact CE2-CE1 3.79Å; Y295-F310 HydrophobicContact CE2-CE1 3.79Å; Y295-F310 HydrophobicContact CG-CD1 4.44Å; Y295-F310 AromaticContact CG-CE1 3.93Å; Y295-F310 HydrophobicContact CG-CE1 3.93Å; Y295-F310 AromaticContact CZ-CD1 3.8Å; Y295-F310 AromaticContact CZ-CE1 3.99Å; Y295-V313 HydrophobicContact CD1-CG1 4.44Å; Y295-V313 HydrophobicContact CE1-CG1 4.47Å; Y295-V315 HydrophobicContact CE1-CG2 4.29Å; Y295-V315 HydrophobicContact CE2-CG2 3.8Å; Y295-V315 VanDerWaalsContact OH-CG2 3.31Å; Y295-V315 WeakPolarHBondContact OH-CG2 3.28Å
296	D	95	Very high	95.5	Very high	122 Å²	122	52 Å²	52	65%	0.652	29%	0.289	S	S	*	.			trans	-85	87.1	174.3	-167	20.3	0	0	0	109.9	H298	D296-H298 IonicContact OD1-CE1 2.8Å; D296-H298 PolarHBondContact OD1-CE1 3.32Å; D296-H298 IonicContact OD1-NE2 2.6Å; D296-H298 PolarHBondContact OD1-NE2 3.37Å
297	I	96.6	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.			trans	-122.3	138.1	-178.2	-60.6	175.4	0	0	0	108.6	K254 P255 R293 Y295 L306 L309 F310	K254-I297 HydrophobicContact CB-CG2 3.97Å; P255-I297 HydrophobicContact CB-CB 4.2Å; P255-I297 HydrophobicContact CB-CG2 4.34Å; P255-I297 HydrophobicContact CG-CB 4.36Å; P255-I297 HydrophobicContact CG-CG2 4.13Å; P255-I297 WeakPolarHBondContact CG-O 3.41Å; R293-I297 PolarHBondContact NH2-O 3.46Å; Y295-I297 PolarHBondContact O-N 2.96Å; Y295-I297 VanDerWaalsContact O-N 3.16Å; I297-L306 HydrophobicContact CB-CD2 4.35Å; I297-L306 HydrophobicContact CD1-CD2 4.13Å; I297-L306 HydrophobicContact CG1-CD2 3.84Å; I297-L306 HydrophobicContact CG2-CD1 4.25Å; I297-L306 HydrophobicContact CG2-CD2 3.81Å; I297-L309 HydrophobicContact CD1-CD2 3.95Å; I297-L309 HydrophobicContact CG1-CD2 3.63Å; I297-F310 HydrophobicContact CD1-CE1 4.07Å; I297-F310 HydrophobicContact CD1-CE2 4.26Å; I297-F310 HydrophobicContact CD1-CZ 3.51Å
298	H	94	Very high	94.9	Very high	88 Å²	88	59.3 Å²	59.3	41%	0.407	33%	0.325	S	S	.	.			trans	-127.5	161.4	175.2	-55.9	-44.8	0	0	0	110.6	D296 S300 N301	D296-H298 IonicContact OD1-CE1 2.8Å; D296-H298 PolarHBondContact OD1-CE1 3.32Å; D296-H298 IonicContact OD1-NE2 2.6Å; D296-H298 PolarHBondContact OD1-NE2 3.37Å; H298-S300 PolarHBondContact O-N 2.96Å; H298-N301 WeakPolarHBondContact CA-OD1 3.25Å; H298-N301 WeakPolarHBondContact CB-OD1 3.36Å; H298-N301 PolarHBondContact N-OD1 2.62Å; H298-N301 PolarHBondContact O-N 3.48Å; H298-N301 PolarHBondContact O-OD1 2.93Å
299	S	90.8	Very high	94.8	Very high	99 Å²	99	61 Å²	61	69%	0.692	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.1	178.3	52.5	0	0	0	0	112.9	K254	K254-S299 WeakPolarHBondContact CE-O 3.44Å; K254-S299 PolarHBondContact NZ-O 3.2Å
300	S	92.9	Very high	94.7	Very high	102 Å²	102	60.3 Å²	60.3	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13	-179.7	54.9	0	0	0	0	114.7	H298 A302	H298-S300 PolarHBondContact O-N 2.96Å; S300-A302 PolarHBondContact O-N 3.18Å
301	N	94.3	Very high	94.5	Very high	47 Å²	47	60.9 Å²	60.9	25%	0.251	35%	0.345	S	S	.	.	S	Bend	trans	-64.7	137.3	179.6	-68	104	0	0	0	111.4	K254 H298 L306	K254-N301 PolarHBondContact NZ-O 3.22Å; H298-N301 WeakPolarHBondContact CA-OD1 3.25Å; H298-N301 WeakPolarHBondContact CB-OD1 3.36Å; H298-N301 PolarHBondContact N-OD1 2.62Å; H298-N301 PolarHBondContact O-N 3.48Å; H298-N301 PolarHBondContact O-OD1 2.93Å; N301-L306 HydrophobicContact CB-CD1 4.45Å; N301-L306 HydrophobicContact CB-CD2 3.76Å; N301-L306 HydrophobicContact CB-CG 4.18Å
302	A	94.7	Very high	94.4	Very high	55 Å²	55	63.2 Å²	63.2	46%	0.455	35%	0.35	S	S	.	.			trans	-69.6	143.7	173.8	0	0	0	0	0	110.7	S300 E304 S305 L306	S300-A302 PolarHBondContact O-N 3.18Å; A302-E304 VanDerWaalsContact C-N 3.29Å; A302-E304 PolarHBondContact O-N 3.38Å; A302-S305 PolarHBondContact O-N 2.98Å; A302-S305 VanDerWaalsContact O-N 3.14Å; A302-S305 PolarHBondContact O-OG 3.36Å; A302-L306 PolarHBondContact O-N 3.44Å
303	V	92.6	Very high	94.4	Very high	12 Å²	12	59.5 Å²	59.5	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-38.4	-172.4	179.7	0	0	0	0	111.7	L250 F262 F265 V266 S305 L306 V307	L250-V303 HydrophobicContact CD2-CG2 4.04Å; F262-V303 HydrophobicContact CB-CG1 3.75Å; F262-V303 HydrophobicContact CD1-CG1 3.74Å; F262-V303 HydrophobicContact CD1-CG2 4.47Å; F262-V303 HydrophobicContact CG-CG1 4.17Å; F265-V303 HydrophobicContact CD1-CB 4.4Å; F265-V303 HydrophobicContact CD1-CG1 4.1Å; F265-V303 HydrophobicContact CD1-CG2 4.17Å; F265-V303 HydrophobicContact CE1-CG2 4.24Å; V266-V303 HydrophobicContact CG2-CB 4.13Å; V266-V303 HydrophobicContact CG2-CG1 3.42Å; V266-V303 VanDerWaalsContact CG2-CG1 3.42Å; V303-S305 VanDerWaalsContact C-N 3.27Å; V303-S305 PolarHBondContact O-N 2.84Å; V303-L306 WeakPolarHBondContact O-CB 3.29Å; V303-L306 PolarHBondContact O-N 3.3Å; V303-V307 PolarHBondContact O-N 3.45Å; V303-V307 VanDerWaalsContact O-N 3.11Å
304	E	91.8	Very high	94.2	Very high	116 Å²	116	60.3 Å²	60.3	54%	0.542	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-38	179	-59.3	76.1	-168	0	0	111.5	A302 L306 V307 Q308	A302-E304 VanDerWaalsContact C-N 3.29Å; A302-E304 PolarHBondContact O-N 3.38Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.38Å; E304-V307 PolarHBondContact O-N 3.31Å; E304-Q308 PolarHBondContact O-N 3.35Å
305	S	94.1	Very high	94.2	Very high	52 Å²	52	60.6 Å²	60.6	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-67.8	-31.9	176.8	72.5	0	0	0	0	112.4	A302 V303 Q308 L309	A302-S305 PolarHBondContact O-N 2.98Å; A302-S305 VanDerWaalsContact O-N 3.14Å; A302-S305 PolarHBondContact O-OG 3.36Å; V303-S305 VanDerWaalsContact C-N 3.27Å; V303-S305 PolarHBondContact O-N 2.84Å; S305-Q308 PolarHBondContact O-N 3.07Å; S305-L309 WeakPolarHBondContact O-CB 3.41Å; S305-L309 PolarHBondContact O-N 3.23Å
306	L	94.9	Very high	94.2	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-72.2	-40	177.8	-60	-179.2	0	0	0	111.5	K254 F262 I297 N301 A302 V303 E304 Q308 L309 F310	K254-L306 HydrophobicContact CD-CD1 4.22Å; F262-L306 HydrophobicContact CD1-CD1 4.11Å; F262-L306 HydrophobicContact CD2-CB 4.45Å; F262-L306 HydrophobicContact CE1-CD1 3.55Å; F262-L306 HydrophobicContact CE2-CD1 4.2Å; F262-L306 HydrophobicContact CZ-CD1 3.58Å; I297-L306 HydrophobicContact CB-CD2 4.35Å; I297-L306 HydrophobicContact CD1-CD2 4.13Å; I297-L306 HydrophobicContact CG1-CD2 3.84Å; I297-L306 HydrophobicContact CG2-CD1 4.25Å; I297-L306 HydrophobicContact CG2-CD2 3.81Å; N301-L306 HydrophobicContact CB-CD1 4.45Å; N301-L306 HydrophobicContact CB-CD2 3.76Å; N301-L306 HydrophobicContact CB-CG 4.18Å; A302-L306 PolarHBondContact O-N 3.44Å; V303-L306 WeakPolarHBondContact O-CB 3.29Å; V303-L306 PolarHBondContact O-N 3.3Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.38Å; L306-Q308 VanDerWaalsContact C-N 3.3Å; L306-Q308 PolarHBondContact O-N 3.17Å; L306-L309 HydrophobicContact CD2-CD2 4.38Å; L306-L309 WeakPolarHBondContact O-CB 3.31Å; L306-L309 PolarHBondContact O-N 2.99Å; L306-F310 HydrophobicContact CB-CE2 4.37Å; L306-F310 WeakPolarHBondContact O-CD2 3.3Å; L306-F310 PolarHBondContact O-N 2.76Å
307	V	92.3	Very high	94.3	Very high	28 Å²	28	61.8 Å²	61.8	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-44.7	173.2	167.3	0	0	0	0	111.2	F262 H263 V303 E304 S311	F262-V307 HydrophobicContact CB-CG2 3.9Å; H263-V307 WeakPolarHBondContact CE1-CG1 3.49Å; V303-V307 PolarHBondContact O-N 3.45Å; V303-V307 VanDerWaalsContact O-N 3.11Å; E304-V307 PolarHBondContact O-N 3.31Å; V307-S311 PolarHBondContact O-N 2.94Å; V307-S311 PolarHBondContact O-OG 3.05Å
308	Q	93.4	Very high	94.1	Very high	132 Å²	132	63.9 Å²	63.9	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-39.9	175.9	-174.8	177.1	-3.6	0	0	112.1	E304 S305 L306 S311 T312	E304-Q308 PolarHBondContact O-N 3.35Å; S305-Q308 PolarHBondContact O-N 3.07Å; L306-Q308 VanDerWaalsContact C-N 3.3Å; L306-Q308 PolarHBondContact O-N 3.17Å; Q308-S311 PolarHBondContact O-N 2.94Å; Q308-T312 HydrophobicContact CG-CG2 4.28Å; Q308-T312 WeakPolarHBondContact O-CG2 3.4Å; Q308-T312 PolarHBondContact O-N 3.41Å; Q308-T312 VanDerWaalsContact O-N 3.14Å; Q308-T312 PolarHBondContact O-OG1 3.04Å
309	L	96	Very high	94.1	Very high	40 Å²	40	65.8 Å²	65.8	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-56.6	-52	178.1	-177.7	75.5	0	0	0	111.3	Y295 I297 S305 L306 S311 T312 V313	Y295-L309 HydrophobicContact CD1-CD2 4.3Å; Y295-L309 HydrophobicContact CD1-CG 4.39Å; I297-L309 HydrophobicContact CD1-CD2 3.95Å; I297-L309 HydrophobicContact CG1-CD2 3.63Å; S305-L309 WeakPolarHBondContact O-CB 3.41Å; S305-L309 PolarHBondContact O-N 3.23Å; L306-L309 HydrophobicContact CD2-CD2 4.38Å; L306-L309 WeakPolarHBondContact O-CB 3.31Å; L306-L309 PolarHBondContact O-N 2.99Å; L309-S311 PolarHBondContact O-N 2.88Å; L309-T312 PolarHBondContact O-N 3.27Å; L309-T312 VanDerWaalsContact O-N 3.12Å; L309-T312 PolarHBondContact O-OG1 3.39Å; L309-V313 HydrophobicContact CD1-CB 4.14Å; L309-V313 HydrophobicContact CD1-CG2 3.56Å; L309-V313 HydrophobicContact CG-CG2 4.4Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 PolarHBondContact O-N 3.02Å
310	F	95.2	Very high	94.3	Very high	11 Å²	11	66.8 Å²	66.8	5%	0.048	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-23.9	-179.7	-67.3	-59.1	0	0	0	113.6	P259 F262 W279 Y295 I297 L306	P259-F310 HydrophobicContact CB-CB 4.18Å; P259-F310 HydrophobicContact CB-CD2 3.83Å; P259-F310 HydrophobicContact CB-CE2 4.37Å; P259-F310 HydrophobicContact CB-CG 3.97Å; P259-F310 HydrophobicContact CG-CB 4.15Å; P259-F310 HydrophobicContact CG-CD1 3.86Å; P259-F310 HydrophobicContact CG-CD2 3.9Å; P259-F310 HydrophobicContact CG-CE1 4.2Å; P259-F310 HydrophobicContact CG-CE2 4.24Å; P259-F310 HydrophobicContact CG-CG 3.7Å; P259-F310 HydrophobicContact CG-CZ 4.37Å; F262-F310 HydrophobicContact CD2-CD2 4.43Å; F262-F310 AromaticContact CD2-CE2 3.71Å; F262-F310 HydrophobicContact CD2-CE2 3.71Å; F262-F310 AromaticContact CE2-CE2 3.68Å; F262-F310 HydrophobicContact CE2-CE2 3.68Å; F262-F310 HydrophobicContact CE2-CZ 4.24Å; W279-F310 HydrophobicContact CH2-CD1 4.25Å; W279-F310 HydrophobicContact CH2-CE1 4.23Å; W279-F310 HydrophobicContact CZ2-CD1 4.14Å; W279-F310 AromaticContact CZ2-CE1 3.66Å; W279-F310 HydrophobicContact CZ2-CE1 3.66Å; W279-F310 HydrophobicContact CZ2-CZ 4.36Å; Y295-F310 HydrophobicContact CD1-CD1 4.2Å; Y295-F310 HydrophobicContact CD1-CE1 4.15Å; Y295-F310 HydrophobicContact CD2-CD1 4.38Å; Y295-F310 AromaticContact CD2-CE1 3.74Å; Y295-F310 HydrophobicContact CD2-CE1 3.74Å; Y295-F310 AromaticContact CE1-CD1 3.87Å; Y295-F310 HydrophobicContact CE1-CD1 3.87Å; Y295-F310 HydrophobicContact CE1-CE1 4.17Å; Y295-F310 HydrophobicContact CE2-CD1 4.08Å; Y295-F310 AromaticContact CE2-CE1 3.79Å; Y295-F310 HydrophobicContact CE2-CE1 3.79Å; Y295-F310 HydrophobicContact CG-CD1 4.44Å; Y295-F310 AromaticContact CG-CE1 3.93Å; Y295-F310 HydrophobicContact CG-CE1 3.93Å; Y295-F310 AromaticContact CZ-CD1 3.8Å; Y295-F310 AromaticContact CZ-CE1 3.99Å; I297-F310 HydrophobicContact CD1-CE1 4.07Å; I297-F310 HydrophobicContact CD1-CE2 4.26Å; I297-F310 HydrophobicContact CD1-CZ 3.51Å; L306-F310 HydrophobicContact CB-CE2 4.37Å; L306-F310 WeakPolarHBondContact O-CD2 3.3Å; L306-F310 PolarHBondContact O-N 2.76Å
311	S	92.1	Very high	94.5	Very high	88 Å²	88	63.3 Å²	63.3	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-83.1	-20.7	177.4	-56.7	0	0	0	0	113.5	V307 Q308 L309	V307-S311 PolarHBondContact O-N 2.94Å; V307-S311 PolarHBondContact O-OG 3.05Å; Q308-S311 PolarHBondContact O-N 2.94Å; L309-S311 PolarHBondContact O-N 2.88Å
312	T	93.8	Very high	94.7	Very high	97 Å²	97	62.6 Å²	62.6	60%	0.595	37%	0.366	S	S	*	.	H	α-helix	trans	-118.9	-26.8	-168.8	54.7	0	0	0	0	113.9	Q308 L309	Q308-T312 HydrophobicContact CG-CG2 4.28Å; Q308-T312 WeakPolarHBondContact O-CG2 3.4Å; Q308-T312 PolarHBondContact O-N 3.41Å; Q308-T312 VanDerWaalsContact O-N 3.14Å; Q308-T312 PolarHBondContact O-OG1 3.04Å; L309-T312 PolarHBondContact O-N 3.27Å; L309-T312 VanDerWaalsContact O-N 3.12Å; L309-T312 PolarHBondContact O-OG1 3.39Å
313	V	95.1	Very high	94.8	Very high	65 Å²	65	70.6 Å²	70.6	39%	0.394	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-102.4	125.1	-176.2	178.7	0	0	0	0	110.6	Y295 L309	Y295-V313 HydrophobicContact CD1-CG1 4.44Å; Y295-V313 HydrophobicContact CE1-CG1 4.47Å; L309-V313 HydrophobicContact CD1-CB 4.14Å; L309-V313 HydrophobicContact CD1-CG2 3.56Å; L309-V313 HydrophobicContact CG-CG2 4.4Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 PolarHBondContact O-N 3.02Å
314	S	94.8	Very high	95	Very high	83 Å²	83	74.7 Å²	74.7	58%	0.58	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-92.7	139	172.2	57.7	0	0	0	0	111.4	Q316	S314-Q316 PolarHBondContact O-N 3.47Å; S314-Q316 PolarHBondContact O-NE2 3.24Å; S314-Q316 VanDerWaalsContact O-NE2 3.08Å; S314-Q316 PolarHBondContact OG-NE2 3.23Å
315	V	96.8	Very high	95.3	Very high	18 Å²	18	69.2 Å²	69.2	11%	0.109	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-62.1	128.5	175.4	-179.1	0	0	0	0	110	Y286 P294 Y295 Y317 L333	Y286-V315 HydrophobicContact CD2-CG1 4.03Å; Y286-V315 HydrophobicContact CE2-CG1 3.49Å; Y286-V315 VanDerWaalsContact CE2-CG1 3.49Å; P294-V315 HydrophobicContact CB-CG1 3.76Å; P294-V315 HydrophobicContact CB-CG2 4.11Å; Y295-V315 HydrophobicContact CE1-CG2 4.29Å; Y295-V315 HydrophobicContact CE2-CG2 3.8Å; Y295-V315 VanDerWaalsContact OH-CG2 3.31Å; Y295-V315 WeakPolarHBondContact OH-CG2 3.28Å; V315-Y317 HydrophobicContact CB-CE2 3.82Å; V315-Y317 HydrophobicContact CG1-CD2 4.34Å; V315-Y317 HydrophobicContact CG1-CE1 4.06Å; V315-Y317 HydrophobicContact CG1-CE2 3.75Å; V315-Y317 WeakPolarHBondContact O-CD2 3.31Å; V315-Y317 WeakPolarHBondContact O-CE2 3.38Å; V315-L333 HydrophobicContact CG1-CD1 4.31Å; V315-L333 HydrophobicContact CG2-CD1 4.4Å
316	Q	97	Very high	95.5	Very high	117 Å²	117	67.4 Å²	67.4	55%	0.547	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-90.3	127.8	176.6	-59.8	-56.3	-50.6	0	0	110	Y286 S314	Y286-Q316 WeakPolarHBondContact CE2-O 3.5Å; Y286-Q316 PolarHBondContact OH-O 3.04Å; S314-Q316 PolarHBondContact O-N 3.47Å; S314-Q316 PolarHBondContact O-NE2 3.24Å; S314-Q316 VanDerWaalsContact O-NE2 3.08Å; S314-Q316 PolarHBondContact OG-NE2 3.23Å
317	Y	96.8	Very high	95.7	Very high	45 Å²	45	69.5 Å²	69.5	18%	0.176	38%	0.381	C	S	.	.			trans	-107.8	142.8	-179.7	-64.7	-88.3	0	0	0	110.5	Y286 V315 W321 V326 L329 R330	Y286-Y317 HydrophobicContact CD2-CE1 4.32Å; Y286-Y317 HydrophobicContact CE2-CD1 4.32Å; Y286-Y317 HydrophobicContact CE2-CE1 4.36Å; V315-Y317 HydrophobicContact CB-CE2 3.82Å; V315-Y317 HydrophobicContact CG1-CD2 4.34Å; V315-Y317 HydrophobicContact CG1-CE1 4.06Å; V315-Y317 HydrophobicContact CG1-CE2 3.75Å; V315-Y317 WeakPolarHBondContact O-CD2 3.31Å; V315-Y317 WeakPolarHBondContact O-CE2 3.38Å; Y317-W321 HydrophobicContact CD1-CE3 4.16Å; Y317-W321 AromaticContact CD1-CZ3 3.92Å; Y317-W321 HydrophobicContact CD1-CZ3 3.92Å; Y317-V326 HydrophobicContact CD1-CB 4.43Å; Y317-V326 HydrophobicContact CD1-CG1 3.89Å; Y317-V326 HydrophobicContact CD1-CG2 4.23Å; Y317-V326 HydrophobicContact CD2-CG1 4.32Å; Y317-V326 HydrophobicContact CE1-CG1 4.43Å; Y317-V326 HydrophobicContact CG-CG1 3.83Å; Y317-V326 HydrophobicContact CG-CG2 4.46Å; Y317-L329 HydrophobicContact CD1-CD1 4.47Å; Y317-L329 HydrophobicContact CE1-CB 3.74Å; Y317-L329 HydrophobicContact CE1-CD1 4.25Å; Y317-R330 HydrophobicContact CE1-CG 4.29Å; Y317-R330 HydrophobicContact CE2-CG 3.73Å; Y317-R330 WeakPolarHBondContact OH-CG 3.37Å
318	V	94.1	Very high	96	Very high	44 Å²	44	68.3 Å²	68.3	27%	0.267	37%	0.374	S	S	.	.			trans	-75	128.7	-179.8	-172.1	0	0	0	0	109.2	R290 T320 W321	R290-V318 HydrophobicContact CG-CG2 4.43Å; V318-T320 VanDerWaalsContact CG1-OG1 3.24Å; V318-T320 WeakPolarHBondContact CG1-OG1 3.4Å; V318-T320 PolarHBondContact O-N 2.89Å; V318-T320 VanDerWaalsContact O-N 3.13Å; V318-W321 HydrophobicContact CB-CD2 3.75Å; V318-W321 HydrophobicContact CB-CE3 4.32Å; V318-W321 HydrophobicContact CB-CG 4.03Å; V318-W321 HydrophobicContact CB-CZ2 4.06Å; V318-W321 HydrophobicContact CG2-CD2 4.13Å; V318-W321 HydrophobicContact CG2-CH2 3.97Å; V318-W321 HydrophobicContact CG2-CZ2 3.48Å; V318-W321 VanDerWaalsContact CG2-CZ2 3.48Å; V318-W321 HydrophobicContact CG2-CZ3 4.46Å; V318-W321 WeakPolarHBondContact O-CB 3.44Å; V318-W321 PolarHBondContact O-N 3.33Å; V318-W321 VanDerWaalsContact O-N 3.1Å
319	P	93.2	Very high	96.2	Very high	129 Å²	129	62 Å²	62	84%	0.838	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.9	-177.3	-25.5	34.9	0	0	0	115.3	W321	P319-W321 VanDerWaalsContact C-N 3.31Å
320	T	95.3	Very high	96.3	Very high	120 Å²	120	66.9 Å²	66.9	74%	0.736	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.8	178.3	56	0	0	0	0	113	V318	V318-T320 VanDerWaalsContact CG1-OG1 3.24Å; V318-T320 WeakPolarHBondContact CG1-OG1 3.4Å; V318-T320 PolarHBondContact O-N 2.89Å; V318-T320 VanDerWaalsContact O-N 3.13Å
321	W	97.1	Very high	96.5	Very high	28 Å²	28	70.9 Å²	70.9	11%	0.106	38%	0.377	C	S	.	.	S	Bend	trans	-72.8	148.3	177.1	-62.1	-19	0	0	0	111.4	E190 Y286 L289 R290 Y317 V318 P319 V326 L329	E190-W321 WeakPolarHBondContact OE1-CA 3.37Å; Y286-W321 AromaticContact CD2-CH2 3.95Å; Y286-W321 HydrophobicContact CD2-CH2 3.95Å; Y286-W321 AromaticContact CD2-CZ3 3.91Å; Y286-W321 HydrophobicContact CD2-CZ3 3.91Å; Y286-W321 AromaticContact CE2-CH2 3.83Å; Y286-W321 HydrophobicContact CE2-CH2 3.83Å; Y286-W321 AromaticContact CE2-CZ3 3.81Å; Y286-W321 HydrophobicContact CE2-CZ3 3.81Å; Y286-W321 HydrophobicContact CG-CH2 4.43Å; L289-W321 HydrophobicContact CB-CH2 4.08Å; L289-W321 HydrophobicContact CB-CZ2 3.52Å; R290-W321 HydrophobicContact CB-CH2 3.98Å; R290-W321 HydrophobicContact CB-CZ2 3.85Å; R290-W321 HydrophobicContact CG-CH2 4.47Å; R290-W321 HydrophobicContact CG-CZ2 4.33Å; Y317-W321 HydrophobicContact CD1-CE3 4.16Å; Y317-W321 AromaticContact CD1-CZ3 3.92Å; Y317-W321 HydrophobicContact CD1-CZ3 3.92Å; V318-W321 HydrophobicContact CB-CD2 3.75Å; V318-W321 HydrophobicContact CB-CE3 4.32Å; V318-W321 HydrophobicContact CB-CG 4.03Å; V318-W321 HydrophobicContact CB-CZ2 4.06Å; V318-W321 HydrophobicContact CG2-CD2 4.13Å; V318-W321 HydrophobicContact CG2-CH2 3.97Å; V318-W321 HydrophobicContact CG2-CZ2 3.48Å; V318-W321 VanDerWaalsContact CG2-CZ2 3.48Å; V318-W321 HydrophobicContact CG2-CZ3 4.46Å; V318-W321 WeakPolarHBondContact O-CB 3.44Å; V318-W321 PolarHBondContact O-N 3.33Å; V318-W321 VanDerWaalsContact O-N 3.1Å; P319-W321 VanDerWaalsContact C-N 3.31Å; W321-V326 HydrophobicContact CB-CG2 3.87Å; W321-V326 HydrophobicContact CE3-CG2 4.21Å; W321-L329 HydrophobicContact CE3-CD1 4.24Å; W321-L329 HydrophobicContact CZ3-CD1 3.94Å
322	S	97.5	Very high	96.8	Very high	33 Å²	33	66.7 Å²	66.7	23%	0.231	35%	0.348	C	S	.	.			trans	-58.7	148.2	175.8	71.2	0	0	0	0	111.4	E190 E324 M325 V326	E190-S322 PolarHBondContact OE1-N 2.99Å; E190-S322 WeakPolarHBondContact OE2-CB 3.35Å; E190-S322 PolarHBondContact OE2-N 3.39Å; E190-S322 PolarHBondContact OE2-OG 3.17Å; S322-E324 PolarHBondContact O-N 3.19Å; S322-M325 PolarHBondContact O-N 2.88Å; S322-M325 WeakPolarHBondContact OG-CB 3.14Å; S322-M325 PolarHBondContact OG-N 3.41Å; S322-M325 VanDerWaalsContact OG-N 3.09Å; S322-V326 WeakPolarHBondContact O-CG2 3.18Å; S322-V326 PolarHBondContact O-N 3.46Å; S322-V326 VanDerWaalsContact O-N 3.07Å
323	R	97.6	Very high	97	Very high	223 Å²	223	62.5 Å²	62.5	84%	0.842	32%	0.322	S	S	*	.	H	α-helix	trans	-63	-35.3	178.5	-69.3	-177.1	178.8	-176.9	0.5	110.7	A327	R323-A327 WeakPolarHBondContact O-CB 3.47Å; R323-A327 PolarHBondContact O-N 3.47Å
324	E	97.1	Very high	97.2	Very high	98 Å²	98	61 Å²	61	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-45.8	177.8	-58.8	86.1	-177.3	0	0	111.8	S322 V326 A327 L328 P351 A352	S322-E324 PolarHBondContact O-N 3.19Å; E324-V326 PolarHBondContact O-N 3.17Å; E324-A327 WeakPolarHBondContact O-CB 3.34Å; E324-A327 PolarHBondContact O-N 2.86Å; E324-L328 PolarHBondContact O-N 3.38Å; E324-P351 HydrophobicContact CG-CB 4.39Å; E324-A352 HydrophobicContact CB-CB 3.79Å
325	M	97.9	Very high	97.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-45.2	177.2	179.2	57.9	74.9	0	0	111.5	E190 R194 I197 L289 S322 A327 L328 L329	E190-M325 HydrophobicContact CB-CE 4.25Å; E190-M325 HydrophobicContact CG-CG 4.47Å; E190-M325 WeakPolarHBondContact O-CE 3.2Å; E190-M325 VanDerWaalsContact OE2-CB 3.23Å; E190-M325 WeakPolarHBondContact OE2-CB 3.36Å; R194-M325 HydrophobicContact CB-CE 4.14Å; I197-M325 HydrophobicContact CD1-SD 4.36Å; L289-M325 HydrophobicContact CD1-CE 4.47Å; L289-M325 HydrophobicContact CD1-CG 3.73Å; L289-M325 HydrophobicContact CD1-SD 3.95Å; S322-M325 PolarHBondContact O-N 2.88Å; S322-M325 WeakPolarHBondContact OG-CB 3.14Å; S322-M325 PolarHBondContact OG-N 3.41Å; S322-M325 VanDerWaalsContact OG-N 3.09Å; M325-A327 VanDerWaalsContact C-N 3.3Å; M325-A327 PolarHBondContact O-N 3.45Å; M325-L328 PolarHBondContact O-N 2.95Å; M325-L329 HydrophobicContact CG-CD1 4.2Å; M325-L329 WeakPolarHBondContact O-CG 3.23Å; M325-L329 PolarHBondContact O-N 2.83Å; M325-L329 HydrophobicContact SD-CD1 4.36Å; M325-L329 HydrophobicContact SD-CG 4.17Å
326	V	98.4	Very high	97.2	Very high	14 Å²	14	61.8 Å²	61.8	9%	0.085	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-40.3	176	172.3	0	0	0	0	111.4	Y317 W321 S322 E324 R330	Y317-V326 HydrophobicContact CD1-CB 4.43Å; Y317-V326 HydrophobicContact CD1-CG1 3.89Å; Y317-V326 HydrophobicContact CD1-CG2 4.23Å; Y317-V326 HydrophobicContact CD2-CG1 4.32Å; Y317-V326 HydrophobicContact CE1-CG1 4.43Å; Y317-V326 HydrophobicContact CG-CG1 3.83Å; Y317-V326 HydrophobicContact CG-CG2 4.46Å; W321-V326 HydrophobicContact CB-CG2 3.87Å; W321-V326 HydrophobicContact CE3-CG2 4.21Å; S322-V326 WeakPolarHBondContact O-CG2 3.18Å; S322-V326 PolarHBondContact O-N 3.46Å; S322-V326 VanDerWaalsContact O-N 3.07Å; E324-V326 PolarHBondContact O-N 3.17Å; V326-R330 WeakPolarHBondContact O-CB 3.47Å; V326-R330 VanDerWaalsContact O-CG 3.28Å; V326-R330 WeakPolarHBondContact O-CG 3.32Å; V326-R330 PolarHBondContact O-N 3.34Å
327	A	98.2	Very high	97.2	Very high	46 Å²	46	57.6 Å²	57.6	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.4	0	0	0	0	0	112.2	R323 E324 M325 R330 K331	R323-A327 WeakPolarHBondContact O-CB 3.47Å; R323-A327 PolarHBondContact O-N 3.47Å; E324-A327 WeakPolarHBondContact O-CB 3.34Å; E324-A327 PolarHBondContact O-N 2.86Å; M325-A327 VanDerWaalsContact C-N 3.3Å; M325-A327 PolarHBondContact O-N 3.45Å; A327-R330 PolarHBondContact O-N 3.28Å; A327-K331 PolarHBondContact O-N 3.22Å
328	L	98.5	Very high	97.1	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-49.8	175.5	177.1	59.7	0	0	0	111.6	I197 E324 M325 R330 K331 L332 F341 A350 A352 L353	I197-L328 HydrophobicContact CD1-CD2 3.93Å; I197-L328 HydrophobicContact CG2-CD2 4.34Å; E324-L328 PolarHBondContact O-N 3.38Å; M325-L328 PolarHBondContact O-N 2.95Å; L328-R330 VanDerWaalsContact C-N 3.3Å; L328-R330 PolarHBondContact O-N 3.37Å; L328-K331 PolarHBondContact O-N 3.45Å; L328-L332 HydrophobicContact CD1-CD1 4.35Å; L328-L332 HydrophobicContact CG-CD1 4.32Å; L328-L332 PolarHBondContact O-N 3Å; L328-F341 HydrophobicContact CD1-CD2 4.15Å; L328-F341 HydrophobicContact CD1-CE2 4.29Å; L328-A350 HydrophobicContact CD1-CB 3.94Å; L328-A352 HydrophobicContact CB-CB 4.05Å; L328-A352 HydrophobicContact CD2-CB 4.01Å; L328-L353 HydrophobicContact CD2-CD1 4.49Å; L328-L353 HydrophobicContact CD2-CD2 4.22Å; L328-L353 HydrophobicContact CD2-CG 4.32Å
329	L	98.6	Very high	97.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-38.5	178.3	-69.9	174.3	0	0	0	112.2	A285 Y286 L289 Y317 W321 M325 K331 L332 L333	A285-L329 HydrophobicContact CB-CD2 3.76Å; Y286-L329 HydrophobicContact CD2-CD1 4.38Å; L289-L329 HydrophobicContact CD1-CD1 4.03Å; Y317-L329 HydrophobicContact CD1-CD1 4.47Å; Y317-L329 HydrophobicContact CE1-CB 3.74Å; Y317-L329 HydrophobicContact CE1-CD1 4.25Å; W321-L329 HydrophobicContact CE3-CD1 4.24Å; W321-L329 HydrophobicContact CZ3-CD1 3.94Å; M325-L329 HydrophobicContact CG-CD1 4.2Å; M325-L329 WeakPolarHBondContact O-CG 3.23Å; M325-L329 PolarHBondContact O-N 2.83Å; M325-L329 HydrophobicContact SD-CD1 4.36Å; M325-L329 HydrophobicContact SD-CG 4.17Å; L329-K331 VanDerWaalsContact C-N 3.28Å; L329-K331 PolarHBondContact O-N 3.48Å; L329-L332 PolarHBondContact O-N 3.37Å; L329-L333 VanDerWaalsContact O-CB 3.25Å; L329-L333 WeakPolarHBondContact O-CB 3.43Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.45Å
330	R	98.4	Very high	97.5	Very high	142 Å²	142	61 Å²	61	54%	0.536	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-37.5	174.9	-78.1	175	-178.6	159.3	1	112.4	Y317 V326 A327 L328 L333 T334	Y317-R330 HydrophobicContact CE1-CG 4.29Å; Y317-R330 HydrophobicContact CE2-CG 3.73Å; Y317-R330 WeakPolarHBondContact OH-CG 3.37Å; V326-R330 WeakPolarHBondContact O-CB 3.47Å; V326-R330 VanDerWaalsContact O-CG 3.28Å; V326-R330 WeakPolarHBondContact O-CG 3.32Å; V326-R330 PolarHBondContact O-N 3.34Å; A327-R330 PolarHBondContact O-N 3.28Å; L328-R330 VanDerWaalsContact C-N 3.3Å; L328-R330 PolarHBondContact O-N 3.37Å; R330-L333 CarbonylContact O-C 3.47Å; R330-T334 PolarHBondContact O-N 2.67Å; R330-T334 PolarHBondContact O-OG1 3.09Å
331	K	98.5	Very high	97.6	Very high	95 Å²	95	56.8 Å²	56.8	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-72.5	-37.6	178.6	-74.6	-66.3	-167.8	173.8	0	112.9	A327 L328 L329 T334 R340 F341	A327-K331 PolarHBondContact O-N 3.22Å; L328-K331 PolarHBondContact O-N 3.45Å; L329-K331 VanDerWaalsContact C-N 3.28Å; L329-K331 PolarHBondContact O-N 3.48Å; K331-T334 PolarHBondContact O-OG1 3.21Å; K331-R340 WeakPolarHBondContact O-CA 3.26Å; K331-R340 VanDerWaalsContact O-CG 3.3Å; K331-R340 WeakPolarHBondContact O-CG 3.48Å; K331-F341 HydrophobicContact CB-CB 4.42Å; K331-F341 HydrophobicContact CB-CD1 3.77Å; K331-F341 HydrophobicContact CB-CD2 3.58Å; K331-F341 HydrophobicContact CB-CE1 3.9Å; K331-F341 HydrophobicContact CB-CE2 3.69Å; K331-F341 HydrophobicContact CB-CG 3.63Å; K331-F341 HydrophobicContact CB-CZ 3.88Å; K331-F341 HydrophobicContact CD-CD1 4.04Å; K331-F341 HydrophobicContact CD-CE1 3.69Å; K331-F341 HydrophobicContact CD-CZ 4.08Å; K331-F341 HydrophobicContact CG-CD1 4.13Å; K331-F341 HydrophobicContact CG-CD2 4.3Å; K331-F341 HydrophobicContact CG-CE1 3.76Å; K331-F341 HydrophobicContact CG-CE2 3.93Å; K331-F341 HydrophobicContact CG-CG 4.41Å; K331-F341 HydrophobicContact CG-CZ 3.66Å; K331-F341 PolarHBondContact O-N 2.97Å; K331-F341 VanDerWaalsContact O-N 3.13Å
332	L	98.7	Very high	97.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71	-38.4	172.8	-67.6	169	0	0	0	112.2	W278 L328 L329 T334 R340 F341 V347	W278-L332 HydrophobicContact CB-CD2 4.41Å; W278-L332 HydrophobicContact CE3-CD2 4.23Å; L328-L332 HydrophobicContact CD1-CD1 4.35Å; L328-L332 HydrophobicContact CG-CD1 4.32Å; L328-L332 PolarHBondContact O-N 3Å; L329-L332 PolarHBondContact O-N 3.37Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 3.15Å; L332-R340 WeakPolarHBondContact O-CD 3.32Å; L332-R340 VanDerWaalsContact O-CG 3.23Å; L332-R340 WeakPolarHBondContact O-CG 3.43Å; L332-F341 HydrophobicContact CD2-CB 4.11Å; L332-V347 HydrophobicContact CD2-CG2 4.45Å
333	L	98.6	Very high	97.6	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	28	178.6	-62	174.9	0	0	0	112.8	W279 V283 Y286 P294 V315 L329 R330 V335	W279-L333 HydrophobicContact CD2-CD2 4.3Å; W279-L333 HydrophobicContact CE3-CD2 4.41Å; W279-L333 HydrophobicContact CZ2-CD2 4.44Å; W279-L333 VanDerWaalsContact CZ3-C 3.45Å; W279-L333 HydrophobicContact CZ3-CB 4.4Å; W279-L333 WeakPolarHBondContact CZ3-O 3.42Å; V283-L333 HydrophobicContact CB-CD2 4.49Å; V283-L333 HydrophobicContact CG2-CD2 3.66Å; Y286-L333 HydrophobicContact CD2-CD1 4.32Å; P294-L333 HydrophobicContact CB-CD1 4.39Å; P294-L333 HydrophobicContact CG-CD1 4.28Å; V315-L333 HydrophobicContact CG1-CD1 4.31Å; V315-L333 HydrophobicContact CG2-CD1 4.4Å; L329-L333 VanDerWaalsContact O-CB 3.25Å; L329-L333 WeakPolarHBondContact O-CB 3.43Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.45Å; R330-L333 CarbonylContact O-C 3.47Å; L333-V335 PolarHBondContact O-N 3.38Å
334	T	98.3	Very high	97.6	Very high	35 Å²	35	48 Å²	48	22%	0.215	24%	0.244	C	C	.	.			trans	-76.8	122.8	172.3	-66.7	0	0	0	0	109.2	R330 K331 L332 H339 R340	R330-T334 PolarHBondContact O-N 2.67Å; R330-T334 PolarHBondContact O-OG1 3.09Å; K331-T334 PolarHBondContact O-OG1 3.21Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 3.15Å; T334-H339 HydrophobicContact CG2-CB 3.79Å; T334-R340 PolarHBondContact O-NE 3.15Å; T334-R340 PolarHBondContact O-NH2 3.09Å
335	V	96.9	Very high	97.6	Very high	53 Å²	53	50.6 Å²	50.6	32%	0.321	26%	0.257	S	S	.	.	S	Bend	trans	-62.6	-45.2	-174.5	171.3	0	0	0	0	111.7	P259 W279 L333 P337 R340	P259-V335 HydrophobicContact CB-CG1 4.11Å; P259-V335 HydrophobicContact CG-CG1 4.04Å; P259-V335 HydrophobicContact CG-CG2 4.47Å; W279-V335 HydrophobicContact CH2-CG2 4.18Å; W279-V335 HydrophobicContact CZ3-CG2 4.23Å; L333-V335 PolarHBondContact O-N 3.38Å; V335-P337 WeakPolarHBondContact O-CD 3.49Å; V335-R340 PolarHBondContact O-NH2 3.43Å
336	N	95.7	Very high	97.6	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.342	27%	0.27	S	S	.	.	S	Bend	trans	-73	116.6	174.7	-176.3	-5	0	0	0	109.9	E338 H339 R340	N336-E338 PolarHBondContact O-N 3.02Å; N336-E338 PolarHBondContact OD1-N 3.23Å; N336-E338 VanDerWaalsContact OD1-N 3.09Å; N336-H339 PolarHBondContact O-N 3.05Å; N336-H339 VanDerWaalsContact O-N 3.12Å; N336-R340 PolarHBondContact O-N 3.33Å
337	P	95.9	Very high	97.5	Very high	29 Å²	29	52.5 Å²	52.5	19%	0.188	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.6	-178.9	25.7	-36.3	0	0	0	114	E260 E275 V335 H339 R340	E260-P337 HydrophobicContact CG-CG 4.5Å; E275-P337 HydrophobicContact CB-CB 4.02Å; E275-P337 HydrophobicContact CG-CB 3.6Å; V335-P337 WeakPolarHBondContact O-CD 3.49Å; P337-H339 PolarHBondContact O-N 3.4Å; P337-R340 WeakPolarHBondContact O-CB 3.39Å; P337-R340 PolarHBondContact O-N 2.73Å
338	E	94.9	Very high	97.4	Very high	163 Å²	163	54 Å²	54	76%	0.762	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.9	-16.2	178.2	-61.8	-178	160.1	0	0	113.8	N336	N336-E338 PolarHBondContact O-N 3.02Å; N336-E338 PolarHBondContact OD1-N 3.23Å; N336-E338 VanDerWaalsContact OD1-N 3.09Å
339	H	96.9	Very high	97.3	Very high	119 Å²	119	57.8 Å²	57.8	55%	0.551	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-112.9	-1.8	179.3	-61.9	-29.1	0	0	0	112.8	T334 N336 P337	T334-H339 HydrophobicContact CG2-CB 3.79Å; N336-H339 PolarHBondContact O-N 3.05Å; N336-H339 VanDerWaalsContact O-N 3.12Å; P337-H339 PolarHBondContact O-N 3.4Å
340	R	98.3	Very high	97.2	Very high	7 Å²	7	58 Å²	58	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-79.8	148.1	178.5	-165.5	-175.4	-61.5	145.5	3.6	109.5	E260 E275 K331 L332 T334 V335 N336 P337 S342	E260-R340 IonicContact OE1-CZ 2.68Å; E260-R340 IonicContact OE1-NH1 3.14Å; E260-R340 PolarHBondContact OE1-NH1 3.19Å; E260-R340 IonicContact OE1-NH2 2.96Å; E260-R340 PolarHBondContact OE1-NH2 3.19Å; E260-R340 IonicContact OE2-CZ 2.54Å; E260-R340 IonicContact OE2-NH1 3.13Å; E260-R340 IonicContact OE2-NH2 2.72Å; E260-R340 PolarHBondContact OE2-NH2 2.55Å; E275-R340 PolarHBondContact O-NH1 2.84Å; K331-R340 WeakPolarHBondContact O-CA 3.26Å; K331-R340 VanDerWaalsContact O-CG 3.3Å; K331-R340 WeakPolarHBondContact O-CG 3.48Å; L332-R340 WeakPolarHBondContact O-CD 3.32Å; L332-R340 VanDerWaalsContact O-CG 3.23Å; L332-R340 WeakPolarHBondContact O-CG 3.43Å; T334-R340 PolarHBondContact O-NE 3.15Å; T334-R340 PolarHBondContact O-NH2 3.09Å; V335-R340 PolarHBondContact O-NH2 3.43Å; N336-R340 PolarHBondContact O-N 3.33Å; P337-R340 WeakPolarHBondContact O-CB 3.39Å; P337-R340 PolarHBondContact O-N 2.73Å; R340-S342 PolarHBondContact O-N 3.11Å
341	F	98.3	Very high	97.1	Very high	32 Å²	32	56 Å²	56	14%	0.14	30%	0.304	C	S	.	.			trans	-67.3	121.9	164.6	-75.3	1.6	0	0	0	109.1	W278 L328 K331 L332 D346 V347 A350	W278-F341 VanDerWaalsContact CB-O 3.26Å; W278-F341 WeakPolarHBondContact CB-O 3.41Å; L328-F341 HydrophobicContact CD1-CD2 4.15Å; L328-F341 HydrophobicContact CD1-CE2 4.29Å; K331-F341 HydrophobicContact CB-CB 4.42Å; K331-F341 HydrophobicContact CB-CD1 3.77Å; K331-F341 HydrophobicContact CB-CD2 3.58Å; K331-F341 HydrophobicContact CB-CE1 3.9Å; K331-F341 HydrophobicContact CB-CE2 3.69Å; K331-F341 HydrophobicContact CB-CG 3.63Å; K331-F341 HydrophobicContact CB-CZ 3.88Å; K331-F341 HydrophobicContact CD-CD1 4.04Å; K331-F341 HydrophobicContact CD-CE1 3.69Å; K331-F341 HydrophobicContact CD-CZ 4.08Å; K331-F341 HydrophobicContact CG-CD1 4.13Å; K331-F341 HydrophobicContact CG-CD2 4.3Å; K331-F341 HydrophobicContact CG-CE1 3.76Å; K331-F341 HydrophobicContact CG-CE2 3.93Å; K331-F341 HydrophobicContact CG-CG 4.41Å; K331-F341 HydrophobicContact CG-CZ 3.66Å; K331-F341 PolarHBondContact O-N 2.97Å; K331-F341 VanDerWaalsContact O-N 3.13Å; L332-F341 HydrophobicContact CD2-CB 4.11Å; F341-D346 HydrophobicContact CB-CB 3.86Å; F341-D346 HydrophobicContact CD1-CB 3.68Å; F341-D346 HydrophobicContact CD2-CB 4.16Å; F341-D346 HydrophobicContact CE1-CB 4.17Å; F341-D346 WeakPolarHBondContact CE2-O 3.43Å; F341-D346 HydrophobicContact CG-CB 3.65Å; F341-V347 HydrophobicContact CB-CG2 4.21Å; F341-V347 HydrophobicContact CD2-CG2 4.12Å; F341-A350 HydrophobicContact CE2-CB 4.05Å
342	S	97.3	Very high	96.8	Very high	44 Å²	44	52.1 Å²	52.1	31%	0.308	29%	0.29	S	S	.	.			trans	-140.4	16	-173.2	57.1	0	0	0	0	113.3	W278 R340 D346	W278-S342 VanDerWaalsContact CE2-C 3.44Å; W278-S342 PolarHBondContact NE1-O 3.45Å; R340-S342 PolarHBondContact O-N 3.11Å; S342-D346 PolarHBondContact N-OD2 2.87Å; S342-D346 VanDerWaalsContact N-OD2 3.13Å
343	S	97.7	Very high	96.6	Very high	32 Å²	32	52.2 Å²	52.2	22%	0.224	29%	0.29	C	S	.	.	S	Bend	trans	-143.4	160.1	176.1	68.2	0	0	0	0	111.7	Q345 D346 V347	S343-Q345 PolarHBondContact O-N 3.36Å; S343-D346 PolarHBondContact N-OD2 3.07Å; S343-D346 PolarHBondContact O-N 3.41Å; S343-D346 PolarHBondContact OG-N 3.44Å; S343-D346 VanDerWaalsContact OG-N 3.17Å; S343-D346 PolarHBondContact OG-OD2 3.4Å; S343-V347 PolarHBondContact O-N 2.91Å
344	L	97.4	Very high	96.3	Very high	23 Å²	23	56 Å²	56	12%	0.12	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-37.5	172	-179	62.6	0	0	0	111.7	A201 L202 D205 D346 V347 Q348 W358	A201-L344 HydrophobicContact CB-CD1 4.24Å; L202-L344 HydrophobicContact CD2-CD1 4Å; L202-L344 HydrophobicContact CD2-CD2 3.85Å; L202-L344 HydrophobicContact CG-CD1 4.48Å; D205-L344 HydrophobicContact CB-CB 3.8Å; D205-L344 HydrophobicContact CB-CD2 4.41Å; D205-L344 WeakPolarHBondContact OD1-CB 3.33Å; D205-L344 PolarHBondContact OD1-N 2.77Å; L344-D346 PolarHBondContact O-N 3.09Å; L344-V347 PolarHBondContact O-N 3.19Å; L344-Q348 HydrophobicContact CD1-CG 4.17Å; L344-Q348 HydrophobicContact CG-CG 4.15Å; L344-Q348 WeakPolarHBondContact O-CB 3.43Å; L344-Q348 VanDerWaalsContact O-CG 3.25Å; L344-Q348 WeakPolarHBondContact O-CG 3.21Å; L344-Q348 PolarHBondContact O-N 2.85Å; L344-W358 HydrophobicContact CD1-CE3 3.96Å; L344-W358 HydrophobicContact CD1-CH2 4.03Å; L344-W358 HydrophobicContact CD1-CZ3 3.55Å
345	Q	97.2	Very high	95.8	Very high	153 Å²	153	57.9 Å²	57.9	72%	0.715	35%	0.349	S	S	*	.	H	α-helix	trans	-60.6	-43.5	179.3	-174.5	178.4	9.4	0	0	112	S343 V347 Q348 A349	S343-Q345 PolarHBondContact O-N 3.36Å; Q345-V347 VanDerWaalsContact C-N 3.32Å; Q345-V347 PolarHBondContact O-N 2.97Å; Q345-Q348 PolarHBondContact O-N 2.68Å; Q345-A349 WeakPolarHBondContact O-CB 3.09Å; Q345-A349 PolarHBondContact O-N 3.25Å
346	D	97	Very high	95.7	Very high	53 Å²	53	57 Å²	57	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-45.5	178.2	-66.5	-42.1	0	0	0	111.6	F341 S342 S343 L344 A349 A350	F341-D346 HydrophobicContact CB-CB 3.86Å; F341-D346 HydrophobicContact CD1-CB 3.68Å; F341-D346 HydrophobicContact CD2-CB 4.16Å; F341-D346 HydrophobicContact CE1-CB 4.17Å; F341-D346 WeakPolarHBondContact CE2-O 3.43Å; F341-D346 HydrophobicContact CG-CB 3.65Å; S342-D346 PolarHBondContact N-OD2 2.87Å; S342-D346 VanDerWaalsContact N-OD2 3.13Å; S343-D346 PolarHBondContact N-OD2 3.07Å; S343-D346 PolarHBondContact O-N 3.41Å; S343-D346 PolarHBondContact OG-N 3.44Å; S343-D346 VanDerWaalsContact OG-N 3.17Å; S343-D346 PolarHBondContact OG-OD2 3.4Å; L344-D346 PolarHBondContact O-N 3.09Å; D346-A349 PolarHBondContact O-N 2.79Å; D346-A350 PolarHBondContact O-N 3.07Å
347	V	96.3	Very high	95.6	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-71.5	-40	-177.5	174.7	0	0	0	0	110.6	I197 A201 W278 L332 F341 S343 L344 Q345 A349 A350 L353 W358	I197-V347 HydrophobicContact CG2-CG1 4.36Å; A201-V347 HydrophobicContact CB-CG1 4.33Å; W278-V347 HydrophobicContact CE3-CG2 4.07Å; W278-V347 HydrophobicContact CZ3-CB 4.42Å; W278-V347 HydrophobicContact CZ3-CG2 3.62Å; L332-V347 HydrophobicContact CD2-CG2 4.45Å; F341-V347 HydrophobicContact CB-CG2 4.21Å; F341-V347 HydrophobicContact CD2-CG2 4.12Å; S343-V347 PolarHBondContact O-N 2.91Å; L344-V347 PolarHBondContact O-N 3.19Å; Q345-V347 VanDerWaalsContact C-N 3.32Å; Q345-V347 PolarHBondContact O-N 2.97Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 2.86Å; V347-A350 WeakPolarHBondContact O-CB 3.47Å; V347-A350 PolarHBondContact O-N 3.46Å; V347-L353 HydrophobicContact CB-CD1 4.48Å; V347-L353 HydrophobicContact CG1-CD1 3.21Å; V347-L353 WeakPolarHBondContact O-CD1 3.47Å; V347-W358 HydrophobicContact CG1-CH2 4.15Å
348	Q	96.4	Very high	95.5	Very high	79 Å²	79	59.3 Å²	59.3	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-35	172.8	-78	-179.2	-17.8	0	0	113.3	L344 Q345 A350 W358	L344-Q348 HydrophobicContact CD1-CG 4.17Å; L344-Q348 HydrophobicContact CG-CG 4.15Å; L344-Q348 WeakPolarHBondContact O-CB 3.43Å; L344-Q348 VanDerWaalsContact O-CG 3.25Å; L344-Q348 WeakPolarHBondContact O-CG 3.21Å; L344-Q348 PolarHBondContact O-N 2.85Å; Q345-Q348 PolarHBondContact O-N 2.68Å; Q348-A350 PolarHBondContact O-N 2.88Å; Q348-W358 HydrophobicContact CB-CZ2 4.4Å; Q348-W358 HydrophobicContact CG-CD2 3.9Å; Q348-W358 VanDerWaalsContact CG-CE2 3.45Å; Q348-W358 HydrophobicContact CG-CE3 4.47Å; Q348-W358 HydrophobicContact CG-CG 4.32Å; Q348-W358 HydrophobicContact CG-CH2 4.2Å; Q348-W358 HydrophobicContact CG-CZ2 3.61Å
349	A	95.8	Very high	95.5	Very high	81 Å²	81	53.6 Å²	53.6	67%	0.669	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-8	177.5	0	0	0	0	0	113.6	Q345 D346 V347	Q345-A349 WeakPolarHBondContact O-CB 3.09Å; Q345-A349 PolarHBondContact O-N 3.25Å; D346-A349 PolarHBondContact O-N 2.79Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 2.86Å
350	A	96.8	Very high	95.4	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.033	33%	0.328	C	S	.	.	S	Bend	trans	-69.3	132.2	-178.4	0	0	0	0	0	111.4	L328 F341 D346 V347 Q348 A352 L353 A354	L328-A350 HydrophobicContact CD1-CB 3.94Å; F341-A350 HydrophobicContact CE2-CB 4.05Å; D346-A350 PolarHBondContact O-N 3.07Å; V347-A350 WeakPolarHBondContact O-CB 3.47Å; V347-A350 PolarHBondContact O-N 3.46Å; Q348-A350 PolarHBondContact O-N 2.88Å; A350-A352 PolarHBondContact O-N 3.27Å; A350-A352 VanDerWaalsContact O-N 3.09Å; A350-L353 HydrophobicContact CB-CG 4.42Å; A350-L353 PolarHBondContact O-N 3.18Å; A350-A354 PolarHBondContact O-N 3.23Å
351	P	95.6	Very high	95.2	Very high	101 Å²	101	51.7 Å²	51.7	66%	0.656	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31.7	176.3	-28.4	35.7	0	0	0	113.8	E324 L353 A354	E324-P351 HydrophobicContact CG-CB 4.39Å; P351-L353 PolarHBondContact O-N 3.38Å; P351-L353 VanDerWaalsContact O-N 3.13Å; P351-A354 PolarHBondContact O-N 3.36Å
352	A	93.7	Very high	95	Very high	14 Å²	14	52.9 Å²	52.9	12%	0.116	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.8	175.8	0	0	0	0	0	113.6	R194 E324 L328 A350	R194-A352 WeakPolarHBondContact CD-O 3.32Å; R194-A352 PolarHBondContact NE-O 3.29Å; R194-A352 VanDerWaalsContact NE-O 3.08Å; E324-A352 HydrophobicContact CB-CB 3.79Å; L328-A352 HydrophobicContact CB-CB 4.05Å; L328-A352 HydrophobicContact CD2-CB 4.01Å; A350-A352 PolarHBondContact O-N 3.27Å; A350-A352 VanDerWaalsContact O-N 3.09Å
353	L	94.8	Very high	94.9	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-116.7	9	-173	-53	-168.9	0	0	0	113.2	R194 L328 V347 A350 P351 G355 V356 W358	R194-L353 HydrophobicContact CG-CD2 3.14Å; L328-L353 HydrophobicContact CD2-CD1 4.49Å; L328-L353 HydrophobicContact CD2-CD2 4.22Å; L328-L353 HydrophobicContact CD2-CG 4.32Å; V347-L353 HydrophobicContact CB-CD1 4.48Å; V347-L353 HydrophobicContact CG1-CD1 3.21Å; V347-L353 WeakPolarHBondContact O-CD1 3.47Å; A350-L353 HydrophobicContact CB-CG 4.42Å; A350-L353 PolarHBondContact O-N 3.18Å; P351-L353 PolarHBondContact O-N 3.38Å; P351-L353 VanDerWaalsContact O-N 3.13Å; L353-G355 PolarHBondContact O-N 3.13Å; L353-G355 VanDerWaalsContact O-N 3.08Å; L353-V356 HydrophobicContact CB-CG2 4.05Å; L353-V356 HydrophobicContact CD2-CG2 4.27Å; L353-V356 VanDerWaalsContact O-CB 3.31Å; L353-V356 WeakPolarHBondContact O-CB 3.14Å; L353-V356 WeakPolarHBondContact O-CG2 3.24Å; L353-V356 PolarHBondContact O-N 2.76Å; L353-W358 HydrophobicContact CB-CZ2 4.26Å; L353-W358 HydrophobicContact CD1-CH2 3.93Å; L353-W358 HydrophobicContact CD1-CZ2 3.73Å
354	A	90.7	Very high	94.8	Very high	87 Å²	87	55.6 Å²	55.6	72%	0.719	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.2	-174.5	0	0	0	0	0	114.4	A350 P351	A350-A354 PolarHBondContact O-N 3.23Å; P351-A354 PolarHBondContact O-N 3.36Å
355	G	88.9	Confident	94.6	Very high	75 Å²	75	62 Å²	62	77%	0.773	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.5	177.4	0	0	0	0	0	115	L353	L353-G355 PolarHBondContact O-N 3.13Å; L353-G355 VanDerWaalsContact O-N 3.08Å
356	V	93.3	Very high	94.4	Very high	34 Å²	34	57 Å²	57	21%	0.206	35%	0.346	C	S	.	.			trans	-78.2	126.2	-174.6	174.5	0	0	0	0	110.8	L353 W358 L361	L353-V356 HydrophobicContact CB-CG2 4.05Å; L353-V356 HydrophobicContact CD2-CG2 4.27Å; L353-V356 VanDerWaalsContact O-CB 3.31Å; L353-V356 WeakPolarHBondContact O-CB 3.14Å; L353-V356 WeakPolarHBondContact O-CG2 3.24Å; L353-V356 PolarHBondContact O-N 2.76Å; V356-W358 HydrophobicContact CG1-CD2 3.96Å; V356-W358 HydrophobicContact CG1-CG 4.17Å; V356-W358 HydrophobicContact CG1-CZ2 4.24Å; V356-W358 VanDerWaalsContact O-CD1 3.24Å; V356-W358 PolarHBondContact O-N 2.99Å; V356-L361 HydrophobicContact CG1-CD1 3.22Å; V356-L361 HydrophobicContact CG1-CG 4.15Å
357	L	93.6	Very high	94.1	Very high	106 Å²	106	61.9 Å²	61.9	56%	0.555	37%	0.367	S	S	*	.			trans	-89	86.7	174	-61.7	177.7	0	0	0	110.1	G359 H360 L361	L357-G359 VanDerWaalsContact C-N 3.33Å; L357-G359 PolarHBondContact O-N 3.33Å; L357-H360 HydrophobicContact CB-CB 4.02Å; L357-H360 WeakPolarHBondContact CD1-ND1 3.33Å; L357-H360 WeakPolarHBondContact O-CB 3.42Å; L357-H360 PolarHBondContact O-N 2.7Å; L357-L361 PolarHBondContact O-N 3.23Å
358	W	95.3	Very high	93.9	Very high	37 Å²	37	62.4 Å²	62.4	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-58.8	-36.1	-173.6	-65.2	90	0	0	0	114.7	C198 L202 L344 V347 Q348 L353 V356 H360 L361 S362	C198-W358 HydrophobicContact CB-CH2 3.91Å; C198-W358 HydrophobicContact CB-CZ3 3.81Å; L202-W358 HydrophobicContact CD1-CE3 4.28Å; L202-W358 HydrophobicContact CD2-CE3 4.1Å; L202-W358 HydrophobicContact CD2-CZ3 4.47Å; L202-W358 HydrophobicContact CG-CE3 4.13Å; L202-W358 HydrophobicContact CG-CZ3 4.19Å; L344-W358 HydrophobicContact CD1-CE3 3.96Å; L344-W358 HydrophobicContact CD1-CH2 4.03Å; L344-W358 HydrophobicContact CD1-CZ3 3.55Å; V347-W358 HydrophobicContact CG1-CH2 4.15Å; Q348-W358 HydrophobicContact CB-CZ2 4.4Å; Q348-W358 HydrophobicContact CG-CD2 3.9Å; Q348-W358 VanDerWaalsContact CG-CE2 3.45Å; Q348-W358 HydrophobicContact CG-CE3 4.47Å; Q348-W358 HydrophobicContact CG-CG 4.32Å; Q348-W358 HydrophobicContact CG-CH2 4.2Å; Q348-W358 HydrophobicContact CG-CZ2 3.61Å; L353-W358 HydrophobicContact CB-CZ2 4.26Å; L353-W358 HydrophobicContact CD1-CH2 3.93Å; L353-W358 HydrophobicContact CD1-CZ2 3.73Å; V356-W358 HydrophobicContact CG1-CD2 3.96Å; V356-W358 HydrophobicContact CG1-CG 4.17Å; V356-W358 HydrophobicContact CG1-CZ2 4.24Å; V356-W358 VanDerWaalsContact O-CD1 3.24Å; V356-W358 PolarHBondContact O-N 2.99Å; W358-H360 VanDerWaalsContact C-N 3.32Å; W358-H360 PolarHBondContact O-N 2.93Å; W358-L361 HydrophobicContact CD2-CD1 4.34Å; W358-L361 HydrophobicContact CE3-CD1 4.01Å; W358-L361 HydrophobicContact CZ3-CD1 4.42Å; W358-L361 WeakPolarHBondContact O-CB 3.31Å; W358-L361 PolarHBondContact O-N 2.9Å; W358-S362 PolarHBondContact O-N 3.24Å; W358-S362 PolarHBondContact O-OG 3.03Å
359	G	94.3	Very high	93.6	Very high	43 Å²	43	63.9 Å²	63.9	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-34.9	173.8	0	0	0	0	0	113.1	L357 L361 S362 E363	L357-G359 VanDerWaalsContact C-N 3.33Å; L357-G359 PolarHBondContact O-N 3.33Å; G359-L361 VanDerWaalsContact C-N 3.35Å; G359-S362 WeakPolarHBondContact CA-OG 3.36Å; G359-S362 PolarHBondContact O-OG 2.81Å; G359-E363 WeakPolarHBondContact O-CG 3.5Å; G359-E363 PolarHBondContact O-N 2.75Å
360	H	95.3	Very high	93.4	Very high	82 Å²	82	62 Å²	62	38%	0.38	36%	0.358	S	S	.	.	H	α-helix	trans	-71.8	-32.2	173.6	-70.5	-174.9	0	0	0	111.7	L357 W358 E363 K364 R365 V366	L357-H360 HydrophobicContact CB-CB 4.02Å; L357-H360 WeakPolarHBondContact CD1-ND1 3.33Å; L357-H360 WeakPolarHBondContact O-CB 3.42Å; L357-H360 PolarHBondContact O-N 2.7Å; W358-H360 VanDerWaalsContact C-N 3.32Å; W358-H360 PolarHBondContact O-N 2.93Å; H360-E363 CarbonylContact O-C 3.56Å; H360-E363 PolarHBondContact O-N 2.75Å; H360-K364 PolarHBondContact O-N 3.49Å; H360-R365 HydrophobicContact CB-CB 4.05Å; H360-R365 PolarHBondContact O-N 2.95Å; H360-V366 HydrophobicContact CB-CG2 3.94Å
361	L	94.6	Very high	93	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-64.9	-49.5	173.7	-73.6	175	0	0	0	111.6	F152 L195 C198 L202 V356 L357 W358 G359 E363 K364 V366	F152-L361 WeakPolarHBondContact CZ-O 3.45Å; L195-L361 HydrophobicContact CD1-CD2 3.2Å; C198-L361 HydrophobicContact CB-CD1 3.5Å; C198-L361 VanDerWaalsContact CB-CD1 3.5Å; L202-L361 HydrophobicContact CD1-CB 4.03Å; V356-L361 HydrophobicContact CG1-CD1 3.22Å; V356-L361 HydrophobicContact CG1-CG 4.15Å; L357-L361 PolarHBondContact O-N 3.23Å; W358-L361 HydrophobicContact CD2-CD1 4.34Å; W358-L361 HydrophobicContact CE3-CD1 4.01Å; W358-L361 HydrophobicContact CZ3-CD1 4.42Å; W358-L361 WeakPolarHBondContact O-CB 3.31Å; W358-L361 PolarHBondContact O-N 2.9Å; G359-L361 VanDerWaalsContact C-N 3.35Å; L361-E363 PolarHBondContact O-N 3.03Å; L361-E363 VanDerWaalsContact O-N 3.09Å; L361-K364 WeakPolarHBondContact O-CA 3.28Å; L361-K364 PolarHBondContact O-N 3.08Å; L361-V366 HydrophobicContact CD2-CB 3.73Å; L361-V366 HydrophobicContact CD2-CG1 4.2Å; L361-V366 HydrophobicContact CD2-CG2 3.63Å; L361-V366 HydrophobicContact CG-CG2 3.94Å
362	S	93.9	Very high	92.5	Very high	57 Å²	57	60.4 Å²	60.4	40%	0.399	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-26.2	178.5	55	0	0	0	0	112.9	W358 G359	W358-S362 PolarHBondContact O-N 3.24Å; W358-S362 PolarHBondContact O-OG 3.03Å; G359-S362 WeakPolarHBondContact CA-OG 3.36Å; G359-S362 PolarHBondContact O-OG 2.81Å
363	E	95.4	Very high	91.8	Very high	100 Å²	100	65.6 Å²	65.6	47%	0.467	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.9	175.8	-64.1	174.9	157.7	0	0	113.6	G359 H360 L361 R365	G359-E363 WeakPolarHBondContact O-CG 3.5Å; G359-E363 PolarHBondContact O-N 2.75Å; H360-E363 CarbonylContact O-C 3.56Å; H360-E363 PolarHBondContact O-N 2.75Å; L361-E363 PolarHBondContact O-N 3.03Å; L361-E363 VanDerWaalsContact O-N 3.09Å; E363-R365 HydrophobicContact CB-CG 3.99Å; E363-R365 PolarHBondContact O-N 3.1Å; E363-R365 IonicContact OE1-NH2 3.98Å; E363-R365 WeakPolarHBondContact OE2-CD 3.42Å; E363-R365 IonicContact OE2-CZ 3.92Å; E363-R365 IonicContact OE2-NE 3.68Å; E363-R365 PolarHBondContact OE2-NE 2.84Å; E363-R365 IonicContact OE2-NH1 2.74Å; E363-R365 PolarHBondContact OE2-NH1 2.75Å; E363-R365 IonicContact OE2-NH2 2.79Å; E363-R365 PolarHBondContact OE2-NH2 2.96Å; E363-R365 VanDerWaalsContact OE2-NH2 3.08Å
364	K	94.5	Very high	90.4	Very high	33 Å²	33	74.1 Å²	74.1	14%	0.143	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.6	-175.1	-70	-180	167.6	165.5	0	113.7	V151 F152 D225 R227 H231 H360 L361	V151-K364 HydrophobicContact CG2-CD 3.84Å; V151-K364 HydrophobicContact CG2-CG 4.1Å; V151-K364 VanDerWaalsContact O-CE 3.24Å; V151-K364 WeakPolarHBondContact O-CE 3.47Å; V151-K364 PolarHBondContact O-NZ 3.37Å; F152-K364 HydrophobicContact CE1-CD 4.34Å; F152-K364 HydrophobicContact CE1-CG 3.84Å; F152-K364 HydrophobicContact CZ-CG 4.01Å; D225-K364 IonicContact OD2-NZ 2.63Å; R227-K364 PolarHBondContact NH1-O 3.17Å; R227-K364 PolarHBondContact NH2-O 2.93Å; H231-K364 PolarHBondContact CE1-NZ 3.41Å; H231-K364 VanDerWaalsContact CE1-NZ 3.33Å; H231-K364 PolarHBondContact NE2-NZ 2.97Å; H360-K364 PolarHBondContact O-N 3.49Å; L361-K364 WeakPolarHBondContact O-CA 3.28Å; L361-K364 PolarHBondContact O-N 3.08Å
365	R	94.1	Very high	88.8	Confident	157 Å²	157	72 Å²	72	59%	0.592	40%	0.395	S	S	*	.			trans	-90.6	-18.7	176.3	-68.1	-175.6	179.5	162.3	13.7	113.6	H360 E363	H360-R365 HydrophobicContact CB-CB 4.05Å; H360-R365 PolarHBondContact O-N 2.95Å; E363-R365 HydrophobicContact CB-CG 3.99Å; E363-R365 PolarHBondContact O-N 3.1Å; E363-R365 IonicContact OE1-NH2 3.98Å; E363-R365 WeakPolarHBondContact OE2-CD 3.42Å; E363-R365 IonicContact OE2-CZ 3.92Å; E363-R365 IonicContact OE2-NE 3.68Å; E363-R365 PolarHBondContact OE2-NE 2.84Å; E363-R365 IonicContact OE2-NH1 2.74Å; E363-R365 PolarHBondContact OE2-NH1 2.75Å; E363-R365 IonicContact OE2-NH2 2.79Å; E363-R365 PolarHBondContact OE2-NH2 2.96Å; E363-R365 VanDerWaalsContact OE2-NH2 3.08Å
366	V	92.9	Very high	87.7	Confident	49 Å²	49	76 Å²	76	30%	0.297	39%	0.387	S	S	.	.	S	Bend	trans	-78.9	123.1	173.3	-176.5	0	0	0	0	108.3	L195 H229 H360 L361	L195-V366 HydrophobicContact CD1-CG1 4.15Å; H229-V366 PolarHBondContact CE1-O 3.44Å; H360-V366 HydrophobicContact CB-CG2 3.94Å; L361-V366 HydrophobicContact CD2-CB 3.73Å; L361-V366 HydrophobicContact CD2-CG1 4.2Å; L361-V366 HydrophobicContact CD2-CG2 3.63Å; L361-V366 HydrophobicContact CG-CG2 3.94Å
367	E	90.3	Very high	86.4	Confident	155 Å²	155	75.6 Å²	75.6	72%	0.724	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-82.2	129	-179.5	-63.6	-166.2	149.3	0	0	111.1
368	P	91.9	Very high	85.2	Confident	11 Å²	11	71.2 Å²	71.2	7%	0.071	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-66.8	136.1	171.9	-20.1	32.3	0	0	0	112.4	L195 R227 F370	L195-P368 HydrophobicContact CD2-CB 3.71Å; L195-P368 HydrophobicContact CD2-CG 3.77Å; R227-P368 WeakPolarHBondContact O-CD 3.36Å; R227-P368 WeakPolarHBondContact O-CG 3.27Å; P368-F370 VanDerWaalsContact C-N 3.31Å; P368-F370 PolarHBondContact O-N 3.33Å
369	D	90.4	Very high	83.8	Confident	110 Å²	110	70.4 Å²	70.4	59%	0.588	36%	0.36	S	S	*	.	S	Bend	trans	-65.5	-36.9	174.2	-70.4	-22.2	0	0	0	112	D191	D191-D369 WeakPolarHBondContact CB-OD2 3.44Å
370	F	91.3	Very high	82.3	Confident	43 Å²	43	71.9 Å²	71.9	19%	0.189	36%	0.358	C	S	.	.			trans	-92.5	114.8	176.3	179.8	-98.3	0	0	0	110.5	H181 V186 F188 T192 Y196 L224 P368 P372	H181-F370 AromaticContact CE1-CZ 3.89Å; H181-F370 AromaticContact ND1-CE1 3.95Å; H181-F370 AromaticContact ND1-CZ 3.52Å; V186-F370 HydrophobicContact CG1-CD2 4.07Å; V186-F370 HydrophobicContact CG1-CE2 3.54Å; V186-F370 HydrophobicContact CG1-CZ 4.03Å; V186-F370 HydrophobicContact CG2-CE2 4.33Å; V186-F370 HydrophobicContact CG2-CZ 4.39Å; F188-F370 HydrophobicContact CD1-CB 4.41Å; F188-F370 HydrophobicContact CD1-CD1 4.48Å; F188-F370 HydrophobicContact CD1-CD2 4.49Å; F188-F370 HydrophobicContact CD1-CG 4.21Å; F188-F370 HydrophobicContact CE1-CB 4.47Å; F188-F370 AromaticContact CE1-CD1 3.74Å; F188-F370 HydrophobicContact CE1-CD1 3.74Å; F188-F370 HydrophobicContact CE1-CD2 4.19Å; F188-F370 AromaticContact CE1-CE1 3.91Å; F188-F370 HydrophobicContact CE1-CE1 3.91Å; F188-F370 HydrophobicContact CE1-CE2 4.37Å; F188-F370 AromaticContact CE1-CG 3.86Å; F188-F370 HydrophobicContact CE1-CG 3.86Å; F188-F370 HydrophobicContact CE1-CZ 4.23Å; F188-F370 HydrophobicContact CZ-CE1 4.5Å; T192-F370 HydrophobicContact CG2-CB 3.76Å; Y196-F370 WeakPolarHBondContact OH-CD1 3.45Å; L224-F370 HydrophobicContact CD1-CD1 3.9Å; L224-F370 HydrophobicContact CD1-CE1 3.64Å; P368-F370 VanDerWaalsContact C-N 3.31Å; P368-F370 PolarHBondContact O-N 3.33Å; F370-P372 HydrophobicContact CE1-CG 3.99Å
371	V	89.1	Confident	80.6	Confident	64 Å²	64	72.2 Å²	72.2	39%	0.388	37%	0.367	S	S	.	.			trans	-116.1	120.4	173.3	-174.7	0	0	0	0	109
372	P	84.6	Confident	79	Confident	7 Å²	7	75.3 Å²	75.3	5%	0.045	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-55	140.8	175.2	-26	34.3	0	0	0	111.9	L224 F370 K374	L224-P372 HydrophobicContact CB-CG 3.95Å; L224-P372 HydrophobicContact CD1-CG 3.72Å; F370-P372 HydrophobicContact CE1-CG 3.99Å; P372-K374 PolarHBondContact O-N 3.35Å; P372-K374 VanDerWaalsContact O-N 3.1Å
373	N	78.3	Confident	77.6	Confident	123 Å²	123	74.9 Å²	74.9	66%	0.658	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-57.6	119.9	-177	-77.4	-44.8	0	0	0	111.8	G375 H378	N373-G375 PolarHBondContact O-N 3.33Å; N373-H378 PolarHBondContact N-NE2 3.21Å; N373-H378 PolarHBondContact O-NE2 3.44Å
374	K	65.9	Low	75.8	Confident	181 Å²	181	72.2 Å²	72.2	79%	0.787	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	129.7	-179.8	-64	-175.6	179.6	-178.4	0	110.9	P372	P372-K374 PolarHBondContact O-N 3.35Å; P372-K374 VanDerWaalsContact O-N 3.1Å
375	G	57.8	Low	73.9	Confident	42 Å²	42	75.3 Å²	75.3	43%	0.433	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	3.8	173	0	0	0	0	0	116.1	N373	N373-G375 PolarHBondContact O-N 3.33Å
376	R	64.7	Low	72.2	Confident	159 Å²	159	70.4 Å²	70.4	60%	0.6	37%	0.366	S	S	*	.	S	Bend	trans	-112.4	132.2	164.3	-170.3	176.6	-178.8	-175.5	-2.5	107.7	H378	R376-H378 PolarHBondContact O-CD2 3.39Å; R376-H378 PolarHBondContact O-N 3.5Å; R376-H378 PolarHBondContact O-NE2 2.91Å
377	L	66.3	Low	70.5	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.136	36%	0.36	C	S	.	.			trans	-74.3	125.8	165.2	-73.5	179.1	0	0	0	107.7	I99 I109 L174 C379	I99-L377 HydrophobicContact CG2-CD1 4.01Å; I109-L377 HydrophobicContact CD1-CD1 3.92Å; I109-L377 HydrophobicContact CD1-CD2 4.13Å; L174-L377 HydrophobicContact CD2-CD2 3.83Å; L377-C379 PolarHBondContact O-N 3.07Å
378	H	68.8	Low	68.6	Low	13 Å²	13	70.2 Å²	70.2	6%	0.06	36%	0.364	C	S	.	.			trans	-90.2	53.6	178.3	-61.4	-74	0	0	0	109.5	G175 G176 Y180 H181 N373 R376	G175-H378 WeakPolarHBondContact O-CB 3.36Å; G176-H378 WeakPolarHBondContact CA-O 3.49Å; Y180-H378 HydrophobicContact CD1-CB 3.7Å; Y180-H378 HydrophobicContact CE1-CB 3.6Å; Y180-H378 AromaticContact CE1-ND1 3.61Å; H181-H378 AromaticContact CE1-CG 3.98Å; N373-H378 PolarHBondContact N-NE2 3.21Å; N373-H378 PolarHBondContact O-NE2 3.44Å; R376-H378 PolarHBondContact O-CD2 3.39Å; R376-H378 PolarHBondContact O-N 3.5Å; R376-H378 PolarHBondContact O-NE2 2.91Å
379	C	65.4	Low	66.9	Low	20 Å²	20	75.3 Å²	75.3	14%	0.135	39%	0.389	C	S	.	.	S	Bend	trans	-125.5	163.3	175.2	65.3	0	0	0	0	109.6	I99 L377 P381	I99-C379 WeakPolarHBondContact O-CB 3.41Å; L377-C379 PolarHBondContact O-N 3.07Å; C379-P381 WeakPolarHBondContact O-CD 3.35Å
380	D	63.5	Low	65.1	Low	75 Å²	75	76.4 Å²	76.4	40%	0.401	40%	0.395	S	S	.	.			trans	-64.5	119.6	177.1	-169.6	-33	0	0	0	110.2	T382 F383	D380-T382 PolarHBondContact O-N 3.11Å; D380-T382 VanDerWaalsContact O-N 3.14Å; D380-T382 VanDerWaalsContact OD1-CB 3.31Å; D380-T382 WeakPolarHBondContact OD1-CB 3.2Å; D380-T382 VanDerWaalsContact OD1-CG2 3.28Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.23Å; D380-T382 PolarHBondContact OD1-N 3.48Å; D380-T382 PolarHBondContact OD1-OG1 3.37Å; D380-T382 PolarHBondContact OD2-OG1 3.03Å; D380-F383 HydrophobicContact CB-CD2 3.87Å; D380-F383 HydrophobicContact CB-CE2 3.61Å; D380-F383 HydrophobicContact CB-CZ 4.33Å; D380-F383 VanDerWaalsContact O-CD2 3.28Å; D380-F383 WeakPolarHBondContact O-CD2 3.25Å; D380-F383 PolarHBondContact O-N 3Å
381	P	59.7	Low	63.4	Low	89 Å²	89	76.6 Å²	76.6	58%	0.578	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.1	-178.5	26.8	-34.3	0	0	0	113.8	C379 F383	C379-P381 WeakPolarHBondContact O-CD 3.35Å; P381-F383 PolarHBondContact O-N 3.29Å
382	T	61.1	Low	61.5	Low	67 Å²	67	79 Å²	79	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-29	175.6	56.6	0	0	0	0	112.6	D380 E384 L385 E386	D380-T382 PolarHBondContact O-N 3.11Å; D380-T382 VanDerWaalsContact O-N 3.14Å; D380-T382 VanDerWaalsContact OD1-CB 3.31Å; D380-T382 WeakPolarHBondContact OD1-CB 3.2Å; D380-T382 VanDerWaalsContact OD1-CG2 3.28Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.23Å; D380-T382 PolarHBondContact OD1-N 3.48Å; D380-T382 PolarHBondContact OD1-OG1 3.37Å; D380-T382 PolarHBondContact OD2-OG1 3.03Å; T382-E384 PolarHBondContact O-N 2.75Å; T382-L385 PolarHBondContact O-N 3.39Å; T382-L385 VanDerWaalsContact O-N 3.15Å; T382-E386 WeakPolarHBondContact O-CG 3.49Å; T382-E386 PolarHBondContact O-N 2.5Å
383	F	63.8	Low	60.4	Low	48 Å²	48	85.3 Å²	85.3	21%	0.211	44%	0.438	C	S	.	.	H	α-helix	trans	-64.1	-37.8	-179.5	-62.8	-50.4	0	0	0	113.3	K101 D380 P381 E387	K101-F383 HydrophobicContact CB-CD1 3.72Å; K101-F383 HydrophobicContact CB-CE1 3.38Å; K101-F383 HydrophobicContact CB-CZ 4.22Å; K101-F383 HydrophobicContact CD-CE1 4.33Å; D380-F383 HydrophobicContact CB-CD2 3.87Å; D380-F383 HydrophobicContact CB-CE2 3.61Å; D380-F383 HydrophobicContact CB-CZ 4.33Å; D380-F383 VanDerWaalsContact O-CD2 3.28Å; D380-F383 WeakPolarHBondContact O-CD2 3.25Å; D380-F383 PolarHBondContact O-N 3Å; P381-F383 PolarHBondContact O-N 3.29Å; F383-E387 PolarHBondContact O-N 2.74Å
384	E	58.4	Low	59.5	Low	45 Å²	45	81.1 Å²	81.1	21%	0.21	42%	0.418	C	S	.	.	H	α-helix	trans	-68.6	-38.1	173.9	-75.7	159.4	-130	0	0	112.4	R97 T382 E387 M388	R97-E384 HydrophobicContact CG-CG 3.94Å; R97-E384 IonicContact CZ-OE1 3.5Å; R97-E384 IonicContact CZ-OE2 2.84Å; R97-E384 IonicContact NE-OE1 2.97Å; R97-E384 PolarHBondContact NE-OE1 3.25Å; R97-E384 IonicContact NE-OE2 3.19Å; R97-E384 PolarHBondContact NE-OE2 2.96Å; R97-E384 VanDerWaalsContact NE-OE2 3.14Å; R97-E384 IonicContact NH2-OE1 3.49Å; R97-E384 PolarHBondContact NH2-OE1 3.32Å; R97-E384 IonicContact NH2-OE2 3.99Å; R97-E384 PolarHBondContact NH2-OE2 3.48Å; T382-E384 PolarHBondContact O-N 2.75Å; E384-E387 PolarHBondContact O-N 3Å; E384-M388 PolarHBondContact O-N 3.25Å
385	L	53.8	Low	59.4	Low	98 Å²	98	73 Å²	73	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-69.6	-38.8	-178.9	-162.1	67.1	0	0	0	110.6	T382 E387 M388 I389	T382-L385 PolarHBondContact O-N 3.39Å; T382-L385 VanDerWaalsContact O-N 3.15Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.46Å; L385-M388 PolarHBondContact O-N 2.91Å; L385-I389 HydrophobicContact CD1-CD1 3.39Å; L385-I389 HydrophobicContact CD1-CG1 4.11Å; L385-I389 HydrophobicContact CG-CD1 3.74Å; L385-I389 HydrophobicContact CG-CG1 4.39Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.37Å; L385-I389 PolarHBondContact O-N 3.19Å
386	E	59	Low	59.7	Low	54 Å²	54	76 Å²	76	25%	0.252	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-42.4	171.2	-73.7	-166.7	171.7	0	0	111.8	K101 T382 L390 E391	K101-E386 IonicContact NZ-OE1 3.55Å; K101-E386 PolarHBondContact NZ-OE1 2.93Å; K101-E386 IonicContact NZ-OE2 3.57Å; K101-E386 PolarHBondContact NZ-OE2 3.35Å; T382-E386 WeakPolarHBondContact O-CG 3.49Å; T382-E386 PolarHBondContact O-N 2.5Å; E386-L390 HydrophobicContact CB-CD1 4.48Å; E386-L390 HydrophobicContact CG-CD1 4.09Å; E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3Å; E386-E391 PolarHBondContact O-N 3.48Å
387	E	55.9	Low	59.6	Low	36 Å²	36	75.1 Å²	75.1	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-45.3	177.4	-168	-175.9	178.4	0	0	111.9	A98 F383 E384 L385 H396	A98-E387 HydrophobicContact CB-CB 4.39Å; A98-E387 WeakPolarHBondContact CB-OE2 3.3Å; A98-E387 PolarHBondContact N-OE2 2.93Å; F383-E387 PolarHBondContact O-N 2.74Å; E384-E387 PolarHBondContact O-N 3Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.46Å; E387-H396 IonicContact OE1-CE1 2.66Å
388	M	52	Low	59.7	Low	163 Å²	163	74 Å²	74	80%	0.803	38%	0.38	S	S	*	.	H	α-helix	trans	-72	-32.1	-177.7	-88	-175.9	52.5	0	0	114.2	E384 L385	E384-M388 PolarHBondContact O-N 3.25Å; L385-M388 PolarHBondContact O-N 2.91Å
389	I	54.6	Low	59.6	Low	119 Å²	119	80.2 Å²	80.2	61%	0.61	41%	0.407	S	S	*	.	H	α-helix	trans	-110.8	-36.5	-167.9	-57	-173.7	0	0	0	113	L385	L385-I389 HydrophobicContact CD1-CD1 3.39Å; L385-I389 HydrophobicContact CD1-CG1 4.11Å; L385-I389 HydrophobicContact CG-CD1 3.74Å; L385-I389 HydrophobicContact CG-CG1 4.39Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.37Å; L385-I389 PolarHBondContact O-N 3.19Å
390	L	52.8	Low	59.6	Low	133 Å²	133	87.8 Å²	87.8	70%	0.696	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-15.9	-164.5	-71.6	163.2	0	0	0	114.4	E386 S392	E386-L390 HydrophobicContact CB-CD1 4.48Å; E386-L390 HydrophobicContact CG-CD1 4.09Å; E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3Å; L390-S392 PolarHBondContact O-N 3.48Å
391	E	55.8	Low	60.2	Low	46 Å²	46	86.4 Å²	86.4	22%	0.215	43%	0.427	C	S	.	.			trans	-77.7	109.8	-176.3	-84.5	-171.5	-177.6	0	0	113.6	K106 E386 R393	K106-E391 WeakPolarHBondContact CE-OE1 3.31Å; K106-E391 IonicContact NZ-OE1 3.11Å; K106-E391 PolarHBondContact NZ-OE1 3.23Å; E386-E391 PolarHBondContact O-N 3.48Å; E391-R393 PolarHBondContact O-N 2.64Å
392	S	50.3	Low	60.6	Low	114 Å²	114	83.5 Å²	83.5	80%	0.797	41%	0.406	S	S	*	.	S	Bend	trans	-66.7	-17.9	169.2	59.6	0	0	0	0	113.1	L390	L390-S392 PolarHBondContact O-N 3.48Å
393	R	59.9	Low	61	Low	141 Å²	141	83.4 Å²	83.4	53%	0.532	41%	0.412	S	S	.	.	S	Bend	trans	-139.4	64.1	-171.1	-77.3	-168.2	-173.9	-172	8	114.2	E391 R401	E391-R393 PolarHBondContact O-N 2.64Å; R393-R401 VanDerWaalsContact C-NH1 3.31Å; R393-R401 VanDerWaalsContact CB-NH1 3.25Å; R393-R401 PolarHBondContact O-NH1 2.83Å
394	P	60.5	Low	61.2	Low	34 Å²	34	87.9 Å²	87.9	22%	0.221	43%	0.431	C	S	.	.			trans	-59.6	140.6	-175.5	-19.7	30.9	0	0	0	113.6	H396 K397 K398	P394-H396 PolarHBondContact O-N 3.06Å; P394-K397 HydrophobicContact CG-CD 4.41Å; P394-K397 PolarHBondContact O-N 3.38Å; P394-K397 VanDerWaalsContact O-N 3.11Å; P394-K398 PolarHBondContact O-N 3.36Å
395	L	62.8	Low	61.5	Low	10 Å²	10	88.1 Å²	88.1	5%	0.052	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-60.3	-40.7	-178.7	-86.5	97.5	0	0	0	113.1	F90 I95 Y123 F167 K397 K398	F90-L395 HydrophobicContact CE2-CD2 3.94Å; F90-L395 HydrophobicContact CZ-CB 4.45Å; F90-L395 HydrophobicContact CZ-CD2 4.08Å; I95-L395 HydrophobicContact CD1-CB 3.49Å; I95-L395 VanDerWaalsContact CD1-CB 3.49Å; I95-L395 HydrophobicContact CD1-CD2 3.73Å; I95-L395 HydrophobicContact CD1-CG 4.2Å; Y123-L395 HydrophobicContact CD1-CD1 4.4Å; Y123-L395 HydrophobicContact CD1-CD2 3.9Å; Y123-L395 HydrophobicContact CD2-CD1 4.39Å; Y123-L395 HydrophobicContact CD2-CD2 4.22Å; Y123-L395 HydrophobicContact CE1-CD1 3.65Å; Y123-L395 HydrophobicContact CE1-CD2 3.97Å; Y123-L395 HydrophobicContact CE1-CG 4.47Å; Y123-L395 HydrophobicContact CE2-CD1 3.65Å; Y123-L395 HydrophobicContact CE2-CD2 4.29Å; Y123-L395 HydrophobicContact CE2-CG 4.48Å; Y123-L395 HydrophobicContact CG-CD2 4.02Å; Y123-L395 WeakPolarHBondContact OH-CD1 3.14Å; F167-L395 HydrophobicContact CE1-CD2 4.49Å; L395-K397 PolarHBondContact O-N 3.06Å; L395-K398 WeakPolarHBondContact O-CB 3.31Å; L395-K398 PolarHBondContact O-N 3.48Å
396	H	64.9	Low	62	Low	106 Å²	106	89.6 Å²	89.6	49%	0.491	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-64.8	-13.3	180	-49.9	70	0	0	0	113.5	I95 E387 P394	I95-H396 VanDerWaalsContact C-NE2 3.35Å; I95-H396 VanDerWaalsContact CB-NE2 3.26Å; I95-H396 WeakPolarHBondContact CB-NE2 3.39Å; I95-H396 WeakPolarHBondContact CG2-CE1 3.37Å; I95-H396 WeakPolarHBondContact CG2-NE2 3.44Å; I95-H396 PolarHBondContact O-CD2 3.4Å; I95-H396 PolarHBondContact O-NE2 3.24Å; E387-H396 IonicContact OE1-CE1 2.66Å; P394-H396 PolarHBondContact O-N 3.06Å
397	K	62.5	Low	62	Low	140 Å²	140	91 Å²	91	61%	0.609	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-103.8	3.5	175.6	-64.1	-178.8	-177.6	172.2	0	112.6	P394 L395 K399 K400 R401	P394-K397 HydrophobicContact CG-CD 4.41Å; P394-K397 PolarHBondContact O-N 3.38Å; P394-K397 VanDerWaalsContact O-N 3.11Å; L395-K397 PolarHBondContact O-N 3.06Å; K397-K399 PolarHBondContact O-N 3.36Å; K397-K400 PolarHBondContact O-N 2.97Å; K397-R401 PolarHBondContact O-N 3.28Å
398	K	68.8	Low	62.1	Low	3 Å²	3	95.7 Å²	95.7	1%	0.013	47%	0.468	C	S	.	.	H	α-helix	trans	-59	-46.4	-173.2	-171.5	173.1	-175.7	-172	0	113	D162 E164 D165 P394 L395 K400 R401 L402	D162-K398 IonicContact OD1-NZ 3.5Å; D162-K398 PolarHBondContact OD1-NZ 3.01Å; D162-K398 WeakPolarHBondContact OD2-CE 2.96Å; D162-K398 IonicContact OD2-NZ 3.49Å; D162-K398 PolarHBondContact OD2-NZ 2.82Å; E164-K398 WeakPolarHBondContact OE2-CE 3.42Å; D165-K398 IonicContact OD2-NZ 3.86Å; D165-K398 PolarHBondContact OD2-NZ 3.11Å; P394-K398 PolarHBondContact O-N 3.36Å; L395-K398 WeakPolarHBondContact O-CB 3.31Å; L395-K398 PolarHBondContact O-N 3.48Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 3.13Å; K398-R401 WeakPolarHBondContact O-CA 3.21Å; K398-R401 WeakPolarHBondContact O-CB 3.41Å; K398-R401 PolarHBondContact O-N 3.32Å; K398-L402 HydrophobicContact CD-CD1 4.45Å; K398-L402 HydrophobicContact CG-CD1 3.87Å; K398-L402 HydrophobicContact CG-CG 4.09Å; K398-L402 PolarHBondContact O-N 2.91Å
399	K	66.7	Low	62.2	Low	144 Å²	144	93.7 Å²	93.7	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-53.4	-43.5	177.8	-169.6	166.9	-170.3	155.8	0	113.4	D91 K397 R401 A403	D91-K399 IonicContact OD1-NZ 2.93Å; D91-K399 IonicContact OD2-NZ 2.72Å; D91-K399 PolarHBondContact OD2-NZ 3.35Å; K397-K399 PolarHBondContact O-N 3.36Å; K399-R401 VanDerWaalsContact C-N 3.35Å; K399-A403 WeakPolarHBondContact O-CB 3.13Å; K399-A403 PolarHBondContact O-N 3.25Å
400	K	65.9	Low	62.2	Low	179 Å²	179	95.3 Å²	95.3	78%	0.778	47%	0.471	S	S	*	.	H	α-helix	trans	-68.9	-33.1	176.8	-69.8	-175.9	178.8	-179.6	0	112.3	K397 K398 K404	K397-K400 PolarHBondContact O-N 2.97Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 3.13Å; K400-K404 PolarHBondContact O-N 3.09Å
401	R	74.9	Confident	62.3	Low	45 Å²	45	93.5 Å²	93.5	17%	0.17	47%	0.469	C	S	.	.	H	α-helix	trans	-71.7	-48.8	178	-177.8	177.6	67.9	-128.9	11.9	111.5	E164 R393 K397 K398 K399 A403 K404 N405	E164-R401 IonicContact OE1-NE 3.72Å; E164-R401 IonicContact OE2-CZ 3.65Å; E164-R401 IonicContact OE2-NE 2.67Å; E164-R401 IonicContact OE2-NH2 3.77Å; E164-R401 PolarHBondContact OE2-NH2 3.36Å; R393-R401 VanDerWaalsContact C-NH1 3.31Å; R393-R401 VanDerWaalsContact CB-NH1 3.25Å; R393-R401 PolarHBondContact O-NH1 2.83Å; K397-R401 PolarHBondContact O-N 3.28Å; K398-R401 WeakPolarHBondContact O-CA 3.21Å; K398-R401 WeakPolarHBondContact O-CB 3.41Å; K398-R401 PolarHBondContact O-N 3.32Å; K399-R401 VanDerWaalsContact C-N 3.35Å; R401-A403 VanDerWaalsContact C-N 3.33Å; R401-A403 PolarHBondContact O-N 3.4Å; R401-K404 WeakPolarHBondContact O-CB 3.49Å; R401-K404 PolarHBondContact O-N 3.21Å; R401-K404 VanDerWaalsContact O-N 3.08Å; R401-N405 PolarHBondContact O-N 3.25Å
402	L	68.8	Low	62.2	Low	28 Å²	28	101 Å²	101	15%	0.147	50%	0.496	C	S	.	.	H	α-helix	trans	-60	-43.6	178.8	-69.1	175.6	0	0	0	111.5	E164 K398 K404 N405 K406	E164-L402 HydrophobicContact CG-CD2 3.91Å; E164-L402 WeakPolarHBondContact OE1-CD2 3.24Å; K398-L402 HydrophobicContact CD-CD1 4.45Å; K398-L402 HydrophobicContact CG-CD1 3.87Å; K398-L402 HydrophobicContact CG-CG 4.09Å; K398-L402 PolarHBondContact O-N 2.91Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.12Å; L402-N405 PolarHBondContact O-N 2.66Å; L402-K406 PolarHBondContact O-N 2.83Å
403	A	68.1	Low	62.5	Low	65 Å²	65	101.5 Å²	101.5	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-37	174.6	0	0	0	0	0	112.9	K399 R401	K399-A403 WeakPolarHBondContact O-CB 3.13Å; K399-A403 PolarHBondContact O-N 3.25Å; R401-A403 VanDerWaalsContact C-N 3.33Å; R401-A403 PolarHBondContact O-N 3.4Å
404	K	69.8	Low	62.1	Low	142 Å²	142	100 Å²	100	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-73.1	-35.3	177.2	-170.2	176.9	-179.2	178.1	0	112.3	K400 R401 L402 S407	K400-K404 PolarHBondContact O-N 3.09Å; R401-K404 WeakPolarHBondContact O-CB 3.49Å; R401-K404 PolarHBondContact O-N 3.21Å; R401-K404 VanDerWaalsContact O-N 3.08Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.12Å; K404-S407 PolarHBondContact O-N 3.09Å; K404-S407 PolarHBondContact O-OG 3.22Å
405	N	64.6	Low	61.7	Low	50 Å²	50	102 Å²	102	27%	0.267	52%	0.515	S	S	.	.	H	α-helix	trans	-72.9	-42.2	178.2	-93.9	23.1	0	0	0	112.5	R401 L402 S407 R408 D409	R401-N405 PolarHBondContact O-N 3.25Å; L402-N405 PolarHBondContact O-N 2.66Å; N405-S407 PolarHBondContact O-N 3.24Å; N405-R408 PolarHBondContact O-N 2.83Å; N405-D409 PolarHBondContact O-N 2.84Å; N405-D409 VanDerWaalsContact O-N 3.08Å
406	K	64.3	Low	61.5	Low	129 Å²	129	107.4 Å²	107.4	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-54.5	-29.5	172.6	-76.4	-177.1	179.9	175.8	0	112.6	E163 L402	E163-K406 IonicContact OE1-NZ 3.8Å; E163-K406 PolarHBondContact OE1-NZ 2.78Å; L402-K406 PolarHBondContact O-N 2.83Å
407	S	57.8	Low	61.2	Low	83 Å²	83	107.1 Å²	107.1	58%	0.58	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.7	174.9	76.2	0	0	0	0	115.2	K404 N405	K404-S407 PolarHBondContact O-N 3.09Å; K404-S407 PolarHBondContact O-OG 3.22Å; N405-S407 PolarHBondContact O-N 3.24Å
408	R	59	Low	61.2	Low	135 Å²	135	108.2 Å²	108.2	51%	0.509	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-29.7	-177.7	-86.4	177.3	68.5	-167.1	3.2	113.8	N405 N410 S411	N405-R408 PolarHBondContact O-N 2.83Å; R408-N410 PolarHBondContact O-N 2.87Å; R408-S411 PolarHBondContact O-N 2.62Å; R408-S411 VanDerWaalsContact O-N 3.12Å
409	D	53.4	Low	61.2	Low	122 Å²	122	112.1 Å²	112.1	65%	0.652	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-68.5	-17.3	179.5	-77.8	-26.3	0	0	0	113.2	N405 S411	N405-D409 PolarHBondContact O-N 2.84Å; N405-D409 VanDerWaalsContact O-N 3.08Å; D409-S411 PolarHBondContact O-N 2.9Å
410	N	54.1	Low	61.9	Low	153 Å²	153	109.7 Å²	109.7	82%	0.818	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-66.3	2.3	168.3	-76.7	1.4	0	0	0	114.2	R408	R408-N410 PolarHBondContact O-N 2.87Å
411	S	55	Low	62.8	Low	94 Å²	94	108.6 Å²	108.6	66%	0.657	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-134.6	12.5	-172.6	104.5	0	0	0	0	117	R408 D409	R408-S411 PolarHBondContact O-N 2.62Å; R408-S411 VanDerWaalsContact O-N 3.12Å; D409-S411 PolarHBondContact O-N 2.9Å
412	R	54.3	Low	63.3	Low	205 Å²	205	108 Å²	108	77%	0.774	56%	0.564	S	S	*	*			trans	-136.1	116.1	179.7	-82.7	-174.7	169	-176.8	-7.9	113.9
413	D	55.7	Low	64.3	Low	124 Å²	124	111 Å²	111	66%	0.663	58%	0.577	S	S	*	*			trans	-95.2	156.4	163.7	-163.5	4.4	0	0	0	109	Q416	D413-Q416 PolarHBondContact OD1-NE2 2.84Å
414	S	52.9	Low	65.3	Low	109 Å²	109	112.9 Å²	112.9	76%	0.762	58%	0.579	S	S	*	*			trans	103.4	76.6	171.7	-32.7	0	0	0	0	118.6
415	S	51.2	Low	66.3	Low	75 Å²	75	107.3 Å²	107.3	52%	0.524	56%	0.557	S	S	.	*				-175.6	67	129.5	59.3	0	0	0	0	108.8	S417 N419	S415-S417 PolarHBondContact O-N 3.13Å; S415-N419 VanDerWaalsContact O-CB 3.27Å; S415-N419 WeakPolarHBondContact O-CB 3.12Å
416	Q	58.8	Low	67.6	Low	124 Å²	124	106.4 Å²	106.4	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-49.5	-157.4	-73.8	168	-7.7	0	0	114.5	D413 N419 D420	D413-Q416 PolarHBondContact OD1-NE2 2.84Å; Q416-N419 PolarHBondContact O-N 3.35Å; Q416-D420 VanDerWaalsContact O-CB 3.29Å; Q416-D420 WeakPolarHBondContact O-CB 3.36Å; Q416-D420 PolarHBondContact O-N 2.74Å
417	S	59.4	Low	68.9	Low	100 Å²	100	103.6 Å²	103.6	70%	0.699	54%	0.543	S	S	*	.	H	α-helix	trans	-71.2	-40.1	-166.9	62.1	0	0	0	0	117.1	S415 Y421	S415-S417 PolarHBondContact O-N 3.13Å; S417-Y421 PolarHBondContact O-N 2.55Å
418	E	61.1	Low	70.5	Confident	163 Å²	163	101.6 Å²	101.6	76%	0.762	53%	0.531	S	S	*	.	H	α-helix	trans	-76.6	-30.8	177.5	-74.3	-172.7	155.4	0	0	111.7	L422	E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 PolarHBondContact O-N 3.46Å; E418-L422 VanDerWaalsContact O-N 3.17Å
419	N	69.9	Low	72.1	Confident	86 Å²	86	95.4 Å²	95.4	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-73.7	-35.1	177.1	-136.6	-9.1	0	0	0	110.6	S415 Q416 Q423	S415-N419 VanDerWaalsContact O-CB 3.27Å; S415-N419 WeakPolarHBondContact O-CB 3.12Å; Q416-N419 PolarHBondContact O-N 3.35Å; N419-Q423 WeakPolarHBondContact O-CB 3.4Å; N419-Q423 PolarHBondContact O-N 2.84Å
420	D	80.6	Confident	73.9	Confident	93 Å²	93	94 Å²	94	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-47.4	174.7	-68.6	-12	0	0	0	111.2	Q416 L422 Q423 D424	Q416-D420 VanDerWaalsContact O-CB 3.29Å; Q416-D420 WeakPolarHBondContact O-CB 3.36Å; Q416-D420 PolarHBondContact O-N 2.74Å; D420-L422 PolarHBondContact O-N 3.25Å; D420-Q423 PolarHBondContact O-N 3.17Å; D420-D424 WeakPolarHBondContact O-CB 3.46Å; D420-D424 VanDerWaalsContact O-CG 3.25Å; D420-D424 PolarHBondContact O-N 3.21Å
421	Y	84.4	Confident	75.7	Confident	156 Å²	156	94.2 Å²	94.2	61%	0.612	49%	0.494	S	S	*	.	H	α-helix	trans	-62	-44.3	176.6	175.7	-101.3	0	0	0	112.5	S417 Q423 D424 C425	S417-Y421 PolarHBondContact O-N 2.55Å; Y421-Q423 VanDerWaalsContact C-N 3.3Å; Y421-Q423 PolarHBondContact O-N 3.49Å; Y421-D424 PolarHBondContact O-N 3.05Å; Y421-C425 PolarHBondContact O-N 3.17Å; Y421-C425 PolarHBondContact O-SG 2.84Å
422	L	87	Confident	77.5	Confident	32 Å²	32	94.8 Å²	94.8	17%	0.168	49%	0.49	C	S	.	.	H	α-helix	trans	-62.3	-41.6	177.2	178.2	61.8	0	0	0	110.8	Q127 I130 E418 D420 C425 L426	Q127-L422 HydrophobicContact CG-CD1 4.15Å; Q127-L422 HydrophobicContact CG-CD2 4.19Å; I130-L422 HydrophobicContact CB-CD1 4.43Å; I130-L422 HydrophobicContact CD1-CD1 3.89Å; I130-L422 HydrophobicContact CG2-CD1 4.17Å; E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 PolarHBondContact O-N 3.46Å; E418-L422 VanDerWaalsContact O-N 3.17Å; D420-L422 PolarHBondContact O-N 3.25Å; L422-C425 PolarHBondContact O-N 3.22Å; L422-L426 HydrophobicContact CD1-CG 4.45Å; L422-L426 HydrophobicContact CG-CD1 4.17Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.38Å; L422-L426 PolarHBondContact O-N 3.2Å
423	Q	88.4	Confident	79.4	Confident	90 Å²	90	85.7 Å²	85.7	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-65.6	-44.1	178	-170.5	60.2	52	0	0	111.7	N419 D420 Y421 C425 L426 D427	N419-Q423 WeakPolarHBondContact O-CB 3.4Å; N419-Q423 PolarHBondContact O-N 2.84Å; D420-Q423 PolarHBondContact O-N 3.17Å; Y421-Q423 VanDerWaalsContact C-N 3.3Å; Y421-Q423 PolarHBondContact O-N 3.49Å; Q423-C425 VanDerWaalsContact C-N 3.27Å; Q423-C425 PolarHBondContact O-N 3.4Å; Q423-L426 WeakPolarHBondContact O-CB 3.4Å; Q423-L426 PolarHBondContact O-N 3.09Å; Q423-L426 VanDerWaalsContact O-N 3.12Å; Q423-D427 PolarHBondContact NE2-OD1 2.73Å; Q423-D427 WeakPolarHBondContact O-CB 3.37Å; Q423-D427 VanDerWaalsContact O-CG 3.29Å; Q423-D427 PolarHBondContact O-N 3.14Å
424	D	89.4	Confident	81.1	Confident	106 Å²	106	84.1 Å²	84.1	57%	0.567	45%	0.45	S	S	*	.	H	α-helix	trans	-57.3	-42.3	174.1	-71.7	-19.8	0	0	0	111.2	D420 Y421 D427 A428	D420-D424 WeakPolarHBondContact O-CB 3.46Å; D420-D424 VanDerWaalsContact O-CG 3.25Å; D420-D424 PolarHBondContact O-N 3.21Å; Y421-D424 PolarHBondContact O-N 3.05Å; D424-D427 PolarHBondContact O-N 3.22Å; D424-A428 WeakPolarHBondContact O-CB 3.31Å; D424-A428 PolarHBondContact O-N 3.12Å
425	C	91.3	Very high	83.1	Confident	25 Å²	25	82.7 Å²	82.7	17%	0.169	43%	0.434	C	S	.	.	H	α-helix	trans	-66.4	-40.4	176.3	-66.2	0	0	0	0	112.2	I130 Y421 L422 Q423 D427 A428 I429	I130-C425 HydrophobicContact CD1-CB 3.64Å; I130-C425 HydrophobicContact CG1-CB 4.1Å; I130-C425 HydrophobicContact CG2-CB 4.09Å; Y421-C425 PolarHBondContact O-N 3.17Å; Y421-C425 PolarHBondContact O-SG 2.84Å; L422-C425 PolarHBondContact O-N 3.22Å; Q423-C425 VanDerWaalsContact C-N 3.27Å; Q423-C425 PolarHBondContact O-N 3.4Å; C425-D427 VanDerWaalsContact C-N 3.33Å; C425-A428 PolarHBondContact O-N 3.17Å; C425-I429 WeakPolarHBondContact O-CG1 3.41Å; C425-I429 PolarHBondContact O-N 3.3Å
426	L	91.3	Very high	85.2	Confident	30 Å²	30	80.3 Å²	80.3	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-65	-39.3	176.4	-72.5	170.7	0	0	0	111.5	K126 I130 L422 Q423 I429 Q430	K126-L426 HydrophobicContact CB-CD2 3.5Å; K126-L426 VanDerWaalsContact CB-CD2 3.5Å; K126-L426 HydrophobicContact CD-CD2 4.13Å; K126-L426 HydrophobicContact CG-CD2 4.46Å; I130-L426 HydrophobicContact CD1-CD2 3.72Å; I130-L426 HydrophobicContact CD1-CG 3.94Å; L422-L426 HydrophobicContact CD1-CG 4.45Å; L422-L426 HydrophobicContact CG-CD1 4.17Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.38Å; L422-L426 PolarHBondContact O-N 3.2Å; Q423-L426 WeakPolarHBondContact O-CB 3.4Å; Q423-L426 PolarHBondContact O-N 3.09Å; Q423-L426 VanDerWaalsContact O-N 3.12Å; L426-I429 PolarHBondContact O-N 3.28Å; L426-Q430 WeakPolarHBondContact O-CB 3.32Å; L426-Q430 PolarHBondContact O-N 2.89Å
427	D	90.9	Very high	87	Confident	71 Å²	71	75.9 Å²	75.9	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-68.5	-39.1	177.2	-71.3	-8.2	0	0	0	111.1	Q423 D424 C425 Q430 Q431	Q423-D427 PolarHBondContact NE2-OD1 2.73Å; Q423-D427 WeakPolarHBondContact O-CB 3.37Å; Q423-D427 VanDerWaalsContact O-CG 3.29Å; Q423-D427 PolarHBondContact O-N 3.14Å; D424-D427 PolarHBondContact O-N 3.22Å; C425-D427 VanDerWaalsContact C-N 3.33Å; D427-Q430 WeakPolarHBondContact O-CB 3.4Å; D427-Q430 PolarHBondContact O-N 3.47Å; D427-Q431 WeakPolarHBondContact O-CG 3.33Å; D427-Q431 PolarHBondContact O-N 3.23Å
428	A	92.3	Very high	88.7	Confident	40 Å²	40	71.4 Å²	71.4	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-47.3	172.2	0	0	0	0	0	111.6	D424 C425 Q430 Q431 D432	D424-A428 WeakPolarHBondContact O-CB 3.31Å; D424-A428 PolarHBondContact O-N 3.12Å; C425-A428 PolarHBondContact O-N 3.17Å; A428-Q430 VanDerWaalsContact C-N 3.25Å; A428-Q430 PolarHBondContact O-N 2.81Å; A428-Q431 PolarHBondContact O-N 3.19Å; A428-D432 WeakPolarHBondContact O-CB 3.43Å; A428-D432 PolarHBondContact O-N 3.44Å
429	I	92.6	Very high	90.2	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-43.3	173.4	-67.5	170.6	0	0	0	110.5	K126 I130 V135 F139 Q161 M166 C425 L426 Q431 F433	K126-I429 HydrophobicContact CB-CD1 4.27Å; K126-I429 HydrophobicContact CD-CG2 4.04Å; K126-I429 HydrophobicContact CG-CD1 4.5Å; K126-I429 HydrophobicContact CG-CG2 4.25Å; I130-I429 HydrophobicContact CD1-CD1 3.75Å; I130-I429 HydrophobicContact CG1-CD1 3.76Å; V135-I429 HydrophobicContact CG1-CD1 4Å; V135-I429 HydrophobicContact CG1-CG1 3.77Å; V135-I429 HydrophobicContact CG2-CD1 3.79Å; V135-I429 HydrophobicContact CG2-CG1 4.43Å; F139-I429 HydrophobicContact CE1-CG2 4.4Å; F139-I429 HydrophobicContact CZ-CG2 4.15Å; Q161-I429 PolarHBondContact OE1-O 3.49Å; M166-I429 HydrophobicContact CG-CG2 4.26Å; M166-I429 HydrophobicContact SD-CG2 3.79Å; C425-I429 WeakPolarHBondContact O-CG1 3.41Å; C425-I429 PolarHBondContact O-N 3.3Å; L426-I429 PolarHBondContact O-N 3.28Å; I429-Q431 VanDerWaalsContact C-N 3.28Å; I429-Q431 PolarHBondContact O-N 3.48Å; I429-F433 WeakPolarHBondContact O-CB 3.33Å; I429-F433 PolarHBondContact O-N 3.34Å
430	Q	91.9	Very high	91.1	Very high	93 Å²	93	66.5 Å²	66.5	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-37.5	-179.2	-173.9	62	36.2	0	0	112.3	Q161 L426 D427 A428	Q161-Q430 PolarHBondContact NE2-O 3.49Å; L426-Q430 WeakPolarHBondContact O-CB 3.32Å; L426-Q430 PolarHBondContact O-N 2.89Å; D427-Q430 WeakPolarHBondContact O-CB 3.4Å; D427-Q430 PolarHBondContact O-N 3.47Å; A428-Q430 VanDerWaalsContact C-N 3.25Å; A428-Q430 PolarHBondContact O-N 2.81Å
431	Q	91.8	Very high	91.5	Very high	158 Å²	158	65.5 Å²	65.5	74%	0.738	33%	0.329	S	S	*	.	H	α-helix	trans	-78.7	-42.7	179.9	-70	175.6	19.4	0	0	112.8	D427 A428 I429	D427-Q431 WeakPolarHBondContact O-CG 3.33Å; D427-Q431 PolarHBondContact O-N 3.23Å; A428-Q431 PolarHBondContact O-N 3.19Å; I429-Q431 VanDerWaalsContact C-N 3.28Å; I429-Q431 PolarHBondContact O-N 3.48Å
432	D	93	Very high	91.8	Very high	106 Å²	106	61.2 Å²	61.2	57%	0.567	31%	0.313	S	S	*	.	H	α-helix	trans	-84.5	-21	-170.7	-68.1	-15.7	0	0	0	113.2	F139 A428 V434	F139-D432 HydrophobicContact CE2-CB 3.72Å; F139-D432 HydrophobicContact CZ-CB 4.41Å; A428-D432 WeakPolarHBondContact O-CB 3.43Å; A428-D432 PolarHBondContact O-N 3.44Å; D432-V434 PolarHBondContact O-N 3.37Å
433	F	93.8	Very high	91.8	Very high	14 Å²	14	66.3 Å²	66.3	6%	0.061	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.8	122.7	-178.4	-176.1	-75.1	0	0	0	111.7	F139 L142 F160 Q161 M166 I429	F139-F433 HydrophobicContact CE1-CB 4.41Å; F139-F433 AromaticContact CE1-CD2 3.87Å; F139-F433 HydrophobicContact CE1-CD2 3.87Å; F139-F433 HydrophobicContact CZ-CB 4.1Å; F139-F433 HydrophobicContact CZ-CD2 4.4Å; L142-F433 HydrophobicContact CD1-CD2 4.08Å; L142-F433 HydrophobicContact CD1-CE2 3.44Å; L142-F433 VanDerWaalsContact CD1-CE2 3.44Å; L142-F433 HydrophobicContact CD1-CZ 3.87Å; F160-F433 WeakPolarHBondContact O-CZ 3.42Å; Q161-F433 HydrophobicContact CB-CD1 4.25Å; Q161-F433 HydrophobicContact CB-CD2 4.45Å; Q161-F433 HydrophobicContact CB-CE1 4.34Å; Q161-F433 HydrophobicContact CB-CG 4.33Å; Q161-F433 HydrophobicContact CB-CZ 4.45Å; Q161-F433 HydrophobicContact CG-CB 4.43Å; Q161-F433 HydrophobicContact CG-CD1 3.87Å; Q161-F433 HydrophobicContact CG-CE1 4.33Å; Q161-F433 HydrophobicContact CG-CG 4.08Å; Q161-F433 VanDerWaalsContact NE2-CB 3.33Å; M166-F433 HydrophobicContact CB-CD2 4.42Å; M166-F433 HydrophobicContact CB-CE2 3.8Å; M166-F433 HydrophobicContact CG-CD2 3.86Å; M166-F433 HydrophobicContact CG-CE2 3.75Å; M166-F433 HydrophobicContact SD-CD2 3.87Å; M166-F433 HydrophobicContact SD-CE2 4.05Å; I429-F433 WeakPolarHBondContact O-CB 3.33Å; I429-F433 PolarHBondContact O-N 3.34Å
434	V	91.7	Very high	91.6	Very high	90 Å²	90	65.6 Å²	65.6	55%	0.545	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-88.5	120.3	177.7	-177.3	0	0	0	0	110.6	S159 D432	S159-V434 PolarHBondContact OG-O 3.08Å; D432-V434 PolarHBondContact O-N 3.37Å
435	I	94.7	Very high	91.1	Very high	80 Å²	80	67 Å²	67	41%	0.41	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-70.8	127.6	170.5	-63.3	176.9	0	0	0	108.7	D87 S159	D87-I435 HydrophobicContact CB-CD1 4.49Å; S159-I435 WeakPolarHBondContact O-CA 3.21Å; S159-I435 WeakPolarHBondContact O-CG2 3.24Å
436	F	96	Very high	90.3	Very high	24 Å²	24	72.3 Å²	72.3	11%	0.105	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	177.7	-179.9	-106.7	0	0	0	111.1	Q146 L156 Y158 S159 R438 L441	Q146-F436 HydrophobicContact CB-CD2 4.11Å; Q146-F436 HydrophobicContact CB-CE2 4.09Å; Q146-F436 HydrophobicContact CG-CB 3.99Å; Q146-F436 HydrophobicContact CG-CD1 4.22Å; Q146-F436 HydrophobicContact CG-CD2 3.67Å; Q146-F436 HydrophobicContact CG-CE2 4.12Å; Q146-F436 HydrophobicContact CG-CG 3.71Å; L156-F436 HydrophobicContact CD2-CD1 3.7Å; L156-F436 HydrophobicContact CD2-CE1 4.1Å; L156-F436 HydrophobicContact CD2-CG 4.38Å; L156-F436 HydrophobicContact CG-CD1 3.92Å; L156-F436 HydrophobicContact CG-CE1 4.14Å; Y158-F436 CarbonylContact C-O 3.59Å; Y158-F436 VanDerWaalsContact CA-O 3.25Å; Y158-F436 WeakPolarHBondContact CA-O 3.35Å; S159-F436 PolarHBondContact N-O 2.73Å; S159-F436 PolarHBondContact O-N 3.14Å; S159-F436 VanDerWaalsContact O-N 3.1Å; S159-F436 WeakPolarHBondContact OG-CB 3.37Å; S159-F436 PolarHBondContact OG-N 3.16Å; F436-R438 HydrophobicContact CE1-CB 3.8Å; F436-R438 HydrophobicContact CZ-CB 4Å; F436-R438 HydrophobicContact CZ-CG 4.45Å; F436-L441 HydrophobicContact CE2-CD2 4.32Å; F436-L441 HydrophobicContact CZ-CD2 4.49Å
437	N	95.7	Very high	89	Confident	31 Å²	31	77 Å²	77	17%	0.166	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	103.1	174.6	-179	-16.4	0	0	0	110.1	V88 Y158 E439 K440 L441	V88-N437 WeakPolarHBondContact CG2-ND2 3.35Å; Y158-N437 HydrophobicContact CD1-CB 4.34Å; Y158-N437 WeakPolarHBondContact CE1-OD1 3.43Å; N437-E439 VanDerWaalsContact C-N 3.32Å; N437-E439 PolarHBondContact O-N 3.05Å; N437-E439 WeakPolarHBondContact OD1-CB 3.31Å; N437-E439 PolarHBondContact OD1-N 3.32Å; N437-K440 HydrophobicContact CB-CB 4.07Å; N437-K440 PolarHBondContact O-N 3.12Å; N437-K440 PolarHBondContact OD1-N 3.14Å; N437-K440 VanDerWaalsContact OD1-N 3.16Å; N437-L441 PolarHBondContact O-N 3.17Å; N437-L441 VanDerWaalsContact O-N 3.12Å
438	R	95	Very high	87.1	Confident	6 Å²	6	79 Å²	79	2%	0.023	41%	0.407	C	S	.	.	H	α-helix	trans	-65.7	-32.1	-179.6	-168	175.4	-64	-83.7	-4.3	112.9	L145 I148 E149 L156 W157 F436 K440 L441 K442	L145-R438 PolarHBondContact O-NH2 2.76Å; I148-R438 PolarHBondContact O-NH2 3.41Å; I148-R438 VanDerWaalsContact O-NH2 3.08Å; E149-R438 IonicContact OE2-CZ 3.48Å; E149-R438 IonicContact OE2-NE 3.01Å; E149-R438 IonicContact OE2-NH1 3.36Å; E149-R438 PolarHBondContact OE2-NH1 2.82Å; L156-R438 VanDerWaalsContact O-CZ 3.28Å; L156-R438 PolarHBondContact O-NE 2.81Å; L156-R438 PolarHBondContact O-NH2 3.44Å; W157-R438 HydrophobicContact CE3-CB 4.21Å; W157-R438 WeakPolarHBondContact O-CB 3.42Å; W157-R438 PolarHBondContact O-N 3.17Å; F436-R438 HydrophobicContact CE1-CB 3.8Å; F436-R438 HydrophobicContact CZ-CB 4Å; F436-R438 HydrophobicContact CZ-CG 4.45Å; R438-K440 VanDerWaalsContact C-N 3.31Å; R438-K440 PolarHBondContact O-N 3.21Å; R438-L441 PolarHBondContact O-N 3.21Å; R438-K442 HydrophobicContact CG-CD 4.41Å; R438-K442 HydrophobicContact CG-CG 4.42Å; R438-K442 WeakPolarHBondContact O-CG 3.05Å; R438-K442 PolarHBondContact O-N 3.22Å
439	E	91.8	Very high	85.1	Confident	35 Å²	35	82.5 Å²	82.5	16%	0.164	43%	0.429	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-63.1	-171	149.4	0	0	110.9	K112 W157 Y158 N437 K442 R443	K112-E439 IonicContact NZ-OE2 3.24Å; K112-E439 PolarHBondContact NZ-OE2 3.44Å; W157-E439 HydrophobicContact CE3-CG 4.22Å; W157-E439 HydrophobicContact CZ3-CG 4.29Å; Y158-E439 HydrophobicContact CE1-CG 4.14Å; Y158-E439 WeakPolarHBondContact OH-CG 3.48Å; Y158-E439 PolarHBondContact OH-OE1 2.89Å; Y158-E439 PolarHBondContact OH-OE2 2.77Å; N437-E439 VanDerWaalsContact C-N 3.32Å; N437-E439 PolarHBondContact O-N 3.05Å; N437-E439 WeakPolarHBondContact OD1-CB 3.31Å; N437-E439 PolarHBondContact OD1-N 3.32Å; E439-K442 PolarHBondContact O-N 3.06Å; E439-R443 WeakPolarHBondContact O-CG 3.39Å; E439-R443 PolarHBondContact O-N 3.37Å
440	K	90	Very high	82.8	Confident	112 Å²	112	91 Å²	91	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-39.3	176.5	-169.9	177.1	-177.8	176.9	0	111.9	D87 N437 R438 S444	D87-K440 IonicContact OD1-NZ 3.36Å; N437-K440 HydrophobicContact CB-CB 4.07Å; N437-K440 PolarHBondContact O-N 3.12Å; N437-K440 PolarHBondContact OD1-N 3.14Å; N437-K440 VanDerWaalsContact OD1-N 3.16Å; R438-K440 VanDerWaalsContact C-N 3.31Å; R438-K440 PolarHBondContact O-N 3.21Å; K440-S444 PolarHBondContact O-N 3.48Å; K440-S444 VanDerWaalsContact O-N 3.14Å; K440-S444 PolarHBondContact O-OG 3.05Å
441	L	89.4	Confident	80.6	Confident	71 Å²	71	92.3 Å²	92.3	37%	0.372	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-48.9	175.5	-174.2	66.4	0	0	0	111.3	F436 N437 R438 S444 Q445	F436-L441 HydrophobicContact CE2-CD2 4.32Å; F436-L441 HydrophobicContact CZ-CD2 4.49Å; N437-L441 PolarHBondContact O-N 3.17Å; N437-L441 VanDerWaalsContact O-N 3.12Å; R438-L441 PolarHBondContact O-N 3.21Å; L441-S444 WeakPolarHBondContact O-CB 3.46Å; L441-S444 PolarHBondContact O-N 3.14Å; L441-Q445 WeakPolarHBondContact O-CG 3.5Å; L441-Q445 PolarHBondContact O-N 2.94Å
442	K	90.4	Very high	78.4	Confident	66 Å²	66	92.5 Å²	92.5	29%	0.287	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-44.8	179.5	-71.8	-174.4	173.3	-170.8	0	112.7	E149 R438 E439 S444 Q445 D446	E149-K442 VanDerWaalsContact OE1-CE 3.28Å; E149-K442 WeakPolarHBondContact OE1-CE 3.46Å; E149-K442 IonicContact OE1-NZ 3.08Å; E149-K442 PolarHBondContact OE1-NZ 3.35Å; E149-K442 WeakPolarHBondContact OE2-CE 3.35Å; E149-K442 IonicContact OE2-NZ 2.97Å; R438-K442 HydrophobicContact CG-CD 4.41Å; R438-K442 HydrophobicContact CG-CG 4.42Å; R438-K442 WeakPolarHBondContact O-CG 3.05Å; R438-K442 PolarHBondContact O-N 3.22Å; E439-K442 PolarHBondContact O-N 3.06Å; K442-S444 PolarHBondContact O-N 3.46Å; K442-Q445 PolarHBondContact O-N 3.06Å; K442-Q445 VanDerWaalsContact O-N 3.07Å; K442-D446 PolarHBondContact O-N 3.32Å; K442-D446 VanDerWaalsContact O-N 3.08Å
443	R	87.1	Confident	76	Confident	139 Å²	139	93 Å²	93	53%	0.525	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-36	175.6	-72.9	177.8	-172.5	-179.1	3.8	112.6	D84 E439 Q445	D84-R443 IonicContact OD1-CZ 3.94Å; D84-R443 IonicContact OD1-NH1 2.93Å; D84-R443 PolarHBondContact OD1-NH1 2.64Å; D84-R443 IonicContact OD1-NH2 3.99Å; E439-R443 WeakPolarHBondContact O-CG 3.39Å; E439-R443 PolarHBondContact O-N 3.37Å; R443-Q445 VanDerWaalsContact C-N 3.34Å
444	S	83.3	Confident	73.7	Confident	75 Å²	75	96.5 Å²	96.5	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-70	-30.9	177.7	-54.8	0	0	0	0	112.8	K440 L441 K442	K440-S444 PolarHBondContact O-N 3.48Å; K440-S444 VanDerWaalsContact O-N 3.14Å; K440-S444 PolarHBondContact O-OG 3.05Å; L441-S444 WeakPolarHBondContact O-CB 3.46Å; L441-S444 PolarHBondContact O-N 3.14Å; K442-S444 PolarHBondContact O-N 3.46Å
445	Q	79.8	Confident	71.5	Confident	137 Å²	137	98.3 Å²	98.3	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-79.3	-29.5	178.3	-69.6	172.5	-9.1	0	0	112.8	L441 K442 R443 L447	L441-Q445 WeakPolarHBondContact O-CG 3.5Å; L441-Q445 PolarHBondContact O-N 2.94Å; K442-Q445 PolarHBondContact O-N 3.06Å; K442-Q445 VanDerWaalsContact O-N 3.07Å; R443-Q445 VanDerWaalsContact C-N 3.34Å; Q445-L447 VanDerWaalsContact C-N 3.31Å; Q445-L447 PolarHBondContact O-N 3.49Å
446	D	73.9	Confident	69.1	Low	135 Å²	135	102.9 Å²	102.9	72%	0.722	56%	0.564	S	S	*	*	S	Bend	trans	-79.7	-8.4	179.4	-70.6	-31.2	0	0	0	113.9	K442 P448	K442-D446 PolarHBondContact O-N 3.32Å; K442-D446 VanDerWaalsContact O-N 3.08Å; D446-P448 WeakPolarHBondContact O-CD 3.42Å
447	L	64	Low	66.4	Low	128 Å²	128	107.5 Å²	107.5	67%	0.67	60%	0.596	S	S	*	*	S	Bend	trans	-75.8	118.6	174.2	-84.5	150.8	0	0	0	109.6	Q445 S449	Q445-L447 VanDerWaalsContact C-N 3.31Å; Q445-L447 PolarHBondContact O-N 3.49Å; L447-S449 PolarHBondContact O-N 2.97Å
448	P	52.2	Low	63.8	Low	114 Å²	114	117.9 Å²	117.9	74%	0.74	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-61.5	130.3	176.5	23.3	-30	0	0	0	109.5	D446 E450	D446-P448 WeakPolarHBondContact O-CD 3.42Å; P448-E450 PolarHBondContact O-N 3.2Å; P448-E450 VanDerWaalsContact O-N 3.09Å
449	S	50.1	Low	61.1	Low	114 Å²	114	125.5 Å²	125.5	80%	0.797	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-50.1	117.5	169.7	51.8	0	0	0	0	108.9	L447	L447-S449 PolarHBondContact O-N 2.97Å
450	E	44	Very low	58.7	Low	182 Å²	182	128.7 Å²	128.7	85%	0.85	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-53.5	134.6	175.4	-79.8	-155.6	150.2	0	0	109.4	P448 L452	P448-E450 PolarHBondContact O-N 3.2Å; P448-E450 VanDerWaalsContact O-N 3.09Å; E450-L452 PolarHBondContact O-N 3.38Å
451	P	44.6	Very low	56.2	Low	122 Å²	122	128.2 Å²	128.2	79%	0.792	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.1	171.6	-8.7	20.3	0	0	0	108.2
452	L	45.8	Very low	53.6	Low	161 Å²	161	133.8 Å²	133.8	84%	0.843	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-47.1	132	170.5	-74.5	161.8	0	0	0	109.3	E450 A454	E450-L452 PolarHBondContact O-N 3.38Å; L452-A454 PolarHBondContact O-N 3.22Å
453	P	42.7	Very low	51.2	Low	118 Å²	118	135.7 Å²	135.7	77%	0.766	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.7	131.8	178.5	22.6	-30.2	0	0	0	109.3
454	A	46.7	Very low	48.8	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-55.5	138.4	176.6	0	0	0	0	0	109.8	L452 E456	L452-A454 PolarHBondContact O-N 3.22Å; A454-E456 PolarHBondContact O-N 3.44Å
455	P	44.1	Very low	46.5	Very low	128 Å²	128	140.6 Å²	140.6	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.5	178	24.5	-31.1	0	0	0	109.9
456	E	45.2	Very low	44.2	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-61.5	144.9	178	-68.6	-156	153.6	0	0	111.8	A454 R458	A454-E456 PolarHBondContact O-N 3.44Å; E456-R458 PolarHBondContact O-N 3.11Å
457	P	39.1	Very low	42.3	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.9	177.7	28	-31.3	0	0	0	109.5	D459	P457-D459 PolarHBondContact O-N 3.34Å
458	R	41.1	Very low	41	Very low	250 Å²	250	143.8 Å²	143.8	94%	0.943	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.6	119.7	172.3	-70.9	-177.2	177.7	-175.2	-1.2	109.2	E456	E456-R458 PolarHBondContact O-N 3.11Å
459	D	38.5	Very low	40.3	Very low	165 Å²	165	145.5 Å²	145.5	88%	0.882	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-58.3	143.3	171.2	-89.3	-39.8	0	0	0	112.1	P457	P457-D459 PolarHBondContact O-N 3.34Å
460	A	40.7	Very low	39.6	Very low	102 Å²	102	145.1 Å²	145.1	84%	0.843	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.2	133.3	178.8	0	0	0	0	0	112.1
461	A	37.5	Very low	39.2	Very low	103 Å²	103	141.1 Å²	141.1	85%	0.851	80%	0.802	S	S	*	*			trans	-127.8	126	158.9	0	0	0	0	0	108.9
462	E	34.5	Very low	38.7	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	80%	0.801	S	S	*	*			trans	-71	170.9	-179.4	-87.1	-121.6	160.2	0	0	113.4
463	P	40.6	Very low	38.7	Very low	106 Å²	106	140.3 Å²	140.3	69%	0.688	80%	0.798	S	S	*	*			trans	-94.9	162	-138.7	37.6	-35.7	0	0	0	114.5
464	V	35.9	Very low	38.3	Very low	148 Å²	148	141.8 Å²	141.8	90%	0.897	80%	0.796	S	S	*	*			trans	-135.4	118.4	159.9	-170.9	0	0	0	0	108.6
465	E	34.5	Very low	37.7	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	80%	0.801	S	S	*	*			trans	-52.4	157.9	165.3	-57	165.6	163.5	0	0	110.4
466	D	33.3	Very low	37.2	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	79%	0.794	S	S	*	*			cis	-170.4	177.9	8.5	-126.8	-28.4	0	0	0	107.4
467	E	33.5	Very low	37.8	Very low	163 Å²	163	137.7 Å²	137.7	76%	0.762	79%	0.791	S	S	*	*			trans	97	94.6	161.3	-58	-153.8	159.9	0	0	119.3
468	E	36.7	Very low	37.6	Very low	156 Å²	156	140 Å²	140	73%	0.729	80%	0.795	S	S	*	*				51.1	137	115.4	-72.7	-171.6	170.2	0	0	118.2
469	H	37.6	Very low	37.5	Very low	150 Å²	150	133.3 Å²	133.3	69%	0.694	79%	0.786	S	S	*	*			cis	-174.8	148.1	18.2	-110	-47.8	0	0	0	101.5
470	S	34.2	Very low	38.2	Very low	107 Å²	107	131 Å²	131	75%	0.748	78%	0.78	S	S	*	*			cis	170.8	155	44	41.7	0	0	0	0	108.2
471	A	37.2	Very low	38.1	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	78%	0.776	S	S	*	*			trans	75.2	87.8	147.4	0	0	0	0	0	120.9
472	L	33	Very low	38.2	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	78%	0.778	S	S	*	*			trans	-42.2	173.9	131.3	-69.4	171.4	0	0	0	113.5	M474	L472-M474 HydrophobicContact CD2-CG 4.07Å
473	P	45.7	Very low	38.2	Very low	118 Å²	118	126 Å²	126	77%	0.766	77%	0.771	S	S	*	*			cis	-132.8	151.1	18.5	20.7	5.9	0	0	0	114.8
474	M	35.4	Very low	38.2	Very low	150 Å²	150	127.4 Å²	127.4	74%	0.739	78%	0.782	S	S	*	*				70.5	129.7	72.1	-77.4	-73.5	-81.7	0	0	116.9	L472	L472-M474 HydrophobicContact CD2-CG 4.07Å
475	C	33.4	Very low	38.6	Very low	121 Å²	121	127.8 Å²	127.8	82%	0.818	82%	0.816	S	S	*	*			trans	71.4	134.9	163.5	-63.2	0	0	0	0	116.2
476	G	34	Very low	38.8	Very low	65 Å²	65	125.7 Å²	125.7	67%	0.67	82%	0.817	S	S	*	*			cis	155.3	165.4	19.2	0	0	0	0	0	107.2
477	P	56.8	Low	39.1	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	82%	0.819	S	S	*	*			trans	-90.2	171.7	-148.3	36.4	-35.8	0	0	0	113.8
478	I	36.3	Very low	39.4	Very low	168 Å²	168	122.4 Å²	122.4	86%	0.862	82%	0.822	S	S	*	*			trans	170.2	129.5	135.4	-84.5	151	0	0	0	110.2
479	C	37.3	Very low	39.6	Very low	111 Å²	111	120.4 Å²	120.4	75%	0.75	83%	0.828	S	S	*	*			trans	-70.1	-164.5	170.4	-50.1	0	0	0	0	112
480	P	54.7	Low	39.7	Very low	117 Å²	117	118.6 Å²	118.6	76%	0.76	84%	0.836	S	S	*	*			cis	-124.2	-177.3	-33.7	24.9	-2.9	0	0	0	110.7
481	S	36.9	Very low	40.1	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	84%	0.842	S	S	*	*				152.4	125.6	128.5	-63.7	0	0	0	0	112.9
482	A	40.2	Very low	40.3	Very low	108 Å²	108	120.9 Å²	120.9	89%	0.893	85%	0.845	S	S	*	*			trans	44.3	131.7	133.7	0	0	0	0	0	121.2
483	G	34.4	Very low	40.8	Very low	70 Å²	70	118.8 Å²	118.8	72%	0.722	85%	0.85	S	S	*	*			trans	150.4	95.1	145.8	0	0	0	0	0	115.5
484	S	42	Very low	40.4	Very low	134 Å²	134	118.9 Å²	118.9	94%	0.937	86%	0.857	S	S	*	*			trans	44.2	119.5	135.2	-49.7	0	0	0	0	120.4
485	G	43.6	Very low	40.9	Very low	156 Å²	156	116.1 Å²	116.1	100%	1.608	87%	0.868	S	S	*	*			trans	-174.7	0	160	0	0	0	0	0	109.9

Retrieved 485 of 485 residues in 97.5 ms (Link to these results)

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