A0A3Q0KL50_SCHMA Loading...

Putative synapsin

AlphaFold DB , UniProt , Accession A0A3Q0KL50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 783 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	39.1	Very low	32.8	Very low	239 Å²	239	156.3 Å²	156.3	100%	1.177	80%	0.8	S	S	*	*				0	91.7	0	-64.9	164.5	179	0	0	107.4
2	N	30.9	Very low	33	Very low	157 Å²	157	163.4 Å²	163.4	84%	0.84	81%	0.809	S	S	*	*			trans	-162.6	141.9	-178.8	-101.4	-31.2	0	0	0	112
3	T	28.9	Very low	33.3	Very low	130 Å²	130	160.4 Å²	160.4	80%	0.798	79%	0.789	S	S	*	*			trans	20.1	122.7	133	-38.3	0	0	0	0	118.9
4	G	34.9	Very low	33.1	Very low	75 Å²	75	154.6 Å²	154.6	77%	0.773	77%	0.772	S	S	*	*			trans	-162.1	71.5	172.6	0	0	0	0	0	113.4
5	M	26.8	Very low	33.2	Very low	169 Å²	169	147.1 Å²	147.1	83%	0.833	74%	0.74	S	S	*	*			trans	-74	125.1	173.7	-73.5	-122.6	-65.8	0	0	111.3
6	I	34.5	Very low	33.2	Very low	135 Å²	135	141.4 Å²	141.4	69%	0.692	73%	0.73	S	S	*	*			trans	-134.5	101.1	163.3	-55	-177.5	0	0	0	109.5	Y8	I6-Y8 HydrophobicContact CG2-CD2 3.73Å; I6-Y8 HydrophobicContact CG2-CE2 3.62Å; I6-Y8 PolarHBondContact O-N 3.43Å
7	T	31.4	Very low	33.3	Very low	116 Å²	116	137.9 Å²	137.9	71%	0.712	71%	0.712	S	S	*	*			trans	-78.2	97.3	178.7	-50.6	0	0	0	0	111	L9	T7-L9 PolarHBondContact O-N 3.3Å
8	Y	32.6	Very low	33.1	Very low	209 Å²	209	136.7 Å²	136.7	82%	0.82	71%	0.707	S	S	*	*			trans	-82.1	106.3	173.2	-96	-83.4	0	0	0	112	I6 K10	I6-Y8 HydrophobicContact CG2-CD2 3.73Å; I6-Y8 HydrophobicContact CG2-CE2 3.62Å; I6-Y8 PolarHBondContact O-N 3.43Å; Y8-K10 PolarHBondContact O-N 3.47Å; Y8-K10 VanDerWaalsContact O-N 3.08Å
9	L	32.9	Very low	33.1	Very low	153 Å²	153	139.5 Å²	139.5	80%	0.801	72%	0.716	S	S	*	*			trans	-67.4	100	173.3	-84.6	158.5	0	0	0	111.2	T7 R11	T7-L9 PolarHBondContact O-N 3.3Å; L9-R11 PolarHBondContact O-N 3.46Å
10	K	34.2	Very low	33.1	Very low	144 Å²	144	135.5 Å²	135.5	63%	0.626	71%	0.711	S	S	*	*			trans	-70.8	86.2	178.4	-167.1	165.4	-171	166	0	111.3	Y8 E404	Y8-K10 PolarHBondContact O-N 3.47Å; Y8-K10 VanDerWaalsContact O-N 3.08Å; K10-E404 IonicContact NZ-OE1 2.72Å; K10-E404 PolarHBondContact NZ-OE1 3.2Å
11	R	34.1	Very low	33.2	Very low	192 Å²	192	137 Å²	137	73%	0.725	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-70.7	127.2	-177.3	-148.8	179.2	-66.1	156.4	-1.1	110.6	L9	L9-R11 PolarHBondContact O-N 3.46Å
12	R	35.7	Very low	33.1	Very low	242 Å²	242	132.3 Å²	132.3	91%	0.913	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-81.7	117.9	174.6	-67.8	-177.4	-179.8	-179.4	0.3	109.6
13	F	36.5	Very low	33.4	Very low	124 Å²	124	128.1 Å²	128.1	54%	0.544	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-102.5	118.6	166.8	-75.5	-69.9	0	0	0	110.1	D456	F13-D456 VanDerWaalsContact CE2-OD1 3.24Å; F13-D456 WeakPolarHBondContact CE2-OD1 3.38Å
14	S	30.7	Very low	34	Very low	80 Å²	80	129 Å²	129	56%	0.559	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-75.3	134.6	173.2	-170.3	0	0	0	0	110.2	G16	S14-G16 PolarHBondContact O-N 3.1Å
15	S	35.1	Very low	34.4	Very low	42 Å²	42	134.6 Å²	134.6	29%	0.294	68%	0.684	S	S	.	*			trans	-89.4	87.4	178.9	-69.3	0	0	0	0	111.3	D17	S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 3.48Å
16	G	33.2	Very low	34.9	Very low	55 Å²	55	136.6 Å²	136.6	57%	0.567	68%	0.682	S	S	*	*	S	Bend	trans	65.2	-32.6	150.9	0	0	0	0	0	121.2	S14 L18	S14-G16 PolarHBondContact O-N 3.1Å; G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 2.98Å
17	D	33.8	Very low	35.1	Very low	82 Å²	82	138.9 Å²	138.9	44%	0.439	69%	0.692	S	S	.	*			trans	-85.5	34.2	-161.1	-65.7	-20.2	0	0	0	114.6	S15 T398 G399	S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 3.48Å; D17-T398 WeakPolarHBondContact OD2-CA 3.29Å; D17-G399 PolarHBondContact OD2-N 3.04Å
18	L	30.8	Very low	35.3	Very low	117 Å²	117	141.8 Å²	141.8	61%	0.613	70%	0.698	S	S	*	*			trans	-128.2	59.9	-177	-76	176.7	0	0	0	113.8	G16	G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 2.98Å
19	Q	32.8	Very low	35.6	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.883	70%	0.703	S	S	*	*	S	Bend	trans	-129.8	2.4	166	-131.9	84.6	77.8	0	0	114.4
20	G	32.9	Very low	35.6	Very low	60 Å²	60	138 Å²	138	62%	0.619	71%	0.705	S	S	*	*	S	Bend	trans	-93.3	-40.5	-179.9	0	0	0	0	0	115.2	L22	G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.39Å
21	E	35.7	Very low	35.4	Very low	166 Å²	166	139.2 Å²	139.2	78%	0.776	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	5.5	-163.1	-126.6	-174.6	153.3	0	0	115.8
22	L	35.9	Very low	35.5	Very low	141 Å²	141	135.5 Å²	135.5	74%	0.738	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	3.1	-176.8	-117.5	166.5	0	0	0	114.1	G20	G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.39Å
23	A	38.3	Very low	35.3	Very low	70 Å²	70	127.7 Å²	127.7	58%	0.579	70%	0.701	S	S	*	*	S	Bend	trans	-83.4	-45.6	174.3	0	0	0	0	0	112.4	K25 R26	A23-K25 PolarHBondContact O-N 2.83Å; A23-K25 VanDerWaalsContact O-N 3.08Å; A23-R26 PolarHBondContact O-N 2.76Å
24	D	42.2	Very low	35.1	Very low	147 Å²	147	130.5 Å²	130.5	79%	0.786	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	5.1	-169.1	-63.8	-37	0	0	0	115
25	K	41.8	Very low	35.3	Very low	193 Å²	193	135.1 Å²	135.1	84%	0.839	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	20.3	175.8	-78.9	-173.1	173.8	176.5	0	114.6	A23	A23-K25 PolarHBondContact O-N 2.83Å; A23-K25 VanDerWaalsContact O-N 3.08Å
26	R	37.6	Very low	35	Very low	212 Å²	212	144 Å²	144	80%	0.8	76%	0.757	S	S	*	*	S	Bend	trans	-125.5	26.6	170.7	-148.1	-177.8	-67.5	-161.6	-0.8	114.1	A23	A23-R26 PolarHBondContact O-N 2.76Å
27	M	39.9	Very low	35.1	Very low	183 Å²	183	151.9 Å²	151.9	90%	0.901	78%	0.777	S	S	*	*	S	Bend	trans	-115.6	40.9	168.6	-72.4	-159.2	171.5	0	0	112.4
28	Q	35.2	Very low	35.1	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	79%	0.785	S	S	*	*	S	Bend	trans	-146	150.5	162.2	-104.3	164.9	-5.4	0	0	108
29	E	37.7	Very low	35.4	Very low	202 Å²	202	151.2 Å²	151.2	94%	0.944	80%	0.797	S	S	*	*	S	Bend	trans	70.8	140.5	-173.5	-51.8	178.8	-176	0	0	116.1
30	G	33.4	Very low	35.7	Very low	81 Å²	81	147.3 Å²	147.3	84%	0.835	79%	0.791	S	S	*	*			trans	107.9	48.4	158.4	0	0	0	0	0	120.8
31	L	29.2	Very low	35.9	Very low	169 Å²	169	150.5 Å²	150.5	89%	0.885	80%	0.798	S	S	*	*			trans	-75.2	146.9	155.1	-93.1	171.3	0	0	0	110
32	P	36.7	Very low	36.1	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	80%	0.8	S	S	*	*				-149.3	-174.9	87.2	39.9	-20.9	0	0	0	117
33	S	32.5	Very low	36.2	Very low	78 Å²	78	149.5 Å²	149.5	55%	0.545	80%	0.803	S	S	.	*			trans	-52	170.2	175.6	49.2	0	0	0	0	115.9
34	F	32.3	Very low	36.2	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.803	81%	0.812	S	S	*	*			cis	-147.7	164.3	32.1	-53.9	-100.4	0	0	0	109.9
35	L	35.4	Very low	35.8	Very low	176 Å²	176	152.2 Å²	152.2	92%	0.921	82%	0.819	S	S	*	*				-161.2	-174.5	56.6	-88.6	171.8	0	0	0	112.1
36	R	28.8	Very low	35.6	Very low	228 Å²	228	148.6 Å²	148.6	86%	0.86	82%	0.818	S	S	*	*			trans	-144.2	122.6	-158.6	175.8	-153.5	-160.2	-169.7	9.7	114.5
37	F	34.3	Very low	35.7	Very low	222 Å²	222	146 Å²	146	97%	0.974	82%	0.815	S	S	*	*			trans	-163.1	142.4	156.2	-88.9	-74.6	0	0	0	108.6
38	G	34.5	Very low	35.5	Very low	59 Å²	59	144.4 Å²	144.4	61%	0.608	81%	0.805	S	S	*	*			cis	-178.1	160.8	-7.8	0	0	0	0	0	110.9
39	S	37.1	Very low	35.6	Very low	126 Å²	126	142.7 Å²	142.7	88%	0.881	80%	0.797	S	S	*	*			trans	57.2	138.8	-178.8	51.9	0	0	0	0	117.3
40	S	37.5	Very low	35.4	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	79%	0.79	S	S	*	*			cis	-164.6	-167.1	-9.7	50.3	0	0	0	0	107.3
41	T	37.4	Very low	35.5	Very low	126 Å²	126	147.1 Å²	147.1	77%	0.773	79%	0.789	S	S	*	*			cis	-148.2	-110.3	14	-36.5	0	0	0	0	113
42	Q	39.6	Very low	35.8	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	79%	0.786	S	S	*	*			trans	-143.5	164.7	-171.6	-79	174.2	3.5	0	0	108
43	S	37.9	Very low	35.9	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	79%	0.794	S	S	*	*			cis	-175.2	158.5	-9.9	47.8	0	0	0	0	110.2
44	G	38.7	Very low	35.9	Very low	76 Å²	76	153.4 Å²	153.4	78%	0.784	81%	0.808	S	S	*	*			trans	160.4	138.2	161.7	0	0	0	0	0	115.8
45	Q	34.9	Very low	36.2	Very low	197 Å²	197	150.4 Å²	150.4	92%	0.921	81%	0.81	S	S	*	*			trans	-149.2	134.7	177.1	-73.8	-174.1	-18.5	0	0	112.2
46	S	37.3	Very low	36.1	Very low	117 Å²	117	149.8 Å²	149.8	82%	0.818	81%	0.808	S	S	*	*			trans	167.9	158	157.8	50.5	0	0	0	0	111.5
47	H	38.7	Very low	36.6	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.736	81%	0.81	S	S	*	*			cis	-172.5	130.3	-42.5	-134.9	53.6	0	0	0	109.6
48	Q	36.5	Very low	36.6	Very low	149 Å²	149	144.7 Å²	144.7	70%	0.696	80%	0.801	S	S	*	*			trans	64.1	170.6	163.6	-45.8	-176.1	9.6	0	0	116.5
49	Q	36.3	Very low	36.6	Very low	141 Å²	141	147.3 Å²	147.3	66%	0.659	81%	0.805	S	S	*	*			cis	-158.3	-174.4	2.7	-145.6	171.3	19.8	0	0	112
50	Y	35.5	Very low	36.5	Very low	201 Å²	201	148.2 Å²	148.2	79%	0.788	81%	0.805	S	S	*	*			trans	82.4	164.6	166.6	-70.7	-76.5	0	0	0	121.4
51	Q	35.3	Very low	36.2	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	80%	0.801	S	S	*	*				-151.7	172.4	-91.2	-159.4	164.1	11.8	0	0	111.3
52	Q	35.3	Very low	36.2	Very low	176 Å²	176	148.8 Å²	148.8	82%	0.822	80%	0.804	S	S	*	*			trans	-84.4	157.8	-173.1	-56.7	167.8	-5.7	0	0	115.2
53	Q	38.2	Very low	35.8	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	80%	0.803	S	S	*	*			trans	-164.9	162	137.1	-111.7	171.2	31.6	0	0	112.5
54	S	33.4	Very low	35.7	Very low	120 Å²	120	151.7 Å²	151.7	84%	0.839	81%	0.809	S	S	*	*			trans	-151.9	144.9	-173.1	-51.1	0	0	0	0	112.5
55	S	38.1	Very low	35.4	Very low	121 Å²	121	152.5 Å²	152.5	85%	0.846	80%	0.803	S	S	*	*			trans	-161.6	144.1	167	54.9	0	0	0	0	113.5
56	N	33.1	Very low	35.6	Very low	163 Å²	163	150.8 Å²	150.8	87%	0.872	80%	0.8	S	S	*	*			trans	-118.6	142.2	173.3	-84.9	-24.7	0	0	0	109.7
57	I	40	Very low	35.4	Very low	175 Å²	175	153.9 Å²	153.9	90%	0.897	80%	0.801	S	S	*	*			trans	-138.9	153.9	164.1	-64.8	-173.4	0	0	0	109.3
58	Q	34.4	Very low	35.6	Very low	168 Å²	168	150.4 Å²	150.4	79%	0.785	79%	0.793	S	S	*	*			trans	-123.1	158.8	-165.9	-119.6	-178.2	-3.6	0	0	113.6
59	T	33.3	Very low	35.7	Very low	113 Å²	113	152.5 Å²	152.5	69%	0.693	80%	0.803	S	S	*	*			trans	51.5	122.2	151.7	56.3	0	0	0	0	121.1
60	T	35.3	Very low	35.6	Very low	145 Å²	145	152.4 Å²	152.4	89%	0.89	81%	0.807	S	S	*	*				177.9	163.9	106.1	30.6	0	0	0	0	110.1
61	G	31.8	Very low	35.7	Very low	65 Å²	65	153 Å²	153	67%	0.67	81%	0.814	S	S	*	*			trans	-154.2	161.5	177.6	0	0	0	0	0	112
62	H	37.1	Very low	35.8	Very low	181 Å²	181	149.8 Å²	149.8	84%	0.838	81%	0.811	S	S	*	*			trans	-144.7	156	179.7	-87.2	58.9	0	0	0	110.5
63	S	31.1	Very low	36.1	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	80%	0.801	S	S	*	*			trans	-127.9	145.5	-172.3	-50.3	0	0	0	0	111.8
64	Y	34.9	Very low	36.1	Very low	238 Å²	238	143 Å²	143	93%	0.933	80%	0.799	S	S	*	*			trans	-143.9	161.5	161.6	-84.5	-68.3	0	0	0	112.2
65	S	33.8	Very low	36.3	Very low	93 Å²	93	140.5 Å²	140.5	65%	0.65	79%	0.792	S	S	*	*			trans	-131.7	150.8	-166.1	161.6	0	0	0	0	110.8
66	N	37.6	Very low	36.5	Very low	160 Å²	160	140.9 Å²	140.9	86%	0.856	79%	0.791	S	S	*	*				-178	171.9	122.8	-86.3	-10.6	0	0	0	112.7
67	Q	34.7	Very low	36.7	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	79%	0.786	S	S	*	*			trans	-129.6	-158	-151.3	-145.7	-155.4	-11.8	0	0	112.3
68	P	43	Very low	36.4	Very low	87 Å²	87	136.5 Å²	136.5	57%	0.565	78%	0.782	S	S	*	*				-121	-173.4	-126	43.5	-25.6	0	0	0	114.8
69	Q	37.6	Very low	36.6	Very low	192 Å²	192	139.4 Å²	139.4	90%	0.897	79%	0.788	S	S	*	*			trans	-147.1	151.7	143.6	-77.4	-152.9	-32.4	0	0	111.4
70	D	33.6	Very low	36.7	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	79%	0.793	S	S	*	*			trans	-95.1	169.7	-173.9	-54.9	-89.1	0	0	0	114
71	F	37.8	Very low	36.9	Very low	213 Å²	213	141.3 Å²	141.3	93%	0.934	79%	0.786	S	S	*	*				-166.1	162	119.1	-102.6	-67.3	0	0	0	111.9
72	S	38.8	Very low	37.1	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	79%	0.794	S	S	*	*			trans	-99.6	-176.4	-168	60.9	0	0	0	0	112.8
73	S	40.1	Very low	37.1	Very low	88 Å²	88	150 Å²	150	62%	0.615	79%	0.792	S	S	*	*			cis	-165.4	164.8	18.5	60.8	0	0	0	0	113.4
74	T	39.7	Very low	37.2	Very low	142 Å²	142	148.1 Å²	148.1	87%	0.871	79%	0.79	S	S	*	*			trans	58	153.5	157.6	55	0	0	0	0	119.9
75	G	37.6	Very low	37.4	Very low	68 Å²	68	142.1 Å²	142.1	70%	0.701	78%	0.783	S	S	*	*			cis	-170	165.4	-3.3	0	0	0	0	0	110.1
76	P	41.9	Very low	37.5	Very low	128 Å²	128	144.4 Å²	144.4	83%	0.831	79%	0.794	S	S	*	*			trans	-113.3	159.2	-147.8	40.3	-35.3	0	0	0	119.4
77	A	37.5	Very low	37.3	Very low	92 Å²	92	141 Å²	141	76%	0.76	79%	0.788	S	S	*	*			trans	63.1	112.8	143.1	0	0	0	0	0	121.9
78	N	33.6	Very low	37.9	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	79%	0.785	S	S	*	*			trans	-160.9	125.7	131.3	-128.9	-22.9	0	0	0	111
79	Y	38.1	Very low	37.5	Very low	229 Å²	229	140.5 Å²	140.5	90%	0.898	80%	0.798	S	S	*	*			trans	-143.8	103.5	172.8	-72.1	-66.8	0	0	0	110.9
80	D	34.8	Very low	37.6	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	80%	0.795	S	S	*	*			trans	-87.3	134.3	163.1	-179.5	12.4	0	0	0	108.4
81	M	40.2	Very low	37.7	Very low	148 Å²	148	137.1 Å²	137.1	73%	0.729	80%	0.795	S	S	*	*			trans	-151.2	113.9	176.4	-117.4	-57.3	-150.8	0	0	112.1
82	R	35.2	Very low	37.7	Very low	224 Å²	224	134.9 Å²	134.9	85%	0.845	79%	0.788	S	S	*	*			trans	-71.9	134.9	169.7	-61.8	174.2	177.1	-177.9	-2.3	109.9
83	Y	38.6	Very low	37.6	Very low	203 Å²	203	138.4 Å²	138.4	80%	0.796	79%	0.792	S	S	*	*			trans	-111.5	111.8	155.7	-97	-88.9	0	0	0	110.4
84	G	32.2	Very low	37.4	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	80%	0.804	S	S	*	*			trans	-100.1	135.2	156.6	0	0	0	0	0	108.6
85	S	38.1	Very low	37.2	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	80%	0.802	S	S	*	*			trans	-147.3	142.2	169	-75.5	0	0	0	0	109.3
86	T	36.5	Very low	36.8	Very low	142 Å²	142	145 Å²	145	87%	0.871	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.1	146.6	-167.5	45.1	0	0	0	0	112.6
87	A	34.6	Very low	36.5	Very low	89 Å²	89	143.9 Å²	143.9	74%	0.736	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.7	145.8	174.3	0	0	0	0	0	112.2
88	P	46	Very low	36.4	Very low	122 Å²	122	147.7 Å²	147.7	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.8	123.5	162.6	33.6	-28.4	0	0	0	110.5
89	T	35.8	Very low	36.3	Very low	136 Å²	136	146.4 Å²	146.4	83%	0.834	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91.8	116.2	171.8	-39.8	0	0	0	0	109.4
90	M	38.4	Very low	36.1	Very low	168 Å²	168	140.2 Å²	140.2	83%	0.828	80%	0.8	S	S	*	*			trans	-107.3	124.8	168.1	-77.1	-81.8	-79.5	0	0	108.7
91	A	35.6	Very low	35.9	Very low	92 Å²	92	139.4 Å²	139.4	76%	0.76	80%	0.801	S	S	*	*			trans	-123.2	109	174.9	0	0	0	0	0	108.6
92	E	39.3	Very low	35.6	Very low	166 Å²	166	139.5 Å²	139.5	78%	0.776	81%	0.81	S	S	*	*			trans	-87	113.3	174.3	-68.2	-170.4	129.6	0	0	109.9
93	Q	35.4	Very low	35.6	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	81%	0.809	S	S	*	*			trans	-83.5	127.3	161.9	-63.7	177.4	-86.5	0	0	108.5
94	F	36.9	Very low	35.5	Very low	197 Å²	197	128.7 Å²	128.7	86%	0.864	81%	0.81	S	S	*	*			trans	-128.1	124.1	157.9	-97.8	-80.7	0	0	0	110.5
95	S	34.2	Very low	35.7	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	82%	0.818	S	S	*	*			trans	-78.1	159.1	-178.7	-66.6	0	0	0	0	112.2
96	S	30.5	Very low	35.5	Very low	122 Å²	122	136.4 Å²	136.4	85%	0.853	82%	0.82	S	S	*	*			trans	-90.8	131.6	-178.5	44.6	0	0	0	0	113.8
97	S	35.3	Very low	35.4	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	82%	0.819	S	S	*	*			trans	-154.3	130.2	159	54.9	0	0	0	0	106.7
98	Q	35.5	Very low	35.4	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	82%	0.821	S	S	*	*				50.9	121.4	70	-63.1	-162.4	96.3	0	0	111.2
99	T	32.1	Very low	34.8	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	82%	0.819	S	S	*	*			cis	-163.3	-175	8	-5.9	0	0	0	0	111.6
100	A	33.8	Very low	34.6	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	82%	0.819	S	S	*	*			trans	85.2	154.6	156.4	0	0	0	0	0	119
101	T	30.7	Very low	34.4	Very low	135 Å²	135	134.2 Å²	134.2	83%	0.828	82%	0.818	S	S	*	*			trans	-124.1	141.6	-166.1	50.5	0	0	0	0	111.5
102	T	34.1	Very low	34.1	Very low	150 Å²	150	133 Å²	133	92%	0.92	82%	0.815	S	S	*	*			trans	-142.5	142.2	159.1	-44.9	0	0	0	0	109.3
103	A	33.4	Very low	33.8	Very low	99 Å²	99	136.6 Å²	136.6	82%	0.818	82%	0.821	S	S	*	*			trans	-90.5	148.8	-171.6	0	0	0	0	0	113.5
104	A	37.1	Very low	33.5	Very low	100 Å²	100	131.4 Å²	131.4	83%	0.826	82%	0.817	S	S	*	*			trans	-143	152.9	165.7	0	0	0	0	0	109.9
105	N	36.2	Very low	33.4	Very low	168 Å²	168	127.2 Å²	127.2	90%	0.898	80%	0.795	S	S	*	*			trans	-86.3	161.2	-161.4	-76.7	-41.8	0	0	0	116
106	H	34.3	Very low	33.1	Very low	177 Å²	177	125.2 Å²	125.2	82%	0.819	79%	0.793	S	S	*	*			trans	-56.3	141.4	175.8	-73.9	-83.2	0	0	0	115
107	I	34.7	Very low	33.2	Very low	166 Å²	166	121.3 Å²	121.3	85%	0.851	77%	0.768	S	S	*	*				-133.9	126.5	129.7	-57.5	-177.7	0	0	0	107.5
108	P	35	Very low	33.5	Very low	118 Å²	118	118.3 Å²	118.3	77%	0.766	74%	0.741	S	S	*	*			trans	-87.9	136.1	-178.8	33.3	-32.9	0	0	0	112.8
109	G	31.9	Very low	33.6	Very low	73 Å²	73	111.6 Å²	111.6	75%	0.753	71%	0.713	S	S	*	*			trans	-148.7	52.8	-179.9	0	0	0	0	0	113.2	V111	G109-V111 PolarHBondContact O-N 2.97Å
110	S	32.5	Very low	33.6	Very low	120 Å²	120	106 Å²	106	84%	0.839	68%	0.679	S	S	*	*			trans	-83.3	97.1	-174.7	-169.6	0	0	0	0	112.7	G112	S110-G112 PolarHBondContact O-N 2.93Å
111	V	34.3	Very low	33.7	Very low	134 Å²	134	103.1 Å²	103.1	81%	0.812	66%	0.655	S	S	*	*			trans	-84.3	85	166	-176.6	0	0	0	0	108.7	G109 R113	G109-V111 PolarHBondContact O-N 2.97Å; V111-R113 PolarHBondContact O-N 2.88Å
112	G	30.1	Very low	33.8	Very low	67 Å²	67	100.9 Å²	100.9	69%	0.691	64%	0.643	S	S	*	*			trans	-67.1	93.4	-179.2	0	0	0	0	0	113	S110 G114	S110-G112 PolarHBondContact O-N 2.93Å; G112-G114 PolarHBondContact O-N 2.84Å; G112-G114 VanDerWaalsContact O-N 3.14Å
113	R	31.8	Very low	33.8	Very low	241 Å²	241	97.7 Å²	97.7	91%	0.909	62%	0.624	S	S	*	*			trans	-67.5	107.1	165.8	-73.3	-172.7	174	-164.9	-2.5	109.1	V111 R115	V111-R113 PolarHBondContact O-N 2.88Å; R113-R115 PolarHBondContact O-N 2.58Å
114	G	29.8	Very low	33.8	Very low	73 Å²	73	98.4 Å²	98.4	75%	0.753	62%	0.623	S	S	*	*			trans	-57.4	132.7	-179.4	0	0	0	0	0	112.6	G112	G112-G114 PolarHBondContact O-N 2.84Å; G112-G114 VanDerWaalsContact O-N 3.14Å
115	R	34	Very low	33.7	Very low	109 Å²	109	99.3 Å²	99.3	41%	0.411	62%	0.62	S	S	.	*			trans	-62.8	136.1	163.2	-90.7	-178.7	164.2	157.2	-5	108.4	R113 A117 S210 E255	R113-R115 PolarHBondContact O-N 2.58Å; R115-A117 PolarHBondContact O-N 2.92Å; R115-S210 PolarHBondContact NH1-OG 2.82Å; R115-E255 IonicContact CZ-OE1 3.8Å; R115-E255 IonicContact NE-OE1 2.71Å; R115-E255 IonicContact NH2-OE1 2.72Å; R115-E255 PolarHBondContact NH2-OE1 3.42Å; R115-E255 IonicContact NH2-OE2 3.55Å
116	G	28	Very low	33.5	Very low	77 Å²	77	97.6 Å²	97.6	79%	0.794	62%	0.615	S	S	*	*			trans	-72.2	76.5	176.5	0	0	0	0	0	111.7	Y118	G116-Y118 PolarHBondContact O-N 2.83Å
117	A	32	Very low	33.6	Very low	39 Å²	39	100.8 Å²	100.8	32%	0.322	62%	0.62	S	S	.	*			trans	-62.2	128.2	174.4	0	0	0	0	0	110	R115	R115-A117 PolarHBondContact O-N 2.92Å
118	Y	41.8	Very low	33.4	Very low	40 Å²	40	98.3 Å²	98.3	16%	0.157	62%	0.618	C	S	.	*			trans	-56.6	139.5	174.9	-41.2	-94.9	0	0	0	109.6	G116 D182 Q184 Q248	G116-Y118 PolarHBondContact O-N 2.83Å; Y118-D182 WeakPolarHBondContact O-CB 3.23Å; Y118-Q184 PolarHBondContact O-NE2 3.09Å; Y118-Q248 HydrophobicContact CD2-CG 3.97Å; Y118-Q248 HydrophobicContact CE2-CG 3.45Å; Y118-Q248 VanDerWaalsContact CE2-CG 3.45Å; Y118-Q248 VanDerWaalsContact CE2-NE2 3.31Å; Y118-Q248 PolarHBondContact OH-NE2 3.36Å
119	P	37.6	Very low	33.5	Very low	32 Å²	32	101.4 Å²	101.4	21%	0.208	62%	0.624	C	S	.	*			trans	-97.3	102.1	168.2	31.5	-33.5	0	0	0	112.1	A121	P119-A121 VanDerWaalsContact C-N 3.3Å; P119-A121 PolarHBondContact O-N 2.93Å
120	S	33.3	Very low	33.5	Very low	8 Å²	8	101.8 Å²	101.8	6%	0.056	63%	0.628	C	S	.	*			trans	-74.7	87	140.6	-65.7	0	0	0	0	108.1	D182 T185 R462	S120-D182 WeakPolarHBondContact CB-OD2 3.47Å; S120-D182 PolarHBondContact N-OD2 3.4Å; S120-D182 PolarHBondContact OG-OD2 2.92Å; S120-T185 VanDerWaalsContact CB-OG1 3.24Å; S120-T185 WeakPolarHBondContact CB-OG1 3.34Å; S120-T185 PolarHBondContact O-OG1 3.44Å; S120-R462 PolarHBondContact O-NH2 3.37Å; S120-R462 VanDerWaalsContact O-NH2 3.16Å
121	A	35.9	Very low	33.6	Very low	39 Å²	39	104 Å²	104	32%	0.322	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-49.9	134.8	-158	0	0	0	0	0	115.5	P119 T123 R462	P119-A121 VanDerWaalsContact C-N 3.3Å; P119-A121 PolarHBondContact O-N 2.93Å; A121-T123 PolarHBondContact O-N 2.74Å; A121-R462 PolarHBondContact O-NH2 3.12Å
122	P	31.3	Very low	33.5	Very low	88 Å²	88	100.8 Å²	100.8	57%	0.571	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-77.7	117.3	-177.2	30	-34.3	0	0	0	111.8
123	T	34.1	Very low	33.8	Very low	84 Å²	84	102.2 Å²	102.2	52%	0.515	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-96.3	119.8	169.5	43.9	0	0	0	0	110.5	A121	A121-T123 PolarHBondContact O-N 2.74Å
124	S	33.8	Very low	34	Very low	114 Å²	114	96.7 Å²	96.7	80%	0.797	63%	0.627	S	S	*	*			trans	-153	160.7	178.8	-81.5	0	0	0	0	110.9
125	P	35.3	Very low	34.4	Very low	119 Å²	119	101.4 Å²	101.4	77%	0.773	63%	0.634	S	S	*	*			cis	-121.1	173.2	-3	37.8	-23.3	0	0	0	115.1
126	T	32.4	Very low	34.8	Very low	131 Å²	131	104.7 Å²	104.7	80%	0.804	66%	0.656	S	S	*	*			trans	-12.1	135.3	156.6	-49.3	0	0	0	0	118.4	S128	T126-S128 PolarHBondContact O-N 3.1Å
127	R	34.9	Very low	35.4	Very low	244 Å²	244	104.4 Å²	104.4	92%	0.921	65%	0.653	S	S	*	*			trans	-69.2	115.6	163	-66.8	-179.9	-178.7	170.4	0.1	110.7	M129	R127-M129 PolarHBondContact O-N 3.18Å
128	S	31.4	Very low	35.9	Very low	114 Å²	114	107.8 Å²	107.8	80%	0.797	67%	0.672	S	S	*	*			trans	-78.7	110.1	161.4	41.1	0	0	0	0	109.9	T126 G130	T126-S128 PolarHBondContact O-N 3.1Å; S128-G130 PolarHBondContact O-N 3.2Å
129	M	37.1	Very low	36	Very low	183 Å²	183	114.7 Å²	114.7	90%	0.901	71%	0.708	S	S	*	*			trans	-81.9	93.3	167.1	-121.6	-172.6	179	0	0	108.7	R127 L131	R127-M129 PolarHBondContact O-N 3.18Å; M129-L131 PolarHBondContact O-N 3.26Å; M129-L131 VanDerWaalsContact O-N 3.12Å
130	G	31.4	Very low	36	Very low	81 Å²	81	116.5 Å²	116.5	84%	0.835	73%	0.732	S	S	*	*			trans	-73.6	93.8	169.5	0	0	0	0	0	110.3	S128	S128-G130 PolarHBondContact O-N 3.2Å
131	L	34.2	Very low	36.5	Very low	168 Å²	168	121.4 Å²	121.4	88%	0.88	77%	0.767	S	S	*	*			trans	-95	106.2	174.5	-140.7	173.4	0	0	0	108.2	M129	M129-L131 PolarHBondContact O-N 3.26Å; M129-L131 VanDerWaalsContact O-N 3.12Å
132	G	33.5	Very low	36.7	Very low	65 Å²	65	127 Å²	127	67%	0.67	79%	0.79	S	S	*	*			trans	-118.5	153.5	-169.9	0	0	0	0	0	114.8
133	A	35.4	Very low	37.1	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	80%	0.799	S	S	*	*			trans	82.8	129.8	171.3	0	0	0	0	0	118.8
134	S	37.7	Very low	37.3	Very low	124 Å²	124	128.2 Å²	128.2	87%	0.867	81%	0.811	S	S	*	*			trans	72.2	131.8	175.3	-44.1	0	0	0	0	115.6
135	L	38.3	Very low	37.9	Very low	172 Å²	172	131 Å²	131	90%	0.901	81%	0.811	S	S	*	*			cis	-135.8	163.7	9.4	-173	59.2	0	0	0	111.5
136	M	42.2	Very low	38.1	Very low	179 Å²	179	132.6 Å²	132.6	88%	0.882	81%	0.812	S	S	*	*			trans	-74.2	158.6	-170.4	-65.2	-87.4	-111.9	0	0	114.8
137	G	38.9	Very low	38.2	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	81%	0.805	S	S	*	*			trans	-86	-132.3	170.1	0	0	0	0	0	113.1
138	P	44	Very low	38.6	Very low	110 Å²	110	127.6 Å²	127.6	71%	0.714	81%	0.805	S	S	*	*			cis	-142.6	-176.1	12.5	45.4	-27.7	0	0	0	116.9
139	M	42.9	Very low	39.1	Very low	185 Å²	185	127.8 Å²	127.8	91%	0.911	80%	0.802	S	S	*	*			trans	67.5	145.3	163.2	-62.7	-175.6	-78.9	0	0	119.1
140	G	38.7	Very low	39.1	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	79%	0.791	S	S	*	*			cis	166.4	142.5	-14.1	0	0	0	0	0	116.6
141	S	42.7	Very low	39.9	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	79%	0.789	S	S	*	*			trans	73.4	141.4	152.2	-131	0	0	0	0	122.3
142	L	40.9	Very low	40.3	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	78%	0.779	S	S	*	*			trans	61.2	153	156.9	-62.3	155.3	0	0	0	119
143	T	40.3	Very low	40.3	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	78%	0.778	S	S	*	*			cis	169.8	118.7	-37.7	-89.9	0	0	0	0	105.9
144	G	37.2	Very low	40.6	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	78%	0.782	S	S	*	*			trans	77.2	164.6	175	0	0	0	0	0	115.9
145	Q	46.5	Very low	40.8	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	78%	0.782	S	S	*	*			cis	-162.9	157.5	-16.3	-141.7	-172.6	-15.6	0	0	110.5
146	I	39.9	Very low	40.7	Very low	152 Å²	152	135.3 Å²	135.3	78%	0.779	78%	0.775	S	S	*	*			trans	74.4	145.2	162.2	-60.4	164.7	0	0	0	116.9
147	S	34.1	Very low	40.5	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	77%	0.774	S	S	*	*			trans	-75.8	159.9	-171.6	-45.5	0	0	0	0	115.1
148	N	42.8	Very low	40.7	Very low	174 Å²	174	132.7 Å²	132.7	93%	0.93	78%	0.775	S	S	*	*			trans	-137.6	156.4	140.6	-107.5	-45.7	0	0	0	110.8
149	T	42.3	Very low	40.7	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.724	77%	0.771	S	S	*	*			trans	-119.3	160	-156.3	-56.6	0	0	0	0	112.1
150	L	38.1	Very low	40.7	Very low	130 Å²	130	127.8 Å²	127.8	68%	0.681	76%	0.757	S	S	*	*			trans	71.5	85.4	163.7	-88.8	159.2	0	0	0	119.4	R152	L150-R152 HydrophobicContact CD2-CG 4.42Å
151	M	46.7	Very low	40.9	Very low	157 Å²	157	128.3 Å²	128.3	77%	0.773	76%	0.755	S	S	*	*				-135.7	96.6	129.2	-84.1	-65.4	-98.8	0	0	107.5
152	R	44	Very low	40.9	Very low	181 Å²	181	131 Å²	131	68%	0.683	76%	0.755	S	S	*	*				59.2	88.3	93.2	-64.3	-176.5	-159.1	138.4	1.4	112.3	L150	L150-R152 HydrophobicContact CD2-CG 4.42Å
153	S	33.1	Very low	41	Very low	93 Å²	93	130.4 Å²	130.4	65%	0.65	75%	0.753	S	S	*	*				83.2	82.2	65.3	74.7	0	0	0	0	115
154	F	41.7	Very low	41.1	Very low	205 Å²	205	131.4 Å²	131.4	90%	0.899	75%	0.752	S	S	*	*			trans	-146.7	159.4	144.8	-84.1	-68.4	0	0	0	108.5
155	N	41.4	Very low	41.1	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	75%	0.75	S	S	*	*			trans	61.8	80.1	-173	-62.1	-11.8	0	0	0	115.2
156	T	36.7	Very low	40.7	Very low	123 Å²	123	127.8 Å²	127.8	76%	0.755	75%	0.745	S	S	*	*			trans	-139.1	110.4	164.4	-63.1	0	0	0	0	109.1
157	A	36.9	Very low	40.7	Very low	104 Å²	104	129.9 Å²	129.9	86%	0.86	75%	0.748	S	S	*	*	S	Bend	trans	-161.6	-38.2	175	0	0	0	0	0	113.7
158	A	43.7	Very low	40.6	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	76%	0.757	S	S	*	*	S	Bend	trans	-107.5	-18.1	-164.1	0	0	0	0	0	116.5
159	S	43.1	Very low	40.7	Very low	92 Å²	92	127.8 Å²	127.8	64%	0.643	73%	0.73	S	S	*	*	S	Bend	trans	-105.2	-4.1	-161.7	43.6	0	0	0	0	116.6
160	T	44.8	Very low	41.2	Very low	100 Å²	100	126.8 Å²	126.8	61%	0.613	73%	0.728	S	S	*	*	S	Bend	trans	-107.3	-12.7	-173.4	-39.8	0	0	0	0	113.9
161	A	41.8	Very low	42.1	Very low	80 Å²	80	129.7 Å²	129.7	66%	0.661	74%	0.735	S	S	*	*	S	Bend	trans	-77.4	-29.1	-177.7	0	0	0	0	0	114.3
162	Q	42.1	Very low	43.1	Very low	170 Å²	170	128.1 Å²	128.1	79%	0.794	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-17.8	-171.3	-71.9	-170.3	-32.1	0	0	115	I164	Q162-I164 PolarHBondContact O-N 3.22Å
163	N	43	Very low	45	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	3.9	-175.9	-77.2	-36.7	0	0	0	115.4
164	I	44	Very low	47.7	Very low	146 Å²	146	121.5 Å²	121.5	75%	0.749	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-22.9	177.4	-61.4	-179.6	0	0	0	111.9	Q162 G166	Q162-I164 PolarHBondContact O-N 3.22Å; I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 2.9Å
165	S	37.3	Very low	50.3	Low	103 Å²	103	113.6 Å²	113.6	72%	0.72	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-3.8	179.4	-165.1	0	0	0	0	115
166	G	36.9	Very low	52.9	Low	67 Å²	67	107.3 Å²	107.3	69%	0.691	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	14.9	-169.1	0	0	0	0	0	117	I164	I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 2.9Å
167	K	39.9	Very low	55.8	Low	196 Å²	196	101.4 Å²	101.4	85%	0.852	59%	0.588	S	S	*	*	S	Bend	trans	-109.6	3.9	-178.8	-72.3	-175.1	177	177.7	0	115.1
168	M	33.3	Very low	58.7	Low	173 Å²	173	96.5 Å²	96.5	85%	0.852	55%	0.547	S	S	*	.	S	Bend	trans	-110.8	131.1	159.5	-65.9	159.6	57.5	0	0	106.2
169	S	43.9	Very low	61.3	Low	53 Å²	53	92.2 Å²	92.2	37%	0.371	51%	0.511	S	S	.	.			cis	-138.4	73.7	3.2	45.5	0	0	0	0	110.6	K171 E172	S169-K171 PolarHBondContact O-N 2.64Å; S169-E172 VanDerWaalsContact CB-OE2 3.26Å; S169-E172 WeakPolarHBondContact CB-OE2 3.46Å; S169-E172 VanDerWaalsContact O-CB 3.27Å; S169-E172 WeakPolarHBondContact O-CB 3.47Å; S169-E172 PolarHBondContact O-N 3.19Å; S169-E172 PolarHBondContact OG-OE2 2.68Å
170	S	52	Low	63.9	Low	97 Å²	97	87.8 Å²	87.8	68%	0.678	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.1	-172.4	59.7	0	0	0	0	116.8
171	K	58.3	Low	66.4	Low	190 Å²	190	83.2 Å²	83.2	83%	0.826	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.4	171	-69.2	-174.7	176.8	-179.1	0	114.2	S169	S169-K171 PolarHBondContact O-N 2.64Å
172	E	66.3	Low	68.7	Low	124 Å²	124	79.4 Å²	79.4	58%	0.579	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-34.4	-174.5	-170.4	164.1	-157.8	0	0	111.3	S169 Q174 W200	S169-E172 VanDerWaalsContact CB-OE2 3.26Å; S169-E172 WeakPolarHBondContact CB-OE2 3.46Å; S169-E172 VanDerWaalsContact O-CB 3.27Å; S169-E172 WeakPolarHBondContact O-CB 3.47Å; S169-E172 PolarHBondContact O-N 3.19Å; S169-E172 PolarHBondContact OG-OE2 2.68Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 3.44Å; E172-W200 WeakPolarHBondContact O-CH2 3.39Å; E172-W200 WeakPolarHBondContact O-CZ3 3.38Å
173	H	84.7	Confident	71	Confident	81 Å²	81	76.2 Å²	76.2	38%	0.375	41%	0.413	S	S	.	.	S	Bend	trans	-96.3	38	175.8	-66.3	-121.9	0	0	0	112.2	D199 W200 E201	H173-D199 IonicContact CE1-OD2 2.64Å; H173-D199 PolarHBondContact CE1-OD2 3.29Å; H173-D199 IonicContact CG-OD2 2.71Å; H173-D199 IonicContact ND1-OD2 3.45Å; H173-D199 PolarHBondContact ND1-OD2 2.91Å; H173-W200 HydrophobicContact CB-CD2 4.41Å; H173-W200 HydrophobicContact CB-CG 4.33Å; H173-W200 AromaticContact ND1-NE1 3.94Å; H173-W200 CarbonylContact O-C 3.55Å; H173-W200 VanDerWaalsContact O-CA 3.27Å; H173-W200 WeakPolarHBondContact O-CA 3.5Å; H173-E201 PolarHBondContact O-N 2.97Å
174	Q	90.6	Very high	73.3	Confident	54 Å²	54	72.7 Å²	72.7	25%	0.252	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.4	-178.7	-175.3	166	99.8	0	0	111.7	E172 E201 K203	E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 3.44Å; Q174-E201 CarbonylContact C-O 3.55Å; Q174-E201 WeakPolarHBondContact CA-O 3.44Å; Q174-K203 HydrophobicContact CG-CB 4.04Å
175	K	94.8	Very high	75.7	Confident	40 Å²	40	65.9 Å²	65.9	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.2	171.9	-69.2	-57.3	-173.1	-172.4	0	111.2	L196 W200 E201 I202 K203 D242 M473	K175-L196 HydrophobicContact CB-CD1 3.94Å; K175-L196 HydrophobicContact CG-CD1 3.91Å; K175-W200 HydrophobicContact CD-CE3 4.14Å; K175-W200 HydrophobicContact CD-CZ3 4.06Å; K175-W200 HydrophobicContact CG-CE3 3.9Å; K175-W200 HydrophobicContact CG-CZ3 4.33Å; K175-E201 PolarHBondContact N-O 2.86Å; K175-I202 CarbonylContact O-C 3.59Å; K175-I202 WeakPolarHBondContact O-CA 3.34Å; K175-K203 PolarHBondContact O-N 3.07Å; K175-D242 WeakPolarHBondContact CA-OD2 3.43Å; K175-D242 HydrophobicContact CB-CB 4.43Å; K175-D242 HydrophobicContact CD-CB 3.91Å; K175-D242 WeakPolarHBondContact CD-OD1 3.21Å; K175-D242 WeakPolarHBondContact CD-OD2 3.45Å; K175-D242 WeakPolarHBondContact CE-OD1 3.43Å; K175-D242 IonicContact NZ-OD1 3.36Å; K175-D242 PolarHBondContact NZ-OD1 3.18Å; K175-M473 HydrophobicContact CB-CE 3.99Å
176	I	96.2	Very high	78.5	Confident	27 Å²	27	64.1 Å²	64.1	14%	0.138	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.8	-178	-54	-175.6	0	0	0	110	K203 E205 F239 D242 F243	I176-K203 WeakPolarHBondContact CA-O 3.49Å; I176-K203 HydrophobicContact CG1-CB 4.39Å; I176-K203 HydrophobicContact CG1-CD 4.47Å; I176-E205 HydrophobicContact CG2-CB 4.46Å; I176-E205 HydrophobicContact CG2-CG 3.78Å; I176-F239 HydrophobicContact CD1-CB 4.04Å; I176-F239 HydrophobicContact CG2-CD2 3.74Å; I176-F239 HydrophobicContact CG2-CE2 4.15Å; I176-F239 HydrophobicContact CG2-CG 4.47Å; I176-D242 PolarHBondContact N-OD2 3.43Å; I176-D242 PolarHBondContact O-N 3.36Å; I176-F243 PolarHBondContact O-N 3.43Å
177	L	97.9	Very high	81.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.8	171.1	172.3	62.3	0	0	0	109.2	V179 F191 I202 K203 V204 E205 F243 L245 V469 M473	L177-V179 HydrophobicContact CD2-CG2 4.16Å; L177-V179 HydrophobicContact CG-CG2 4.04Å; L177-F191 HydrophobicContact CD2-CD1 4.07Å; L177-F191 HydrophobicContact CD2-CD2 3.95Å; L177-F191 HydrophobicContact CD2-CE1 3.63Å; L177-F191 HydrophobicContact CD2-CE2 3.51Å; L177-F191 HydrophobicContact CD2-CG 4.22Å; L177-F191 HydrophobicContact CD2-CZ 3.33Å; L177-I202 HydrophobicContact CB-CG2 3.81Å; L177-I202 HydrophobicContact CD2-CG2 4.5Å; L177-K203 PolarHBondContact N-O 3.43Å; L177-V204 HydrophobicContact CD2-CG2 4.46Å; L177-V204 WeakPolarHBondContact O-CA 3.43Å; L177-E205 PolarHBondContact O-N 3.23Å; L177-F243 HydrophobicContact CD1-CB 4.11Å; L177-F243 HydrophobicContact CD1-CD1 3.71Å; L177-F243 HydrophobicContact CD1-CG 4.38Å; L177-L245 HydrophobicContact CD1-CB 4.38Å; L177-V469 HydrophobicContact CD1-CG1 3.93Å; L177-V469 HydrophobicContact CD2-CG1 3.86Å; L177-M473 HydrophobicContact CB-CE 4.38Å; L177-M473 HydrophobicContact CB-SD 4.39Å; L177-M473 HydrophobicContact CD1-SD 4.32Å
178	L	98.3	Very high	84.1	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.2	167.6	173.1	61.1	0	0	0	109.8	I180 E205 I212 V224 I226 F239 P241 F243 V244 L245	L178-I180 HydrophobicContact CD1-CG1 4.39Å; L178-I180 HydrophobicContact CD2-CD1 4.14Å; L178-I180 HydrophobicContact CD2-CG1 4.14Å; L178-I180 HydrophobicContact CG-CD1 4.49Å; L178-I180 HydrophobicContact CG-CG1 3.95Å; L178-E205 CarbonylContact C-O 3.58Å; L178-E205 VanDerWaalsContact CA-O 3.31Å; L178-E205 WeakPolarHBondContact CA-O 3.38Å; L178-I212 HydrophobicContact CD1-CD1 4.32Å; L178-I212 HydrophobicContact CD2-CD1 4.48Å; L178-V224 HydrophobicContact CD2-CG1 4.13Å; L178-V224 HydrophobicContact CD2-CG2 4.15Å; L178-I226 HydrophobicContact CD1-CD1 4.48Å; L178-F239 HydrophobicContact CB-CE2 4.49Å; L178-F239 HydrophobicContact CD1-CE2 4.47Å; L178-F239 HydrophobicContact CD1-CZ 4.2Å; L178-P241 HydrophobicContact CB-CB 3.96Å; L178-F243 PolarHBondContact N-O 2.93Å; L178-V244 HydrophobicContact CB-CG1 4.39Å; L178-V244 HydrophobicContact CB-CG2 4.31Å; L178-V244 HydrophobicContact CD2-CG1 4.26Å; L178-V244 HydrophobicContact CD2-CG2 4.32Å; L178-V244 HydrophobicContact CG-CG1 4.23Å; L178-V244 CarbonylContact O-C 3.59Å; L178-V244 VanDerWaalsContact O-CA 3.25Å; L178-V244 WeakPolarHBondContact O-CA 3.25Å; L178-L245 PolarHBondContact O-N 3.45Å
179	V	98.5	Very high	87.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.2	169.9	-173.3	0	0	0	0	109.3	L177 D181 W187 V204 E205 Q206 A207 L245	L177-V179 HydrophobicContact CD2-CG2 4.16Å; L177-V179 HydrophobicContact CG-CG2 4.04Å; V179-D181 HydrophobicContact CG1-CB 4.09Å; V179-W187 HydrophobicContact CB-CB 4.45Å; V179-W187 HydrophobicContact CB-CG 4.45Å; V179-W187 HydrophobicContact CG1-CB 4.26Å; V179-W187 HydrophobicContact CG1-CD2 4.18Å; V179-W187 HydrophobicContact CG1-CG 3.75Å; V179-W187 HydrophobicContact CG2-CB 4.12Å; V179-W187 HydrophobicContact CG2-CG 4.41Å; V179-V204 HydrophobicContact CG2-CG1 3.95Å; V179-E205 PolarHBondContact N-O 2.92Å; V179-Q206 HydrophobicContact CB-CG 4.41Å; V179-Q206 WeakPolarHBondContact O-CA 3.35Å; V179-A207 PolarHBondContact O-N 2.92Å; V179-L245 WeakPolarHBondContact CA-O 3.47Å; V179-L245 HydrophobicContact CG1-CB 4.38Å; V179-L245 HydrophobicContact CG1-CD2 4.02Å; V179-L245 HydrophobicContact CG1-CG 4.27Å; V179-L245 HydrophobicContact CG2-CB 4.31Å; V179-L245 HydrophobicContact CG2-CD2 4.34Å
180	I	97.9	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	93.2	176.3	-49.4	-174.1	0	0	0	108.7	L178 A207 F209 I212 V244 L245 V246 R247 Q248 L264	L178-I180 HydrophobicContact CD1-CG1 4.39Å; L178-I180 HydrophobicContact CD2-CD1 4.14Å; L178-I180 HydrophobicContact CD2-CG1 4.14Å; L178-I180 HydrophobicContact CG-CD1 4.49Å; L178-I180 HydrophobicContact CG-CG1 3.95Å; I180-A207 WeakPolarHBondContact CA-O 3.31Å; I180-F209 HydrophobicContact CD1-CD1 4.05Å; I180-F209 HydrophobicContact CD1-CE1 3.63Å; I180-F209 HydrophobicContact CD1-CZ 4.15Å; I180-F209 HydrophobicContact CG2-CB 4.35Å; I180-F209 HydrophobicContact CG2-CD1 3.82Å; I180-F209 HydrophobicContact CG2-CD2 3.67Å; I180-F209 HydrophobicContact CG2-CE1 3.97Å; I180-F209 HydrophobicContact CG2-CE2 3.81Å; I180-F209 HydrophobicContact CG2-CG 3.65Å; I180-F209 HydrophobicContact CG2-CZ 3.95Å; I180-I212 HydrophobicContact CD1-CD1 3.99Å; I180-I212 HydrophobicContact CG1-CD1 3.99Å; I180-I212 HydrophobicContact CG2-CD1 4.41Å; I180-V244 HydrophobicContact CD1-CG1 3.97Å; I180-V244 HydrophobicContact CG1-CG1 4.04Å; I180-L245 PolarHBondContact N-O 2.71Å; I180-V246 HydrophobicContact CD1-CG2 4.31Å; I180-R247 PolarHBondContact O-N 2.84Å; I180-Q248 HydrophobicContact CG2-CB 4.32Å; I180-Q248 PolarHBondContact O-N 2.71Å; I180-L264 HydrophobicContact CD1-CD1 4.5Å
181	D	96.8	Very high	91.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	21%	0.212	C	C	.	.	S	Bend	trans	-151.4	173.8	-176.8	-152.7	-2.1	0	0	0	111.8	V179 W187 Q208 R247	V179-D181 HydrophobicContact CG1-CB 4.09Å; D181-W187 PolarHBondContact OD2-NE1 3.46Å; D181-Q208 WeakPolarHBondContact O-CG 3.42Å; D181-R247 HydrophobicContact CB-CB 3.66Å; D181-R247 HydrophobicContact CB-CG 4.33Å; D181-R247 WeakPolarHBondContact OD1-CB 3.27Å; D181-R247 VanDerWaalsContact OD2-CB 3.24Å; D181-R247 WeakPolarHBondContact OD2-CB 3.26Å; D181-R247 IonicContact OD2-NE 3.58Å
182	D	90.3	Very high	93.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.			trans	-60.2	165.9	168	72.4	58.5	0	0	0	113.1	Y118 S120 Q184 T185 Q206	Y118-D182 WeakPolarHBondContact O-CB 3.23Å; S120-D182 WeakPolarHBondContact CB-OD2 3.47Å; S120-D182 PolarHBondContact N-OD2 3.4Å; S120-D182 PolarHBondContact OG-OD2 2.92Å; D182-Q184 HydrophobicContact CB-CG 4.5Å; D182-Q184 VanDerWaalsContact OD1-CA 3.31Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.41Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.44Å; D182-Q184 PolarHBondContact OD1-N 3.25Å; D182-T185 PolarHBondContact OD1-N 3.29Å; D182-T185 VanDerWaalsContact OD1-N 3.16Å; D182-Q206 PolarHBondContact O-NE2 3.25Å
183	T	90.4	Very high	94.6	Very high	103 Å²	103	41.3 Å²	41.3	63%	0.632	22%	0.217	S	C	*	.	S	Bend	trans	-91.5	6.4	177.1	63.3	0	0	0	0	113.9
184	Q	90.9	Very high	94.9	Very high	69 Å²	69	40 Å²	40	32%	0.322	21%	0.21	S	C	.	.	S	Bend	trans	-82	-28.5	179.4	-45.3	-170.5	19.1	0	0	111.3	Y118 D182	Y118-Q184 PolarHBondContact O-NE2 3.09Å; D182-Q184 HydrophobicContact CB-CG 4.5Å; D182-Q184 VanDerWaalsContact OD1-CA 3.31Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.41Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.44Å; D182-Q184 PolarHBondContact OD1-N 3.25Å
185	T	94	Very high	95	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-102.5	106.5	170.5	-64.5	0	0	0	0	110.8	S120 D182 W187 Y190 Q206 R462	S120-T185 VanDerWaalsContact CB-OG1 3.24Å; S120-T185 WeakPolarHBondContact CB-OG1 3.34Å; S120-T185 PolarHBondContact O-OG1 3.44Å; D182-T185 PolarHBondContact OD1-N 3.29Å; D182-T185 VanDerWaalsContact OD1-N 3.16Å; T185-W187 HydrophobicContact CG2-CD2 4.2Å; T185-W187 HydrophobicContact CG2-CG 4.25Å; T185-W187 HydrophobicContact CG2-CZ2 4.32Å; T185-W187 PolarHBondContact O-N 2.75Å; T185-W187 VanDerWaalsContact O-N 3.14Å; T185-Y190 HydrophobicContact CG2-CE2 3.86Å; T185-Q206 PolarHBondContact O-NE2 3.14Å; T185-Q206 PolarHBondContact O-OE1 2.96Å; T185-R462 PolarHBondContact OG1-NE 3.31Å; T185-R462 PolarHBondContact OG1-NH2 2.95Å
186	D	96.3	Very high	94.7	Very high	66 Å²	66	40.3 Å²	40.3	35%	0.353	21%	0.211	S	C	.	.			trans	-63.6	111.6	161.9	169.2	33	0	0	0	108.9	C188 K189 Y190	D186-C188 WeakPolarHBondContact OD1-CA 3.22Å; D186-C188 WeakPolarHBondContact OD1-CB 3.38Å; D186-C188 PolarHBondContact OD1-N 2.81Å; D186-C188 PolarHBondContact OD1-SG 2.73Å; D186-K189 HydrophobicContact CB-CD 4.41Å; D186-K189 VanDerWaalsContact O-CE 3.28Å; D186-K189 WeakPolarHBondContact O-CE 3.27Å; D186-K189 WeakPolarHBondContact O-CG 3.28Å; D186-K189 PolarHBondContact OD2-N 2.69Å; D186-Y190 WeakPolarHBondContact O-CE2 3.5Å
187	W	97.8	Very high	94.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-81.2	-20.8	175.3	-77.7	92.2	0	0	0	113.1	V179 D181 T185 K189 Y190 F191 V204 L245 R247 R462 I465	V179-W187 HydrophobicContact CB-CB 4.45Å; V179-W187 HydrophobicContact CB-CG 4.45Å; V179-W187 HydrophobicContact CG1-CB 4.26Å; V179-W187 HydrophobicContact CG1-CD2 4.18Å; V179-W187 HydrophobicContact CG1-CG 3.75Å; V179-W187 HydrophobicContact CG2-CB 4.12Å; V179-W187 HydrophobicContact CG2-CG 4.41Å; D181-W187 PolarHBondContact OD2-NE1 3.46Å; T185-W187 HydrophobicContact CG2-CD2 4.2Å; T185-W187 HydrophobicContact CG2-CG 4.25Å; T185-W187 HydrophobicContact CG2-CZ2 4.32Å; T185-W187 PolarHBondContact O-N 2.75Å; T185-W187 VanDerWaalsContact O-N 3.14Å; W187-K189 PolarHBondContact O-N 2.89Å; W187-Y190 HydrophobicContact CD2-CD2 4.28Å; W187-Y190 HydrophobicContact CD2-CE2 4.41Å; W187-Y190 AromaticContact CE3-CD2 3.71Å; W187-Y190 HydrophobicContact CE3-CD2 3.71Å; W187-Y190 HydrophobicContact CE3-CE2 4.14Å; W187-Y190 HydrophobicContact CZ3-CD2 4.24Å; W187-Y190 PolarHBondContact O-N 3.11Å; W187-Y190 VanDerWaalsContact O-N 3.14Å; W187-F191 HydrophobicContact CE3-CE2 4.26Å; W187-F191 WeakPolarHBondContact O-CD2 3.21Å; W187-V204 HydrophobicContact CB-CG1 4.48Å; W187-L245 HydrophobicContact CD2-CD2 4.35Å; W187-L245 HydrophobicContact CE3-CD2 4.06Å; W187-L245 HydrophobicContact CH2-CD2 4.25Å; W187-L245 HydrophobicContact CZ3-CD2 4.02Å; W187-R247 HydrophobicContact CH2-CG 4.49Å; W187-R247 HydrophobicContact CZ2-CG 3.8Å; W187-R462 HydrophobicContact CH2-CB 4.06Å; W187-R462 HydrophobicContact CH2-CG 4.02Å; W187-R462 HydrophobicContact CZ2-CG 4.37Å; W187-R462 HydrophobicContact CZ3-CB 4.16Å; W187-I465 HydrophobicContact CH2-CB 4.14Å; W187-I465 HydrophobicContact CH2-CD1 4.22Å; W187-I465 HydrophobicContact CH2-CG2 3.75Å; W187-I465 HydrophobicContact CZ3-CB 4.19Å; W187-I465 HydrophobicContact CZ3-CG2 3.78Å
188	C	96.3	Very high	93.3	Very high	48 Å²	48	44.2 Å²	44.2	32%	0.324	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-31.2	-177.4	-49.5	0	0	0	0	111.8	D186 Y190 F191 R192 V204	D186-C188 WeakPolarHBondContact OD1-CA 3.22Å; D186-C188 WeakPolarHBondContact OD1-CB 3.38Å; D186-C188 PolarHBondContact OD1-N 2.81Å; D186-C188 PolarHBondContact OD1-SG 2.73Å; C188-Y190 PolarHBondContact O-N 3.26Å; C188-F191 PolarHBondContact O-N 2.84Å; C188-R192 PolarHBondContact O-N 2.83Å; C188-R192 VanDerWaalsContact O-N 3.08Å; C188-V204 HydrophobicContact CB-CB 4.39Å
189	K	96.6	Very high	92.9	Very high	80 Å²	80	47.8 Å²	47.8	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-30.7	177.3	73.3	-164.7	171.9	112.3	0	114.6	D186 W187 E459	D186-K189 HydrophobicContact CB-CD 4.41Å; D186-K189 VanDerWaalsContact O-CE 3.28Å; D186-K189 WeakPolarHBondContact O-CE 3.27Å; D186-K189 WeakPolarHBondContact O-CG 3.28Å; D186-K189 PolarHBondContact OD2-N 2.69Å; W187-K189 PolarHBondContact O-N 2.89Å; K189-E459 IonicContact NZ-OE1 3.64Å; K189-E459 PolarHBondContact NZ-OE1 3.33Å; K189-E459 IonicContact NZ-OE2 3.53Å; K189-E459 PolarHBondContact NZ-OE2 3.03Å
190	Y	97.1	Very high	92.5	Very high	18 Å²	18	50.6 Å²	50.6	7%	0.071	28%	0.276	C	S	.	.	H	α-helix	trans	-81.5	-20.2	-179.2	-49.6	-75.7	0	0	0	113.7	T185 D186 W187 C188 K194 E459 R462 A466	T185-Y190 HydrophobicContact CG2-CE2 3.86Å; D186-Y190 WeakPolarHBondContact O-CE2 3.5Å; W187-Y190 HydrophobicContact CD2-CD2 4.28Å; W187-Y190 HydrophobicContact CD2-CE2 4.41Å; W187-Y190 AromaticContact CE3-CD2 3.71Å; W187-Y190 HydrophobicContact CE3-CD2 3.71Å; W187-Y190 HydrophobicContact CE3-CE2 4.14Å; W187-Y190 HydrophobicContact CZ3-CD2 4.24Å; W187-Y190 PolarHBondContact O-N 3.11Å; W187-Y190 VanDerWaalsContact O-N 3.14Å; C188-Y190 PolarHBondContact O-N 3.26Å; Y190-K194 VanDerWaalsContact O-CE 3.27Å; Y190-K194 WeakPolarHBondContact O-CE 3.06Å; Y190-E459 WeakPolarHBondContact CE1-OE1 3.44Å; Y190-E459 PolarHBondContact OH-OE1 2.81Å; Y190-E459 PolarHBondContact OH-OE2 2.89Å; Y190-R462 HydrophobicContact CD1-CB 4.32Å; Y190-R462 HydrophobicContact CD2-CB 4.42Å; Y190-R462 HydrophobicContact CE1-CB 3.78Å; Y190-R462 HydrophobicContact CE2-CB 3.9Å; Y190-R462 HydrophobicContact CE2-CG 4.48Å; Y190-R462 WeakPolarHBondContact OH-CD 3.45Å; Y190-A466 HydrophobicContact CG-CB 4.45Å
191	F	96.3	Very high	92.2	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.022	30%	0.299	C	S	.	.	H	α-helix	trans	-99.8	-11.8	176.3	-63.2	-80.4	0	0	0	113	L177 W187 C188 G193 K194 I202 V204 A466 V469 M470	L177-F191 HydrophobicContact CD2-CD1 4.07Å; L177-F191 HydrophobicContact CD2-CD2 3.95Å; L177-F191 HydrophobicContact CD2-CE1 3.63Å; L177-F191 HydrophobicContact CD2-CE2 3.51Å; L177-F191 HydrophobicContact CD2-CG 4.22Å; L177-F191 HydrophobicContact CD2-CZ 3.33Å; W187-F191 HydrophobicContact CE3-CE2 4.26Å; W187-F191 WeakPolarHBondContact O-CD2 3.21Å; C188-F191 PolarHBondContact O-N 2.84Å; F191-G193 PolarHBondContact O-N 2.86Å; F191-K194 WeakPolarHBondContact O-CB 3.47Å; F191-K194 PolarHBondContact O-N 2.92Å; F191-I202 HydrophobicContact CD1-CD1 4.39Å; F191-V204 HydrophobicContact CB-CG2 3.71Å; F191-V204 HydrophobicContact CD2-CG2 3.73Å; F191-V204 HydrophobicContact CG-CG2 3.92Å; F191-A466 HydrophobicContact CD1-CB 4.41Å; F191-A466 HydrophobicContact CE1-CB 3.88Å; F191-A466 WeakPolarHBondContact CE1-O 3.49Å; F191-A466 HydrophobicContact CE2-CB 3.99Å; F191-A466 HydrophobicContact CZ-CB 3.65Å; F191-V469 HydrophobicContact CE1-CB 4Å; F191-V469 HydrophobicContact CE1-CG1 3.83Å; F191-V469 HydrophobicContact CZ-CB 3.99Å; F191-V469 HydrophobicContact CZ-CG1 3.92Å; F191-V469 HydrophobicContact CZ-CG2 4.49Å; F191-M470 HydrophobicContact CD1-CG 4.44Å; F191-M470 HydrophobicContact CD1-SD 4.01Å; F191-M470 HydrophobicContact CE1-CG 4.45Å; F191-M470 HydrophobicContact CE1-SD 4.44Å
192	R	93.3	Very high	92.1	Very high	193 Å²	193	56.7 Å²	56.7	73%	0.728	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	121.6	-178.7	-173.4	179.2	-61.9	-175.6	3.8	111.5	C188 K194	C188-R192 PolarHBondContact O-N 2.83Å; C188-R192 VanDerWaalsContact O-N 3.08Å; R192-K194 PolarHBondContact O-N 2.83Å
193	G	90.9	Very high	92.4	Very high	76 Å²	76	60.5 Å²	60.5	78%	0.784	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-6.5	179.6	0	0	0	0	0	115	F191	F191-G193 PolarHBondContact O-N 2.86Å
194	K	92.5	Very high	92.7	Very high	53 Å²	53	56.6 Å²	56.6	23%	0.23	30%	0.297	C	S	.	.			trans	-73.1	145.9	168.2	-58.5	-159.1	-179.1	-173.3	0	109.9	Y190 F191 R192 E467 M470	Y190-K194 VanDerWaalsContact O-CE 3.27Å; Y190-K194 WeakPolarHBondContact O-CE 3.06Å; F191-K194 WeakPolarHBondContact O-CB 3.47Å; F191-K194 PolarHBondContact O-N 2.92Å; R192-K194 PolarHBondContact O-N 2.83Å; K194-E467 IonicContact NZ-OE2 2.69Å; K194-E467 PolarHBondContact NZ-OE2 2.9Å; K194-M470 HydrophobicContact CB-CE 3.84Å; K194-M470 HydrophobicContact CB-SD 3.66Å; K194-M470 HydrophobicContact CD-CE 4.45Å; K194-M470 HydrophobicContact CD-CG 3.5Å; K194-M470 HydrophobicContact CD-SD 3.71Å; K194-M470 HydrophobicContact CG-SD 4.34Å
195	K	91.3	Very high	93	Very high	101 Å²	101	53.9 Å²	53.9	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149	-179	-73.3	175.5	168.3	-96.4	0	111.1	G198 D199 W200 M470	K195-G198 WeakPolarHBondContact CB-O 3.44Å; K195-G198 WeakPolarHBondContact CD-O 3.3Å; K195-D199 PolarHBondContact NZ-O 3.32Å; K195-W200 CarbonylContact C-O 3.58Å; K195-W200 WeakPolarHBondContact CA-O 3.16Å; K195-W200 WeakPolarHBondContact CB-O 3.46Å; K195-M470 VanDerWaalsContact O-CE 3.29Å; K195-M470 WeakPolarHBondContact O-CE 3.31Å
196	L	89.1	Confident	93.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	147.8	172	-69.8	168.9	0	0	0	110	K175 G198 D199 W200 I202 M470 M473 Q474	K175-L196 HydrophobicContact CB-CD1 3.94Å; K175-L196 HydrophobicContact CG-CD1 3.91Å; L196-G198 PolarHBondContact O-N 2.99Å; L196-D199 PolarHBondContact O-N 3.41Å; L196-W200 HydrophobicContact CB-CB 4.23Å; L196-W200 PolarHBondContact N-O 3.4Å; L196-W200 WeakPolarHBondContact O-CB 3.49Å; L196-W200 PolarHBondContact O-N 2.84Å; L196-I202 HydrophobicContact CD1-CD1 3.76Å; L196-I202 HydrophobicContact CD1-CG1 3.73Å; L196-I202 HydrophobicContact CD2-CD1 4.44Å; L196-I202 HydrophobicContact CG-CD1 3.89Å; L196-I202 HydrophobicContact CG-CG1 4Å; L196-M470 HydrophobicContact CD2-CE 3.7Å; L196-M470 HydrophobicContact CG-CE 4.06Å; L196-M473 HydrophobicContact CD1-CB 4.06Å; L196-M473 HydrophobicContact CD1-CE 3.8Å; L196-M473 HydrophobicContact CD1-SD 4.39Å; L196-M473 HydrophobicContact CD2-CB 3.97Å; L196-Q474 HydrophobicContact CD2-CB 3.89Å
197	M	82.8	Confident	93.1	Very high	48 Å²	48	52.4 Å²	52.4	24%	0.236	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	17	175.4	-59.5	-179.6	-74.2	0	0	115.7	W200 T477 Y478	M197-W200 HydrophobicContact CE-CD2 3.48Å; M197-W200 VanDerWaalsContact CE-CD2 3.48Å; M197-W200 VanDerWaalsContact CE-CE2 3.46Å; M197-W200 HydrophobicContact CE-CE3 3.94Å; M197-W200 HydrophobicContact CE-CG 3.81Å; M197-W200 HydrophobicContact CE-CH2 4.31Å; M197-W200 HydrophobicContact CE-CZ2 3.89Å; M197-W200 HydrophobicContact CE-CZ3 4.34Å; M197-T477 HydrophobicContact CE-CG2 4.09Å; M197-T477 VanDerWaalsContact SD-CB 3.57Å; M197-T477 HydrophobicContact SD-CG2 4.42Å; M197-Y478 HydrophobicContact CB-CE1 4.43Å; M197-Y478 HydrophobicContact CG-CD1 4.4Å; M197-Y478 HydrophobicContact CG-CE1 3.92Å
198	G	82.5	Confident	93	Very high	61 Å²	61	53.4 Å²	53.4	63%	0.629	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.8	-64.3	-176	0	0	0	0	0	112.1	K195 L196	K195-G198 WeakPolarHBondContact CB-O 3.44Å; K195-G198 WeakPolarHBondContact CD-O 3.3Å; L196-G198 PolarHBondContact O-N 2.99Å
199	D	88.4	Confident	92.9	Very high	76 Å²	76	51.1 Å²	51.1	41%	0.406	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-21.5	-168.7	69.5	-51	0	0	0	115.6	H173 K195 L196	H173-D199 IonicContact CE1-OD2 2.64Å; H173-D199 PolarHBondContact CE1-OD2 3.29Å; H173-D199 IonicContact CG-OD2 2.71Å; H173-D199 IonicContact ND1-OD2 3.45Å; H173-D199 PolarHBondContact ND1-OD2 2.91Å; K195-D199 PolarHBondContact NZ-O 3.32Å; L196-D199 PolarHBondContact O-N 3.41Å
200	W	90.7	Very high	92.8	Very high	60 Å²	60	47.8 Å²	47.8	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.6	-172.7	-68	50.5	0	0	0	112.3	E172 H173 K175 K195 L196 M197	E172-W200 WeakPolarHBondContact O-CH2 3.39Å; E172-W200 WeakPolarHBondContact O-CZ3 3.38Å; H173-W200 HydrophobicContact CB-CD2 4.41Å; H173-W200 HydrophobicContact CB-CG 4.33Å; H173-W200 AromaticContact ND1-NE1 3.94Å; H173-W200 CarbonylContact O-C 3.55Å; H173-W200 VanDerWaalsContact O-CA 3.27Å; H173-W200 WeakPolarHBondContact O-CA 3.5Å; K175-W200 HydrophobicContact CD-CE3 4.14Å; K175-W200 HydrophobicContact CD-CZ3 4.06Å; K175-W200 HydrophobicContact CG-CE3 3.9Å; K175-W200 HydrophobicContact CG-CZ3 4.33Å; K195-W200 CarbonylContact C-O 3.58Å; K195-W200 WeakPolarHBondContact CA-O 3.16Å; K195-W200 WeakPolarHBondContact CB-O 3.46Å; L196-W200 HydrophobicContact CB-CB 4.23Å; L196-W200 PolarHBondContact N-O 3.4Å; L196-W200 WeakPolarHBondContact O-CB 3.49Å; L196-W200 PolarHBondContact O-N 2.84Å; M197-W200 HydrophobicContact CE-CD2 3.48Å; M197-W200 VanDerWaalsContact CE-CD2 3.48Å; M197-W200 VanDerWaalsContact CE-CE2 3.46Å; M197-W200 HydrophobicContact CE-CE3 3.94Å; M197-W200 HydrophobicContact CE-CG 3.81Å; M197-W200 HydrophobicContact CE-CH2 4.31Å; M197-W200 HydrophobicContact CE-CZ2 3.89Å; M197-W200 HydrophobicContact CE-CZ3 4.34Å
201	E	92.2	Very high	92.6	Very high	107 Å²	107	49.3 Å²	49.3	50%	0.5	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	146.5	178.4	-60.7	-169.6	156	0	0	112.3	H173 Q174 K175	H173-E201 PolarHBondContact O-N 2.97Å; Q174-E201 CarbonylContact C-O 3.55Å; Q174-E201 WeakPolarHBondContact CA-O 3.44Å; K175-E201 PolarHBondContact N-O 2.86Å
202	I	94.4	Very high	92.5	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121	166.6	-61.3	-174.8	0	0	0	109.7	K175 L177 F191 L196 V204 M470 M473	K175-I202 CarbonylContact O-C 3.59Å; K175-I202 WeakPolarHBondContact O-CA 3.34Å; L177-I202 HydrophobicContact CB-CG2 3.81Å; L177-I202 HydrophobicContact CD2-CG2 4.5Å; F191-I202 HydrophobicContact CD1-CD1 4.39Å; L196-I202 HydrophobicContact CD1-CD1 3.76Å; L196-I202 HydrophobicContact CD1-CG1 3.73Å; L196-I202 HydrophobicContact CD2-CD1 4.44Å; L196-I202 HydrophobicContact CG-CD1 3.89Å; L196-I202 HydrophobicContact CG-CG1 4Å; I202-V204 HydrophobicContact CG2-CG2 4.13Å; I202-M470 HydrophobicContact CD1-CE 3.94Å; I202-M470 HydrophobicContact CD1-SD 3.3Å; I202-M470 WeakPolarHBondContact CD1-SD 3.4Å; I202-M473 HydrophobicContact CD1-CE 4.3Å; I202-M473 HydrophobicContact CD1-SD 4Å
203	K	95.7	Very high	92.6	Very high	80 Å²	80	42.4 Å²	42.4	35%	0.348	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.5	164.3	-165.7	-165.7	-169.4	-160.6	0	108.8	Q174 K175 I176 L177 E205	Q174-K203 HydrophobicContact CG-CB 4.04Å; K175-K203 PolarHBondContact O-N 3.07Å; I176-K203 WeakPolarHBondContact CA-O 3.49Å; I176-K203 HydrophobicContact CG1-CB 4.39Å; I176-K203 HydrophobicContact CG1-CD 4.47Å; L177-K203 PolarHBondContact N-O 3.43Å; K203-E205 HydrophobicContact CD-CG 4.45Å; K203-E205 WeakPolarHBondContact CE-OE1 3.45Å; K203-E205 IonicContact NZ-OE1 2.8Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å
204	V	97.2	Very high	92.9	Very high	21 Å²	21	40.4 Å²	40.4	13%	0.127	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.5	172.3	-176.6	0	0	0	0	109.2	L177 V179 W187 C188 F191 I202	L177-V204 HydrophobicContact CD2-CG2 4.46Å; L177-V204 WeakPolarHBondContact O-CA 3.43Å; V179-V204 HydrophobicContact CG2-CG1 3.95Å; W187-V204 HydrophobicContact CB-CG1 4.48Å; C188-V204 HydrophobicContact CB-CB 4.39Å; F191-V204 HydrophobicContact CB-CG2 3.71Å; F191-V204 HydrophobicContact CD2-CG2 3.73Å; F191-V204 HydrophobicContact CG-CG2 3.92Å; I202-V204 HydrophobicContact CG2-CG2 4.13Å
205	E	97.2	Very high	93.1	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124	170.6	-66.3	-74.4	-162	0	0	108.1	I176 L177 L178 V179 K203 K237 F239	I176-E205 HydrophobicContact CG2-CB 4.46Å; I176-E205 HydrophobicContact CG2-CG 3.78Å; L177-E205 PolarHBondContact O-N 3.23Å; L178-E205 CarbonylContact C-O 3.58Å; L178-E205 VanDerWaalsContact CA-O 3.31Å; L178-E205 WeakPolarHBondContact CA-O 3.38Å; V179-E205 PolarHBondContact N-O 2.92Å; K203-E205 HydrophobicContact CD-CG 4.45Å; K203-E205 WeakPolarHBondContact CE-OE1 3.45Å; K203-E205 IonicContact NZ-OE1 2.8Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å; E205-K237 VanDerWaalsContact OE2-CD 3.28Å; E205-K237 WeakPolarHBondContact OE2-CD 3.48Å; E205-K237 WeakPolarHBondContact OE2-CE 3.37Å; E205-K237 IonicContact OE2-NZ 2.68Å; E205-K237 PolarHBondContact OE2-NZ 2.75Å; E205-F239 HydrophobicContact CB-CE1 4.15Å; E205-F239 HydrophobicContact CB-CE2 3.98Å; E205-F239 HydrophobicContact CB-CZ 3.66Å; E205-F239 HydrophobicContact CG-CD1 4.3Å; E205-F239 HydrophobicContact CG-CD2 4.33Å; E205-F239 HydrophobicContact CG-CE1 4.06Å; E205-F239 HydrophobicContact CG-CE2 4.07Å; E205-F239 HydrophobicContact CG-CG 4.45Å; E205-F239 HydrophobicContact CG-CZ 3.94Å
206	Q	97	Very high	93.4	Very high	36 Å²	36	37.8 Å²	37.8	17%	0.168	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.3	-176.8	-173.7	173.5	-20.6	0	0	111.1	V179 D182 T185	V179-Q206 HydrophobicContact CB-CG 4.41Å; V179-Q206 WeakPolarHBondContact O-CA 3.35Å; D182-Q206 PolarHBondContact O-NE2 3.25Å; T185-Q206 PolarHBondContact O-NE2 3.14Å; T185-Q206 PolarHBondContact O-OE1 2.96Å
207	A	96.4	Very high	93.7	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	159.1	172	0	0	0	0	0	111.2	V179 I180 E211 I212 I226	V179-A207 PolarHBondContact O-N 2.92Å; I180-A207 WeakPolarHBondContact CA-O 3.31Å; A207-E211 WeakPolarHBondContact CA-OE2 3.41Å; A207-E211 HydrophobicContact CB-CB 4.24Å; A207-E211 WeakPolarHBondContact CB-OE2 3.36Å; A207-I212 HydrophobicContact CB-CD1 4.24Å; A207-I212 HydrophobicContact CB-CG1 4.03Å; A207-I226 HydrophobicContact CB-CB 4.42Å; A207-I226 HydrophobicContact CB-CD1 3.44Å; A207-I226 VanDerWaalsContact CB-CD1 3.44Å; A207-I226 HydrophobicContact CB-CG1 3.65Å; A207-I226 HydrophobicContact CB-CG2 3.88Å
208	Q	94.8	Very high	94.2	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.103	25%	0.254	C	S	.	.			trans	-77.3	156.5	171	-63.4	175.6	97.7	0	0	111.1	D181 S210 E211 I212	D181-Q208 WeakPolarHBondContact O-CG 3.42Å; Q208-S210 PolarHBondContact O-N 3.06Å; Q208-S210 VanDerWaalsContact O-N 3.11Å; Q208-E211 HydrophobicContact CB-CG 4.38Å; Q208-E211 PolarHBondContact N-OE2 3.45Å; Q208-E211 PolarHBondContact NE2-OE1 3.33Å; Q208-E211 PolarHBondContact O-N 2.95Å; Q208-I212 PolarHBondContact O-N 3.4Å
209	F	95.1	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-50.8	-39.1	174.9	-85.1	-61.8	0	0	0	112.8	I180 E211 I212 V246 Q248 P250 W257 I260 L261	I180-F209 HydrophobicContact CD1-CD1 4.05Å; I180-F209 HydrophobicContact CD1-CE1 3.63Å; I180-F209 HydrophobicContact CD1-CZ 4.15Å; I180-F209 HydrophobicContact CG2-CB 4.35Å; I180-F209 HydrophobicContact CG2-CD1 3.82Å; I180-F209 HydrophobicContact CG2-CD2 3.67Å; I180-F209 HydrophobicContact CG2-CE1 3.97Å; I180-F209 HydrophobicContact CG2-CE2 3.81Å; I180-F209 HydrophobicContact CG2-CG 3.65Å; I180-F209 HydrophobicContact CG2-CZ 3.95Å; F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 PolarHBondContact O-N 3.42Å; F209-I212 PolarHBondContact O-N 3.17Å; F209-V246 HydrophobicContact CE2-CG1 4.05Å; F209-V246 HydrophobicContact CZ-CG1 3.88Å; F209-V246 HydrophobicContact CZ-CG2 4.5Å; F209-Q248 HydrophobicContact CD2-CB 3.9Å; F209-Q248 HydrophobicContact CD2-CG 3.98Å; F209-Q248 HydrophobicContact CE2-CB 4.08Å; F209-P250 HydrophobicContact CE2-CB 3.96Å; F209-P250 HydrophobicContact CZ-CB 3.97Å; F209-W257 HydrophobicContact CB-CB 3.95Å; F209-W257 HydrophobicContact CB-CD2 3.41Å; F209-W257 VanDerWaalsContact CB-CD2 3.41Å; F209-W257 HydrophobicContact CB-CE3 3.75Å; F209-W257 HydrophobicContact CB-CG 3.5Å; F209-W257 VanDerWaalsContact CB-CG 3.5Å; F209-W257 HydrophobicContact CD1-CB 3.86Å; F209-W257 HydrophobicContact CD1-CG 4.37Å; F209-W257 HydrophobicContact CD2-CD2 4.33Å; F209-W257 AromaticContact CD2-CE3 3.84Å; F209-W257 HydrophobicContact CD2-CE3 3.84Å; F209-W257 HydrophobicContact CG-CB 3.89Å; F209-W257 HydrophobicContact CG-CD2 4.01Å; F209-W257 HydrophobicContact CG-CE3 4.01Å; F209-W257 AromaticContact CG-CG 3.98Å; F209-W257 HydrophobicContact CG-CG 3.98Å; F209-I260 HydrophobicContact CD1-CB 4.26Å; F209-I260 HydrophobicContact CD1-CD1 4.1Å; F209-I260 HydrophobicContact CD1-CG2 3.88Å; F209-I260 HydrophobicContact CE1-CB 4.36Å; F209-I260 HydrophobicContact CE1-CG2 3.82Å; F209-I260 WeakPolarHBondContact O-CD1 3.39Å; F209-L261 HydrophobicContact CE1-CD2 4.25Å; F209-L261 HydrophobicContact CZ-CD2 4.08Å
210	S	92.9	Very high	94.7	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-71.7	-15.1	-177.1	74.1	0	0	0	0	115	R115 Q208 R232 E255	R115-S210 PolarHBondContact NH1-OG 2.82Å; Q208-S210 PolarHBondContact O-N 3.06Å; Q208-S210 VanDerWaalsContact O-N 3.11Å; S210-R232 PolarHBondContact O-NH2 3.29Å; S210-E255 WeakPolarHBondContact CB-OE2 3.47Å
211	E	94.2	Very high	94.8	Very high	51 Å²	51	49.3 Å²	49.3	24%	0.238	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-93.5	-19.7	177.1	-65.8	156.7	-171.9	0	0	111.6	A207 Q208 F209 Y227	A207-E211 WeakPolarHBondContact CA-OE2 3.41Å; A207-E211 HydrophobicContact CB-CB 4.24Å; A207-E211 WeakPolarHBondContact CB-OE2 3.36Å; Q208-E211 HydrophobicContact CB-CG 4.38Å; Q208-E211 PolarHBondContact N-OE2 3.45Å; Q208-E211 PolarHBondContact NE2-OE1 3.33Å; Q208-E211 PolarHBondContact O-N 2.95Å; F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 PolarHBondContact O-N 3.42Å; E211-Y227 PolarHBondContact O-N 3.09Å
212	I	94.9	Very high	95	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	150.7	-176.4	-70.4	165.2	0	0	0	110.9	L178 I180 A207 Q208 F209 V224 S225 I226 R232 I260	L178-I212 HydrophobicContact CD1-CD1 4.32Å; L178-I212 HydrophobicContact CD2-CD1 4.48Å; I180-I212 HydrophobicContact CD1-CD1 3.99Å; I180-I212 HydrophobicContact CG1-CD1 3.99Å; I180-I212 HydrophobicContact CG2-CD1 4.41Å; A207-I212 HydrophobicContact CB-CD1 4.24Å; A207-I212 HydrophobicContact CB-CG1 4.03Å; Q208-I212 PolarHBondContact O-N 3.4Å; F209-I212 PolarHBondContact O-N 3.17Å; I212-V224 HydrophobicContact CG2-CG1 4.07Å; I212-S225 CarbonylContact C-O 3.58Å; I212-I226 HydrophobicContact CG1-CG1 4Å; I212-R232 PolarHBondContact O-NH1 3.16Å; I212-R232 PolarHBondContact O-NH2 2.93Å; I212-I260 HydrophobicContact CB-CD1 4.21Å; I212-I260 HydrophobicContact CG2-CD1 3.99Å
213	S	94.9	Very high	95.1	Very high	51 Å²	51	45 Å²	45	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163	151.2	-171.9	0	0	0	0	108.5	S225	S213-S225 PolarHBondContact N-O 2.92Å; S213-S225 PolarHBondContact O-N 2.84Å
214	L	95.8	Very high	95.2	Very high	33 Å²	33	41.2 Å²	41.2	17%	0.173	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.3	178.6	71.9	84.8	0	0	0	113.1	A216 V223 V224 I260 L264	L214-A216 HydrophobicContact CD1-CB 4.18Å; L214-V223 CarbonylContact C-O 3.57Å; L214-V223 VanDerWaalsContact CA-O 3.23Å; L214-V223 WeakPolarHBondContact CA-O 3.35Å; L214-V224 HydrophobicContact CB-CG2 4.34Å; L214-I260 HydrophobicContact CD2-CB 4.28Å; L214-I260 HydrophobicContact CD2-CG1 4.45Å; L214-I260 HydrophobicContact CD2-CG2 4.02Å; L214-I260 WeakPolarHBondContact CD2-O 3.45Å; L214-L264 HydrophobicContact CD2-CG 4.21Å
215	T	97	Very high	95.2	Very high	75 Å²	75	41.1 Å²	41.1	46%	0.46	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.5	161.6	-51.6	0	0	0	0	108.4	Y217 V223	T215-Y217 HydrophobicContact CG2-CE1 4.2Å; T215-Y217 HydrophobicContact CG2-CE2 3.79Å; T215-V223 PolarHBondContact N-O 3.46Å; T215-V223 PolarHBondContact O-N 2.98Å
216	A	97.6	Very high	95.2	Very high	25 Å²	25	40.9 Å²	40.9	21%	0.207	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.9	179.6	0	0	0	0	0	110.6	L214 G263 Y266	L214-A216 HydrophobicContact CD1-CB 4.18Å; A216-G263 VanDerWaalsContact CB-O 3.3Å; A216-G263 WeakPolarHBondContact CB-O 3.42Å; A216-Y266 HydrophobicContact CB-CD1 3.84Å; A216-Y266 HydrophobicContact CB-CG 4.48Å
217	Y	96.1	Very high	95	Very high	112 Å²	112	41 Å²	41	44%	0.439	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.3	-179.7	-56.3	-92.2	0	0	0	109	T215 E219 G221 V223	T215-Y217 HydrophobicContact CG2-CE1 4.2Å; T215-Y217 HydrophobicContact CG2-CE2 3.79Å; Y217-E219 VanDerWaalsContact C-N 3.26Å; Y217-E219 PolarHBondContact O-N 3.19Å; Y217-G221 PolarHBondContact N-O 3.35Å; Y217-G221 PolarHBondContact O-N 3.07Å; Y217-G221 VanDerWaalsContact O-N 3.1Å; Y217-V223 HydrophobicContact CD2-CG2 4.39Å; Y217-V223 HydrophobicContact CE2-CB 4.5Å; Y217-V223 HydrophobicContact CE2-CG2 3.97Å
218	S	92.5	Very high	94.4	Very high	99 Å²	99	45.5 Å²	45.5	69%	0.692	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	-171.5	49.2	0	0	0	0	114.8
219	E	90.9	Very high	93.6	Very high	164 Å²	164	47 Å²	47	77%	0.766	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-34.6	179.4	-54.5	170.2	151.8	0	0	111.9	Y217	Y217-E219 VanDerWaalsContact C-N 3.26Å; Y217-E219 PolarHBondContact O-N 3.19Å
220	Q	91.1	Very high	92.6	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.6	-172.7	-59	75	18	0	0	113.2	K240	Q220-K240 WeakPolarHBondContact O-CE 3.4Å; Q220-K240 PolarHBondContact O-NZ 2.79Å
221	G	93.6	Very high	91.8	Very high	20 Å²	20	60 Å²	60	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-161	176.6	0	0	0	0	0	114	Y217 G267	Y217-G221 PolarHBondContact N-O 3.35Å; Y217-G221 PolarHBondContact O-N 3.07Å; Y217-G221 VanDerWaalsContact O-N 3.1Å; G221-G267 WeakPolarHBondContact CA-O 3.17Å
222	C	95.5	Very high	91.3	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.8	-178.9	-167.4	0	0	0	0	112.5	K240 L264 T269	C222-K240 WeakPolarHBondContact O-CA 3.46Å; C222-K240 WeakPolarHBondContact O-CB 3.37Å; C222-K240 WeakPolarHBondContact O-CG 3.38Å; C222-L264 HydrophobicContact CB-CD2 4.47Å; C222-T269 WeakPolarHBondContact CB-OG1 3.37Å
223	V	97.4	Very high	90.6	Very high	36 Å²	36	66.4 Å²	66.4	22%	0.218	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.6	163.8	179.9	0	0	0	0	108.2	L214 T215 Y217 F239 K240	L214-V223 CarbonylContact C-O 3.57Å; L214-V223 VanDerWaalsContact CA-O 3.23Å; L214-V223 WeakPolarHBondContact CA-O 3.35Å; T215-V223 PolarHBondContact N-O 3.46Å; T215-V223 PolarHBondContact O-N 2.98Å; Y217-V223 HydrophobicContact CD2-CG2 4.39Å; Y217-V223 HydrophobicContact CE2-CB 4.5Å; Y217-V223 HydrophobicContact CE2-CG2 3.97Å; V223-F239 CarbonylContact C-O 3.57Å; V223-F239 WeakPolarHBondContact CA-O 3.12Å; V223-K240 HydrophobicContact CG2-CD 4.49Å; V223-K240 HydrophobicContact CG2-CG 4.06Å
224	V	97.8	Very high	90.3	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.2	176.6	171.6	0	0	0	0	109.4	L178 I212 L214 S238 F239 P241 L264	L178-V224 HydrophobicContact CD2-CG1 4.13Å; L178-V224 HydrophobicContact CD2-CG2 4.15Å; I212-V224 HydrophobicContact CG2-CG1 4.07Å; L214-V224 HydrophobicContact CB-CG2 4.34Å; V224-S238 CarbonylContact O-C 3.48Å; V224-S238 VanDerWaalsContact O-CA 3.25Å; V224-S238 WeakPolarHBondContact O-CA 3.49Å; V224-F239 HydrophobicContact CB-CD2 4.5Å; V224-F239 HydrophobicContact CB-CE2 4.04Å; V224-F239 HydrophobicContact CB-CZ 4.18Å; V224-F239 HydrophobicContact CG1-CE1 4.39Å; V224-F239 HydrophobicContact CG1-CE2 4.08Å; V224-F239 HydrophobicContact CG1-CZ 3.76Å; V224-F239 PolarHBondContact N-O 3.45Å; V224-F239 PolarHBondContact O-N 2.85Å; V224-P241 HydrophobicContact CG2-CG 3.87Å; V224-L264 HydrophobicContact CG2-CD2 4.38Å
225	S	97.2	Very high	90.1	Very high	18 Å²	18	72 Å²	72	13%	0.126	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.5	175.5	-64.2	0	0	0	0	110.3	I212 S213 K237 S238	I212-S225 CarbonylContact C-O 3.58Å; S213-S225 PolarHBondContact N-O 2.92Å; S213-S225 PolarHBondContact O-N 2.84Å; S225-K237 WeakPolarHBondContact CA-O 3.48Å; S225-S238 WeakPolarHBondContact CB-OG 3.38Å; S225-S238 WeakPolarHBondContact OG-CB 3.38Å; S225-S238 PolarHBondContact OG-OG 3.14Å
226	I	96.6	Very high	89.9	Confident	7 Å²	7	74.2 Å²	74.2	4%	0.036	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.7	178.8	-71.3	166.1	0	0	0	109	L178 A207 I212 P235 L236 K237 F239	L178-I226 HydrophobicContact CD1-CD1 4.48Å; A207-I226 HydrophobicContact CB-CB 4.42Å; A207-I226 HydrophobicContact CB-CD1 3.44Å; A207-I226 VanDerWaalsContact CB-CD1 3.44Å; A207-I226 HydrophobicContact CB-CG1 3.65Å; A207-I226 HydrophobicContact CB-CG2 3.88Å; I212-I226 HydrophobicContact CG1-CG1 4Å; I226-P235 CarbonylContact O-C 3.16Å; I226-P235 WeakPolarHBondContact O-CA 3.35Å; I226-L236 PolarHBondContact O-N 3.05Å; I226-K237 HydrophobicContact CB-CG 4.08Å; I226-K237 PolarHBondContact N-O 2.85Å; I226-F239 HydrophobicContact CD1-CE1 3.82Å; I226-F239 HydrophobicContact CD1-CZ 3.79Å; I226-F239 HydrophobicContact CG1-CE1 4.36Å; I226-F239 HydrophobicContact CG1-CZ 4.49Å
227	Y	93.6	Very high	89.7	Confident	40 Å²	40	76 Å²	76	16%	0.157	39%	0.394	C	S	.	.			trans	-110.4	138.2	-179.9	-67.3	-93	0	0	0	110.6	E211 D229 R232 P235	E211-Y227 PolarHBondContact O-N 3.09Å; Y227-D229 VanDerWaalsContact C-N 3.34Å; Y227-R232 VanDerWaalsContact CD1-CA 3.41Å; Y227-R232 HydrophobicContact CD1-CB 3.76Å; Y227-R232 HydrophobicContact CD1-CG 4.11Å; Y227-R232 HydrophobicContact CD2-CG 4.33Å; Y227-R232 HydrophobicContact CE1-CB 3.9Å; Y227-R232 VanDerWaalsContact CE1-O 3.29Å; Y227-R232 WeakPolarHBondContact CE1-O 3.34Å; Y227-R232 HydrophobicContact CG-CB 4.14Å; Y227-R232 HydrophobicContact CG-CG 3.96Å; Y227-P235 HydrophobicContact CD1-CB 4.31Å; Y227-P235 HydrophobicContact CE1-CB 3.92Å; Y227-P235 HydrophobicContact CE1-CG 4.38Å; Y227-P235 VanDerWaalsContact CE1-N 3.34Å; Y227-P235 HydrophobicContact CE2-CB 4.31Å
228	P	82.8	Confident	89.7	Confident	96 Å²	96	73.8 Å²	73.8	62%	0.623	40%	0.395	S	S	*	.	S	Bend	trans	-81.9	-16	177.5	35.3	-34.6	0	0	0	112.6
229	D	77.4	Confident	89.9	Confident	53 Å²	53	70 Å²	70	28%	0.283	37%	0.366	S	S	.	.	S	Bend	trans	-127.8	158	-175.5	64.2	0.1	0	0	0	111.7	Y227 R232 S233	Y227-D229 VanDerWaalsContact C-N 3.34Å; D229-R232 WeakPolarHBondContact OD1-CA 3.45Å; D229-R232 PolarHBondContact OD1-N 3.29Å; D229-S233 PolarHBondContact OD2-OG 3.32Å; D229-S233 VanDerWaalsContact OD2-OG 3.1Å
230	Q	74.1	Confident	90.2	Very high	137 Å²	137	67.1 Å²	67.1	64%	0.64	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.1	171.5	-66.1	-174.1	17.9	0	0	112.7	R232	Q230-R232 PolarHBondContact O-N 3.17Å
231	I	77.7	Confident	90.5	Very high	145 Å²	145	63.3 Å²	63.3	74%	0.744	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.2	177.4	-54.7	174.9	0	0	0	110.4	S233	I231-S233 PolarHBondContact O-N 3.19Å
232	R	82.7	Confident	90.6	Very high	96 Å²	96	65.1 Å²	65.1	36%	0.362	34%	0.339	S	S	.	.			trans	55.4	33.4	176	-62.9	178.9	178.4	-87.9	10	113.2	S210 I212 Y227 D229 Q230 K234	S210-R232 PolarHBondContact O-NH2 3.29Å; I212-R232 PolarHBondContact O-NH1 3.16Å; I212-R232 PolarHBondContact O-NH2 2.93Å; Y227-R232 VanDerWaalsContact CD1-CA 3.41Å; Y227-R232 HydrophobicContact CD1-CB 3.76Å; Y227-R232 HydrophobicContact CD1-CG 4.11Å; Y227-R232 HydrophobicContact CD2-CG 4.33Å; Y227-R232 HydrophobicContact CE1-CB 3.9Å; Y227-R232 VanDerWaalsContact CE1-O 3.29Å; Y227-R232 WeakPolarHBondContact CE1-O 3.34Å; Y227-R232 HydrophobicContact CG-CB 4.14Å; Y227-R232 HydrophobicContact CG-CG 3.96Å; D229-R232 WeakPolarHBondContact OD1-CA 3.45Å; D229-R232 PolarHBondContact OD1-N 3.29Å; Q230-R232 PolarHBondContact O-N 3.17Å; R232-K234 PolarHBondContact O-N 3.5Å
233	S	80.8	Confident	90.7	Very high	91 Å²	91	65.1 Å²	65.1	64%	0.636	34%	0.338	S	S	*	.			trans	-63.5	-41.6	-173.2	57	0	0	0	0	113.1	D229 I231	D229-S233 PolarHBondContact OD2-OG 3.32Å; D229-S233 VanDerWaalsContact OD2-OG 3.1Å; I231-S233 PolarHBondContact O-N 3.19Å
234	K	88.3	Confident	90.7	Very high	158 Å²	158	63.4 Å²	63.4	69%	0.687	33%	0.328	S	S	*	.	S	Bend	trans	-153.4	135.6	175.2	-175.8	179.6	178.3	179.7	0	109.2	R232	R232-K234 PolarHBondContact O-N 3.5Å
235	P	91.5	Very high	90.8	Very high	44 Å²	44	63.3 Å²	63.3	29%	0.286	33%	0.328	S	S	.	.			trans	-67	138.3	174.5	28.3	-34.2	0	0	0	110.5	I226 Y227 K237	I226-P235 CarbonylContact O-C 3.16Å; I226-P235 WeakPolarHBondContact O-CA 3.35Å; Y227-P235 HydrophobicContact CD1-CB 4.31Å; Y227-P235 HydrophobicContact CE1-CB 3.92Å; Y227-P235 HydrophobicContact CE1-CG 4.38Å; Y227-P235 VanDerWaalsContact CE1-N 3.34Å; Y227-P235 HydrophobicContact CE2-CB 4.31Å; P235-K237 PolarHBondContact O-N 3.06Å
236	L	92.2	Very high	90.8	Very high	121 Å²	121	62.6 Å²	62.6	63%	0.634	32%	0.322	S	S	*	.	S	Bend	trans	-62.6	-37.1	170.9	174.1	63.3	0	0	0	110.6	I226	I226-L236 PolarHBondContact O-N 3.05Å
237	K	93.9	Very high	90.9	Very high	63 Å²	63	62.7 Å²	62.7	27%	0.274	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	143.2	-178.2	51.3	-172.4	175.1	176.1	0	110.2	E205 S225 I226 P235 F239	E205-K237 VanDerWaalsContact OE2-CD 3.28Å; E205-K237 WeakPolarHBondContact OE2-CD 3.48Å; E205-K237 WeakPolarHBondContact OE2-CE 3.37Å; E205-K237 IonicContact OE2-NZ 2.68Å; E205-K237 PolarHBondContact OE2-NZ 2.75Å; S225-K237 WeakPolarHBondContact CA-O 3.48Å; I226-K237 HydrophobicContact CB-CG 4.08Å; I226-K237 PolarHBondContact N-O 2.85Å; P235-K237 PolarHBondContact O-N 3.06Å; K237-F239 HydrophobicContact CD-CE1 4.43Å; K237-F239 HydrophobicContact CG-CD1 4.49Å; K237-F239 HydrophobicContact CG-CE1 4.21Å
238	S	96	Very high	90.9	Very high	66 Å²	66	61 Å²	61	46%	0.462	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.8	173.6	-57.7	0	0	0	0	109.7	V224 S225	V224-S238 CarbonylContact O-C 3.48Å; V224-S238 VanDerWaalsContact O-CA 3.25Å; V224-S238 WeakPolarHBondContact O-CA 3.49Å; S225-S238 WeakPolarHBondContact CB-OG 3.38Å; S225-S238 WeakPolarHBondContact OG-CB 3.38Å; S225-S238 PolarHBondContact OG-OG 3.14Å
239	F	96.9	Very high	91.3	Very high	19 Å²	19	56.9 Å²	56.9	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	171.9	-172.3	53.7	-87.4	0	0	0	110.9	I176 L178 E205 V223 V224 I226 K237	I176-F239 HydrophobicContact CD1-CB 4.04Å; I176-F239 HydrophobicContact CG2-CD2 3.74Å; I176-F239 HydrophobicContact CG2-CE2 4.15Å; I176-F239 HydrophobicContact CG2-CG 4.47Å; L178-F239 HydrophobicContact CB-CE2 4.49Å; L178-F239 HydrophobicContact CD1-CE2 4.47Å; L178-F239 HydrophobicContact CD1-CZ 4.2Å; E205-F239 HydrophobicContact CB-CE1 4.15Å; E205-F239 HydrophobicContact CB-CE2 3.98Å; E205-F239 HydrophobicContact CB-CZ 3.66Å; E205-F239 HydrophobicContact CG-CD1 4.3Å; E205-F239 HydrophobicContact CG-CD2 4.33Å; E205-F239 HydrophobicContact CG-CE1 4.06Å; E205-F239 HydrophobicContact CG-CE2 4.07Å; E205-F239 HydrophobicContact CG-CG 4.45Å; E205-F239 HydrophobicContact CG-CZ 3.94Å; V223-F239 CarbonylContact C-O 3.57Å; V223-F239 WeakPolarHBondContact CA-O 3.12Å; V224-F239 HydrophobicContact CB-CD2 4.5Å; V224-F239 HydrophobicContact CB-CE2 4.04Å; V224-F239 HydrophobicContact CB-CZ 4.18Å; V224-F239 HydrophobicContact CG1-CE1 4.39Å; V224-F239 HydrophobicContact CG1-CE2 4.08Å; V224-F239 HydrophobicContact CG1-CZ 3.76Å; V224-F239 PolarHBondContact N-O 3.45Å; V224-F239 PolarHBondContact O-N 2.85Å; I226-F239 HydrophobicContact CD1-CE1 3.82Å; I226-F239 HydrophobicContact CD1-CZ 3.79Å; I226-F239 HydrophobicContact CG1-CE1 4.36Å; I226-F239 HydrophobicContact CG1-CZ 4.49Å; K237-F239 HydrophobicContact CD-CE1 4.43Å; K237-F239 HydrophobicContact CG-CD1 4.49Å; K237-F239 HydrophobicContact CG-CE1 4.21Å
240	K	96.8	Very high	92	Very high	103 Å²	103	54.5 Å²	54.5	45%	0.448	28%	0.276	S	S	.	.			trans	-106.7	120.4	168.6	-60.4	-168.5	179	-175.9	0	108.8	Q220 C222 V223	Q220-K240 WeakPolarHBondContact O-CE 3.4Å; Q220-K240 PolarHBondContact O-NZ 2.79Å; C222-K240 WeakPolarHBondContact O-CA 3.46Å; C222-K240 WeakPolarHBondContact O-CB 3.37Å; C222-K240 WeakPolarHBondContact O-CG 3.38Å; V223-K240 HydrophobicContact CG2-CD 4.49Å; V223-K240 HydrophobicContact CG2-CG 4.06Å
241	P	97.1	Very high	92.6	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.078	25%	0.247	C	C	.	.			trans	-73.2	136.6	171.7	29.6	-33.4	0	0	0	110.8	L178 V224 V244 L264 T269	L178-P241 HydrophobicContact CB-CB 3.96Å; V224-P241 HydrophobicContact CG2-CG 3.87Å; P241-V244 HydrophobicContact CB-CG2 4.41Å; P241-L264 HydrophobicContact CG-CD2 4.48Å; P241-T269 HydrophobicContact CB-CG2 4.25Å; P241-T269 HydrophobicContact CG-CG2 3.87Å
242	D	95.8	Very high	92.6	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	22%	0.222	S	C	.	.	S	Bend	trans	-84.1	-24	166.7	-67.4	-91	0	0	0	111.7	K175 I176 P270	K175-D242 WeakPolarHBondContact CA-OD2 3.43Å; K175-D242 HydrophobicContact CB-CB 4.43Å; K175-D242 HydrophobicContact CD-CB 3.91Å; K175-D242 WeakPolarHBondContact CD-OD1 3.21Å; K175-D242 WeakPolarHBondContact CD-OD2 3.45Å; K175-D242 WeakPolarHBondContact CE-OD1 3.43Å; K175-D242 IonicContact NZ-OD1 3.36Å; K175-D242 PolarHBondContact NZ-OD1 3.18Å; I176-D242 PolarHBondContact N-OD2 3.43Å; I176-D242 PolarHBondContact O-N 3.36Å; D242-P270 WeakPolarHBondContact O-CD 3.31Å
243	F	97.8	Very high	92.1	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.7	179.1	-160.1	-89.2	0	0	0	110.9	I176 L177 L178 P270 M272 V469 R472 M473 I476	I176-F243 PolarHBondContact O-N 3.43Å; L177-F243 HydrophobicContact CD1-CB 4.11Å; L177-F243 HydrophobicContact CD1-CD1 3.71Å; L177-F243 HydrophobicContact CD1-CG 4.38Å; L178-F243 PolarHBondContact N-O 2.93Å; F243-P270 CarbonylContact C-O 3.52Å; F243-P270 WeakPolarHBondContact CA-O 3.45Å; F243-P270 HydrophobicContact CD2-CB 3.68Å; F243-P270 HydrophobicContact CE2-CB 3.83Å; F243-M272 HydrophobicContact CE1-CB 3.73Å; F243-M272 HydrophobicContact CZ-CB 3.92Å; F243-M272 HydrophobicContact CZ-CE 4.43Å; F243-V469 HydrophobicContact CD1-CG1 4.05Å; F243-V469 HydrophobicContact CE1-CG1 4.07Å; F243-V469 HydrophobicContact CE1-CG2 4.47Å; F243-R472 HydrophobicContact CE2-CB 4.27Å; F243-R472 HydrophobicContact CE2-CG 3.83Å; F243-R472 HydrophobicContact CZ-CB 4.08Å; F243-R472 HydrophobicContact CZ-CG 3.77Å; F243-M473 HydrophobicContact CB-CE 3.79Å; F243-M473 HydrophobicContact CB-CG 3.69Å; F243-M473 HydrophobicContact CB-SD 3.89Å; F243-M473 HydrophobicContact CD1-CG 4.01Å; F243-M473 HydrophobicContact CD1-SD 4.42Å; F243-M473 HydrophobicContact CD2-CG 3.61Å; F243-M473 HydrophobicContact CE2-CG 4.27Å; F243-M473 HydrophobicContact CG-CG 3.48Å; F243-M473 VanDerWaalsContact CG-CG 3.48Å; F243-M473 HydrophobicContact CG-SD 4.15Å; F243-I476 HydrophobicContact CD2-CD1 4.01Å; F243-I476 HydrophobicContact CE2-CD1 3.65Å
244	V	98.5	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.8	175.2	-169.1	0	0	0	0	111.6	L178 I180 P241 V246 L264 T269 P270 C271 M272	L178-V244 HydrophobicContact CB-CG1 4.39Å; L178-V244 HydrophobicContact CB-CG2 4.31Å; L178-V244 HydrophobicContact CD2-CG1 4.26Å; L178-V244 HydrophobicContact CD2-CG2 4.32Å; L178-V244 HydrophobicContact CG-CG1 4.23Å; L178-V244 CarbonylContact O-C 3.59Å; L178-V244 VanDerWaalsContact O-CA 3.25Å; L178-V244 WeakPolarHBondContact O-CA 3.25Å; I180-V244 HydrophobicContact CD1-CG1 3.97Å; I180-V244 HydrophobicContact CG1-CG1 4.04Å; P241-V244 HydrophobicContact CB-CG2 4.41Å; V244-V246 HydrophobicContact CG1-CG2 3.85Å; V244-L264 HydrophobicContact CG1-CD1 4.49Å; V244-L264 HydrophobicContact CG2-CD1 4.29Å; V244-L264 HydrophobicContact CG2-CD2 4.02Å; V244-T269 HydrophobicContact CG2-CG2 3.73Å; V244-P270 PolarHBondContact N-O 3.45Å; V244-C271 HydrophobicContact CB-CB 4.21Å; V244-C271 CarbonylContact O-C 3.56Å; V244-C271 WeakPolarHBondContact O-CA 3.49Å; V244-M272 PolarHBondContact O-N 3.08Å
245	L	98.6	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	163.9	170.9	63.6	0	0	0	108.2	L177 L178 V179 I180 W187 R247 M272 I428 I465 V469	L177-L245 HydrophobicContact CD1-CB 4.38Å; L178-L245 PolarHBondContact O-N 3.45Å; V179-L245 WeakPolarHBondContact CA-O 3.47Å; V179-L245 HydrophobicContact CG1-CB 4.38Å; V179-L245 HydrophobicContact CG1-CD2 4.02Å; V179-L245 HydrophobicContact CG1-CG 4.27Å; V179-L245 HydrophobicContact CG2-CB 4.31Å; V179-L245 HydrophobicContact CG2-CD2 4.34Å; I180-L245 PolarHBondContact N-O 2.71Å; W187-L245 HydrophobicContact CD2-CD2 4.35Å; W187-L245 HydrophobicContact CE3-CD2 4.06Å; W187-L245 HydrophobicContact CH2-CD2 4.25Å; W187-L245 HydrophobicContact CZ3-CD2 4.02Å; L245-R247 HydrophobicContact CD1-CG 4.4Å; L245-R247 HydrophobicContact CD2-CG 4.27Å; L245-R247 HydrophobicContact CG-CG 4.07Å; L245-M272 HydrophobicContact CD1-CB 4.27Å; L245-M272 HydrophobicContact CD1-CG 4.42Å; L245-I428 HydrophobicContact CD1-CD1 4.27Å; L245-I465 HydrophobicContact CD1-CG2 3.96Å; L245-I465 HydrophobicContact CD2-CG2 3.87Å; L245-V469 HydrophobicContact CB-CG2 4.35Å; L245-V469 HydrophobicContact CD1-CG2 4.03Å; L245-V469 HydrophobicContact CD2-CG2 4.26Å; L245-V469 HydrophobicContact CG-CG2 4.43Å
246	V	98.2	Very high	92	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.7	179	177.3	0	0	0	0	110.1	I180 F209 V244 Q248 M272 I278 S449	I180-V246 HydrophobicContact CD1-CG2 4.31Å; F209-V246 HydrophobicContact CE2-CG1 4.05Å; F209-V246 HydrophobicContact CZ-CG1 3.88Å; F209-V246 HydrophobicContact CZ-CG2 4.5Å; V244-V246 HydrophobicContact CG1-CG2 3.85Å; V246-Q248 VanDerWaalsContact CG1-O 3.24Å; V246-Q248 WeakPolarHBondContact CG1-O 3.29Å; V246-M272 PolarHBondContact N-O 3.06Å; V246-I278 HydrophobicContact CB-CD1 3.74Å; V246-I278 HydrophobicContact CG1-CD1 4.21Å; V246-I278 HydrophobicContact CG2-CD1 3.92Å; V246-S449 CarbonylContact O-C 3.59Å; V246-S449 WeakPolarHBondContact O-CB 3.48Å; V246-S449 PolarHBondContact O-OG 2.7Å
247	R	97.6	Very high	92.1	Very high	9 Å²	9	40.5 Å²	40.5	3%	0.034	20%	0.2	C	C	.	.			trans	-115.5	-23	179.8	-72.6	-71	-53.1	138.6	6.9	112.8	I180 D181 W187 L245 S449 D450 M451	I180-R247 PolarHBondContact O-N 2.84Å; D181-R247 HydrophobicContact CB-CB 3.66Å; D181-R247 HydrophobicContact CB-CG 4.33Å; D181-R247 WeakPolarHBondContact OD1-CB 3.27Å; D181-R247 VanDerWaalsContact OD2-CB 3.24Å; D181-R247 WeakPolarHBondContact OD2-CB 3.26Å; D181-R247 IonicContact OD2-NE 3.58Å; W187-R247 HydrophobicContact CH2-CG 4.49Å; W187-R247 HydrophobicContact CZ2-CG 3.8Å; L245-R247 HydrophobicContact CD1-CG 4.4Å; L245-R247 HydrophobicContact CD2-CG 4.27Å; L245-R247 HydrophobicContact CG-CG 4.07Å; R247-S449 WeakPolarHBondContact CD-O 3.3Å; R247-S449 PolarHBondContact NH1-O 3.01Å; R247-D450 WeakPolarHBondContact O-CA 3.25Å; R247-M451 VanDerWaalsContact CZ-O 3.31Å; R247-M451 PolarHBondContact NH1-O 3.42Å; R247-M451 PolarHBondContact NH2-O 3.4Å
248	Q	94.4	Very high	92.1	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.023	20%	0.198	C	C	.	.	S	Bend	trans	-80.4	147	167.9	-164.9	-174.1	-11.1	0	0	111.1	Y118 I180 F209 V246 W257	Y118-Q248 HydrophobicContact CD2-CG 3.97Å; Y118-Q248 HydrophobicContact CE2-CG 3.45Å; Y118-Q248 VanDerWaalsContact CE2-CG 3.45Å; Y118-Q248 VanDerWaalsContact CE2-NE2 3.31Å; Y118-Q248 PolarHBondContact OH-NE2 3.36Å; I180-Q248 HydrophobicContact CG2-CB 4.32Å; I180-Q248 PolarHBondContact O-N 2.71Å; F209-Q248 HydrophobicContact CD2-CB 3.9Å; F209-Q248 HydrophobicContact CD2-CG 3.98Å; F209-Q248 HydrophobicContact CE2-CB 4.08Å; V246-Q248 VanDerWaalsContact CG1-O 3.24Å; V246-Q248 WeakPolarHBondContact CG1-O 3.29Å; Q248-W257 VanDerWaalsContact NE2-CZ3 3.34Å
249	H	91.5	Very high	92.1	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.046	20%	0.204	C	C	.	.			trans	-72.9	137.6	169.1	-171.2	-99.7	0	0	0	111	S251 W257 R284 H333 D450	H249-S251 PolarHBondContact ND1-N 2.82Å; H249-S251 PolarHBondContact ND1-O 2.91Å; H249-S251 PolarHBondContact O-N 2.84Å; H249-S251 VanDerWaalsContact O-N 3.08Å; H249-W257 WeakPolarHBondContact O-CZ3 3.23Å; H249-R284 PolarHBondContact CD2-NH2 3.21Å; H249-R284 PolarHBondContact NE2-NH2 2.98Å; H249-H333 AromaticContact CD2-CE1 3.63Å; H249-H333 AromaticContact CE1-CE1 3.27Å; H249-H333 PolarHBondContact CE1-CE1 3.26Å; H249-H333 AromaticContact CE1-NE2 3.22Å; H249-H333 PolarHBondContact CE1-NE2 2.81Å; H249-H333 AromaticContact CG-CE1 3.36Å; H249-H333 AromaticContact CG-NE2 3.7Å; H249-H333 AromaticContact ND1-CE1 3.14Å; H249-H333 PolarHBondContact ND1-CE1 3Å; H249-H333 AromaticContact ND1-NE2 3Å; H249-H333 PolarHBondContact ND1-NE2 3.37Å; H249-H333 AromaticContact NE2-CE1 3.57Å; H249-H333 AromaticContact NE2-NE2 3.98Å; H249-D450 HydrophobicContact CB-CB 4.41Å; H249-D450 IonicContact CD2-OD2 3.52Å; H249-D450 PolarHBondContact CD2-OD2 2.79Å; H249-D450 VanDerWaalsContact CD2-OD2 3.3Å
250	P	92	Very high	92.2	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.019	21%	0.205	C	C	.	.	S	Bend	trans	-77.9	14.8	-172.9	33.7	-41	0	0	0	115.5	F209 W257 L261 I278 K282	F209-P250 HydrophobicContact CE2-CB 3.96Å; F209-P250 HydrophobicContact CZ-CB 3.97Å; P250-W257 VanDerWaalsContact C-CE3 3.49Å; P250-W257 PolarHBondContact O-N 2.88Å; P250-L261 HydrophobicContact CB-CD1 3.63Å; P250-L261 HydrophobicContact CB-CD2 4.3Å; P250-L261 HydrophobicContact CB-CG 4.06Å; P250-L261 HydrophobicContact CG-CD1 3.89Å; P250-I278 HydrophobicContact CG-CG2 3.95Å; P250-K282 HydrophobicContact CG-CB 3.89Å; P250-K282 HydrophobicContact CG-CD 4.18Å; P250-K282 HydrophobicContact CG-CG 4.09Å
251	S	86.9	Confident	92.2	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.035	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-160.4	158.1	170.9	-59	0	0	0	0	111.1	H249 E255 N256 K282 H333	H249-S251 PolarHBondContact ND1-N 2.82Å; H249-S251 PolarHBondContact ND1-O 2.91Å; H249-S251 PolarHBondContact O-N 2.84Å; H249-S251 VanDerWaalsContact O-N 3.08Å; S251-E255 CarbonylContact C-O 3.56Å; S251-E255 WeakPolarHBondContact CA-O 3.35Å; S251-N256 PolarHBondContact OG-OD1 2.83Å; S251-K282 WeakPolarHBondContact OG-CD 3.47Å; S251-K282 WeakPolarHBondContact OG-CE 3.36Å; S251-H333 PolarHBondContact O-NE2 3.4Å
252	D	77.3	Confident	92.2	Very high	41 Å²	41	38.9 Å²	38.9	22%	0.219	20%	0.2	C	C	.	.			trans	-135.7	-162.7	159.8	65	35.4	0	0	0	110.6	K254 E255 W257	D252-K254 PolarHBondContact O-N 2.85Å; D252-K254 WeakPolarHBondContact OD1-CA 3.33Å; D252-K254 WeakPolarHBondContact OD1-CB 3.2Å; D252-K254 PolarHBondContact OD1-N 2.76Å; D252-E255 PolarHBondContact N-O 2.92Å; D252-E255 PolarHBondContact OD1-N 3.3Å; D252-W257 WeakPolarHBondContact OD2-CH2 3.42Å
253	L	73.1	Confident	92.3	Very high	93 Å²	93	36.5 Å²	36.5	49%	0.487	19%	0.189	S	C	.	.	S	Bend	trans	-72.4	-4.4	179.2	-68.4	178	0	0	0	114.9	V331 E336	L253-V331 WeakPolarHBondContact CD2-O 3.43Å; L253-E336 HydrophobicContact CD1-CB 3.79Å
254	K	80.7	Confident	92.3	Very high	189 Å²	189	36.4 Å²	36.4	82%	0.822	19%	0.189	S	C	*	.	S	Bend	trans	-127.3	-41.2	-174.3	-62.9	170	-175.7	162.8	0	112.5	D252	D252-K254 PolarHBondContact O-N 2.85Å; D252-K254 WeakPolarHBondContact OD1-CA 3.33Å; D252-K254 WeakPolarHBondContact OD1-CB 3.2Å; D252-K254 PolarHBondContact OD1-N 2.76Å
255	E	85.9	Confident	92.2	Very high	59 Å²	59	42 Å²	42	28%	0.276	22%	0.216	S	C	.	.			trans	-119.6	135.6	-176	-68.9	-177.1	-132.3	0	0	111.3	R115 S210 S251 D252 W257	R115-E255 IonicContact CZ-OE1 3.8Å; R115-E255 IonicContact NE-OE1 2.71Å; R115-E255 IonicContact NH2-OE1 2.72Å; R115-E255 PolarHBondContact NH2-OE1 3.42Å; R115-E255 IonicContact NH2-OE2 3.55Å; S210-E255 WeakPolarHBondContact CB-OE2 3.47Å; S251-E255 CarbonylContact C-O 3.56Å; S251-E255 WeakPolarHBondContact CA-O 3.35Å; D252-E255 PolarHBondContact N-O 2.92Å; D252-E255 PolarHBondContact OD1-N 3.3Å; E255-W257 HydrophobicContact CB-CD2 4.35Å; E255-W257 VanDerWaalsContact CB-CE2 3.49Å; E255-W257 HydrophobicContact CB-CH2 4.08Å; E255-W257 HydrophobicContact CB-CZ2 3.35Å; E255-W257 HydrophobicContact CG-CZ2 4.11Å; E255-W257 WeakPolarHBondContact OE2-CZ2 3.48Å; E255-W257 PolarHBondContact OE2-NE1 3.08Å
256	N	90.2	Very high	92.2	Very high	90 Å²	90	49.5 Å²	49.5	48%	0.481	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-120.9	102.4	177.4	174.9	7	0	0	0	109.5	S251 Q258 P259 K282	S251-N256 PolarHBondContact OG-OD1 2.83Å; N256-Q258 VanDerWaalsContact C-N 3.28Å; N256-Q258 PolarHBondContact O-N 2.99Å; N256-Q258 WeakPolarHBondContact OD1-CB 2.94Å; N256-Q258 PolarHBondContact OD1-N 2.9Å; N256-P259 WeakPolarHBondContact O-CD 3.1Å; N256-K282 VanDerWaalsContact OD1-CE 3.23Å; N256-K282 WeakPolarHBondContact OD1-CE 3.41Å
257	W	94.7	Very high	92.1	Very high	21 Å²	21	50 Å²	50	8%	0.08	25%	0.251	C	S	.	.			trans	-90.2	17.4	-177.5	-49.7	-68.1	0	0	0	113.2	F209 Q248 H249 P250 D252 E255 P259 I260 L261	F209-W257 HydrophobicContact CB-CB 3.95Å; F209-W257 HydrophobicContact CB-CD2 3.41Å; F209-W257 VanDerWaalsContact CB-CD2 3.41Å; F209-W257 HydrophobicContact CB-CE3 3.75Å; F209-W257 HydrophobicContact CB-CG 3.5Å; F209-W257 VanDerWaalsContact CB-CG 3.5Å; F209-W257 HydrophobicContact CD1-CB 3.86Å; F209-W257 HydrophobicContact CD1-CG 4.37Å; F209-W257 HydrophobicContact CD2-CD2 4.33Å; F209-W257 AromaticContact CD2-CE3 3.84Å; F209-W257 HydrophobicContact CD2-CE3 3.84Å; F209-W257 HydrophobicContact CG-CB 3.89Å; F209-W257 HydrophobicContact CG-CD2 4.01Å; F209-W257 HydrophobicContact CG-CE3 4.01Å; F209-W257 AromaticContact CG-CG 3.98Å; F209-W257 HydrophobicContact CG-CG 3.98Å; Q248-W257 VanDerWaalsContact NE2-CZ3 3.34Å; H249-W257 WeakPolarHBondContact O-CZ3 3.23Å; P250-W257 VanDerWaalsContact C-CE3 3.49Å; P250-W257 PolarHBondContact O-N 2.88Å; D252-W257 WeakPolarHBondContact OD2-CH2 3.42Å; E255-W257 HydrophobicContact CB-CD2 4.35Å; E255-W257 VanDerWaalsContact CB-CE2 3.49Å; E255-W257 HydrophobicContact CB-CH2 4.08Å; E255-W257 HydrophobicContact CB-CZ2 3.35Å; E255-W257 HydrophobicContact CG-CZ2 4.11Å; E255-W257 WeakPolarHBondContact OE2-CZ2 3.48Å; E255-W257 PolarHBondContact OE2-NE1 3.08Å; W257-P259 VanDerWaalsContact C-N 3.27Å; W257-I260 HydrophobicContact CB-CD1 4.29Å; W257-I260 WeakPolarHBondContact O-CB 3.44Å; W257-I260 PolarHBondContact O-N 3.08Å; W257-L261 PolarHBondContact O-N 3.18Å
258	Q	94.7	Very high	92	Very high	50 Å²	50	52.4 Å²	52.4	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-48.8	-39.4	169.9	178.6	-179.6	-41.4	0	0	113.9	N256 I260 L261 T262 Y279 K282	N256-Q258 VanDerWaalsContact C-N 3.28Å; N256-Q258 PolarHBondContact O-N 2.99Å; N256-Q258 WeakPolarHBondContact OD1-CB 2.94Å; N256-Q258 PolarHBondContact OD1-N 2.9Å; Q258-I260 PolarHBondContact O-N 2.89Å; Q258-L261 WeakPolarHBondContact O-CB 3.43Å; Q258-L261 PolarHBondContact O-N 3.01Å; Q258-L261 VanDerWaalsContact O-N 3.07Å; Q258-T262 PolarHBondContact O-N 3.41Å; Q258-T262 PolarHBondContact O-OG1 2.99Å; Q258-Y279 HydrophobicContact CG-CD2 4.12Å; Q258-Y279 HydrophobicContact CG-CE2 3.6Å; Q258-Y279 PolarHBondContact NE2-OH 3.17Å; Q258-K282 HydrophobicContact CB-CD 4.2Å
259	P	96.3	Very high	92.1	Very high	91 Å²	91	52.6 Å²	52.6	59%	0.591	28%	0.28	S	S	*	.	H	α-helix	trans	-59.1	-29.2	175	-26.1	36.7	0	0	0	114	N256 W257 G263	N256-P259 WeakPolarHBondContact O-CD 3.1Å; W257-P259 VanDerWaalsContact C-N 3.27Å; P259-G263 PolarHBondContact O-N 3.33Å
260	I	97.2	Very high	92.4	Very high	19 Å²	19	54.1 Å²	54.1	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-69	-44	174.1	-67.9	176	0	0	0	110.3	F209 I212 L214 W257 Q258 G263 L264	F209-I260 HydrophobicContact CD1-CB 4.26Å; F209-I260 HydrophobicContact CD1-CD1 4.1Å; F209-I260 HydrophobicContact CD1-CG2 3.88Å; F209-I260 HydrophobicContact CE1-CB 4.36Å; F209-I260 HydrophobicContact CE1-CG2 3.82Å; F209-I260 WeakPolarHBondContact O-CD1 3.39Å; I212-I260 HydrophobicContact CB-CD1 4.21Å; I212-I260 HydrophobicContact CG2-CD1 3.99Å; L214-I260 HydrophobicContact CD2-CB 4.28Å; L214-I260 HydrophobicContact CD2-CG1 4.45Å; L214-I260 HydrophobicContact CD2-CG2 4.02Å; L214-I260 WeakPolarHBondContact CD2-O 3.45Å; W257-I260 HydrophobicContact CB-CD1 4.29Å; W257-I260 WeakPolarHBondContact O-CB 3.44Å; W257-I260 PolarHBondContact O-N 3.08Å; Q258-I260 PolarHBondContact O-N 2.89Å; I260-G263 PolarHBondContact O-N 3.45Å; I260-L264 HydrophobicContact CG2-CD1 4.09Å; I260-L264 WeakPolarHBondContact O-CG 3.4Å; I260-L264 PolarHBondContact O-N 2.8Å
261	L	97.2	Very high	92.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-45.9	174.2	-59.1	-178.3	0	0	0	111.8	F209 P250 W257 Q258 G263 L264 M265 L275 I278	F209-L261 HydrophobicContact CE1-CD2 4.25Å; F209-L261 HydrophobicContact CZ-CD2 4.08Å; P250-L261 HydrophobicContact CB-CD1 3.63Å; P250-L261 HydrophobicContact CB-CD2 4.3Å; P250-L261 HydrophobicContact CB-CG 4.06Å; P250-L261 HydrophobicContact CG-CD1 3.89Å; W257-L261 PolarHBondContact O-N 3.18Å; Q258-L261 WeakPolarHBondContact O-CB 3.43Å; Q258-L261 PolarHBondContact O-N 3.01Å; Q258-L261 VanDerWaalsContact O-N 3.07Å; L261-G263 VanDerWaalsContact C-N 3.32Å; L261-G263 PolarHBondContact O-N 3.16Å; L261-L264 PolarHBondContact O-N 3.11Å; L261-M265 WeakPolarHBondContact O-CB 3.4Å; L261-M265 PolarHBondContact O-N 3.43Å; L261-L275 HydrophobicContact CD2-CD2 4.27Å; L261-I278 HydrophobicContact CD1-CG2 3.81Å; L261-I278 HydrophobicContact CD2-CG2 3.91Å
262	T	97.2	Very high	93.2	Very high	67 Å²	67	54.2 Å²	54.2	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.4	-61.2	0	0	0	0	111.2	Q258 M265 Y266	Q258-T262 PolarHBondContact O-N 3.41Å; Q258-T262 PolarHBondContact O-OG1 2.99Å; T262-M265 PolarHBondContact O-N 3.23Å; T262-Y266 VanDerWaalsContact O-CB 3.31Å; T262-Y266 WeakPolarHBondContact O-CB 3.26Å; T262-Y266 PolarHBondContact O-N 3.22Å
263	G	97.7	Very high	94.2	Very high	8 Å²	8	52.3 Å²	52.3	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-42	177.2	0	0	0	0	0	114.2	A216 P259 I260 L261 M265 Y266 G267	A216-G263 VanDerWaalsContact CB-O 3.3Å; A216-G263 WeakPolarHBondContact CB-O 3.42Å; P259-G263 PolarHBondContact O-N 3.33Å; I260-G263 PolarHBondContact O-N 3.45Å; L261-G263 VanDerWaalsContact C-N 3.32Å; L261-G263 PolarHBondContact O-N 3.16Å; G263-M265 VanDerWaalsContact C-N 3.29Å; G263-M265 PolarHBondContact O-N 3.1Å; G263-Y266 PolarHBondContact O-N 3.49Å; G263-G267 PolarHBondContact O-N 3.37Å
264	L	97.8	Very high	95.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-39.2	172.3	-70.4	168.9	0	0	0	111.4	I180 L214 C222 V224 P241 V244 I260 L261 G267 G268 T269 L275	I180-L264 HydrophobicContact CD1-CD1 4.5Å; L214-L264 HydrophobicContact CD2-CG 4.21Å; C222-L264 HydrophobicContact CB-CD2 4.47Å; V224-L264 HydrophobicContact CG2-CD2 4.38Å; P241-L264 HydrophobicContact CG-CD2 4.48Å; V244-L264 HydrophobicContact CG1-CD1 4.49Å; V244-L264 HydrophobicContact CG2-CD1 4.29Å; V244-L264 HydrophobicContact CG2-CD2 4.02Å; I260-L264 HydrophobicContact CG2-CD1 4.09Å; I260-L264 WeakPolarHBondContact O-CG 3.4Å; I260-L264 PolarHBondContact O-N 2.8Å; L261-L264 PolarHBondContact O-N 3.11Å; L264-G267 CarbonylContact O-C 3.57Å; L264-G268 PolarHBondContact O-N 3.25Å; L264-T269 HydrophobicContact CD2-CG2 4.27Å; L264-T269 WeakPolarHBondContact O-CB 3.19Å; L264-T269 PolarHBondContact O-N 3.09Å; L264-T269 PolarHBondContact O-OG1 3.41Å; L264-L275 VanDerWaalsContact C-CD1 3.5Å; L264-L275 HydrophobicContact CB-CD1 3.63Å; L264-L275 HydrophobicContact CB-CD2 4.14Å; L264-L275 HydrophobicContact CD1-CD2 4.3Å
265	M	97.2	Very high	96.2	Very high	117 Å²	117	41.2 Å²	41.2	58%	0.576	23%	0.233	S	C	*	.	H	α-helix	trans	-69.7	-41.9	178.2	-172.9	70.8	-164.6	0	0	111.5	L261 T262 G263 G267 G268 L275	L261-M265 WeakPolarHBondContact O-CB 3.4Å; L261-M265 PolarHBondContact O-N 3.43Å; T262-M265 PolarHBondContact O-N 3.23Å; G263-M265 VanDerWaalsContact C-N 3.29Å; G263-M265 PolarHBondContact O-N 3.1Å; M265-G267 VanDerWaalsContact C-N 3.35Å; M265-G268 PolarHBondContact O-N 2.91Å; M265-G268 VanDerWaalsContact O-N 3.09Å; M265-L275 HydrophobicContact CB-CB 4.44Å; M265-L275 HydrophobicContact CB-CD1 3.92Å; M265-L275 VanDerWaalsContact N-CD1 3.34Å; M265-L275 HydrophobicContact SD-CB 3.95Å; M265-L275 HydrophobicContact SD-CD1 4.23Å
266	Y	97.5	Very high	96.7	Very high	158 Å²	158	43.4 Å²	43.4	62%	0.62	24%	0.243	S	C	*	.	H	α-helix	trans	-62.3	-41.7	175.4	-170.4	-79.1	0	0	0	111.5	A216 T262 G263 G268	A216-Y266 HydrophobicContact CB-CD1 3.84Å; A216-Y266 HydrophobicContact CB-CG 4.48Å; T262-Y266 VanDerWaalsContact O-CB 3.31Å; T262-Y266 WeakPolarHBondContact O-CB 3.26Å; T262-Y266 PolarHBondContact O-N 3.22Å; G263-Y266 PolarHBondContact O-N 3.49Å; Y266-G268 PolarHBondContact O-N 3.08Å
267	G	96.5	Very high	97.1	Very high	11 Å²	11	39.1 Å²	39.1	11%	0.113	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	12.2	173.6	0	0	0	0	0	114.7	G221 G263 L264 M265 T269	G221-G267 WeakPolarHBondContact CA-O 3.17Å; G263-G267 PolarHBondContact O-N 3.37Å; L264-G267 CarbonylContact O-C 3.57Å; M265-G267 VanDerWaalsContact C-N 3.35Å; G267-T269 PolarHBondContact O-N 2.9Å; G267-T269 VanDerWaalsContact O-N 3.09Å; G267-T269 PolarHBondContact O-OG1 3.08Å
268	G	95.9	Very high	97.2	Very high	61 Å²	61	38.6 Å²	38.6	63%	0.629	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	17.9	175.8	0	0	0	0	0	115.6	L264 M265 Y266 P270	L264-G268 PolarHBondContact O-N 3.25Å; M265-G268 PolarHBondContact O-N 2.91Å; M265-G268 VanDerWaalsContact O-N 3.09Å; Y266-G268 PolarHBondContact O-N 3.08Å; G268-P270 WeakPolarHBondContact O-CD 2.92Å
269	T	96.7	Very high	97.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	23%	0.228	C	C	.	.			trans	-76.2	121.4	-169.2	-50.2	0	0	0	0	111.1	C222 P241 V244 L264 G267 L275	C222-T269 WeakPolarHBondContact CB-OG1 3.37Å; P241-T269 HydrophobicContact CB-CG2 4.25Å; P241-T269 HydrophobicContact CG-CG2 3.87Å; V244-T269 HydrophobicContact CG2-CG2 3.73Å; L264-T269 HydrophobicContact CD2-CG2 4.27Å; L264-T269 WeakPolarHBondContact O-CB 3.19Å; L264-T269 PolarHBondContact O-N 3.09Å; L264-T269 PolarHBondContact O-OG1 3.41Å; G267-T269 PolarHBondContact O-N 2.9Å; G267-T269 VanDerWaalsContact O-N 3.09Å; G267-T269 PolarHBondContact O-OG1 3.08Å; T269-L275 WeakPolarHBondContact O-CD1 3.24Å
270	P	97.1	Very high	97.3	Very high	42 Å²	42	38.2 Å²	38.2	27%	0.273	21%	0.206	S	C	.	.			trans	-64.8	149.5	177.1	-20.5	32.7	0	0	0	113	D242 F243 V244 G268 I476	D242-P270 WeakPolarHBondContact O-CD 3.31Å; F243-P270 CarbonylContact C-O 3.52Å; F243-P270 WeakPolarHBondContact CA-O 3.45Å; F243-P270 HydrophobicContact CD2-CB 3.68Å; F243-P270 HydrophobicContact CE2-CB 3.83Å; V244-P270 PolarHBondContact N-O 3.45Å; G268-P270 WeakPolarHBondContact O-CD 2.92Å; P270-I476 HydrophobicContact CB-CD1 3.71Å; P270-I476 HydrophobicContact CG-CD1 4.17Å; P270-I476 HydrophobicContact CG-CG2 4.3Å
271	C	98.3	Very high	97.2	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.8	-173.2	-171.9	0	0	0	0	112.8	V244 N273 L275	V244-C271 HydrophobicContact CB-CB 4.21Å; V244-C271 CarbonylContact O-C 3.56Å; V244-C271 WeakPolarHBondContact O-CA 3.49Å; C271-N273 CarbonylContact C-O 3.51Å; C271-N273 WeakPolarHBondContact CB-O 3.33Å; C271-N273 CarbonylContact O-C 3.59Å; C271-N273 PolarHBondContact SG-O 3.26Å; C271-L275 HydrophobicContact CB-CD1 4.43Å; C271-L275 HydrophobicContact CB-CD2 3.66Å; C271-L275 HydrophobicContact CB-CG 3.58Å
272	M	98	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.8	168.6	-172.5	167.2	-68.2	0	0	111.6	F243 V244 L245 V246 D427 I428 L468 V469 R472	F243-M272 HydrophobicContact CE1-CB 3.73Å; F243-M272 HydrophobicContact CZ-CB 3.92Å; F243-M272 HydrophobicContact CZ-CE 4.43Å; V244-M272 PolarHBondContact O-N 3.08Å; L245-M272 HydrophobicContact CD1-CB 4.27Å; L245-M272 HydrophobicContact CD1-CG 4.42Å; V246-M272 PolarHBondContact N-O 3.06Å; M272-D427 HydrophobicContact CE-CB 4.26Å; M272-D427 HydrophobicContact CG-CB 4.09Å; M272-D427 HydrophobicContact SD-CB 4.27Å; M272-I428 HydrophobicContact CG-CD1 3.83Å; M272-I428 HydrophobicContact CG-CG1 4.36Å; M272-I428 HydrophobicContact SD-CD1 3.85Å; M272-I428 HydrophobicContact SD-CG1 4.34Å; M272-L468 HydrophobicContact CE-CB 4.43Å; M272-L468 HydrophobicContact CE-CG 3.86Å; M272-L468 WeakPolarHBondContact CE-O 3.28Å; M272-L468 HydrophobicContact SD-CB 4.15Å; M272-L468 HydrophobicContact SD-CD2 4.04Å; M272-L468 HydrophobicContact SD-CG 3.84Å; M272-V469 HydrophobicContact CB-CG2 4.39Å; M272-V469 HydrophobicContact CE-CG2 4.3Å; M272-V469 HydrophobicContact SD-CG2 3.57Å; M272-V469 VanDerWaalsContact SD-CG2 3.57Å; M272-R472 HydrophobicContact CE-CB 3.49Å; M272-R472 VanDerWaalsContact CE-CB 3.49Å; M272-R472 HydrophobicContact CE-CG 3.81Å
273	N	98.2	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	S	Bend	cis	-57.9	173.9	-15.3	-74.6	-12.5	0	0	0	111.3	C271 A277 I278 D427 I428 S449	C271-N273 CarbonylContact C-O 3.51Å; C271-N273 WeakPolarHBondContact CB-O 3.33Å; C271-N273 CarbonylContact O-C 3.59Å; C271-N273 PolarHBondContact SG-O 3.26Å; N273-A277 HydrophobicContact CB-CB 4.38Å; N273-I278 HydrophobicContact CB-CD1 4.4Å; N273-I278 HydrophobicContact CB-CG1 4.07Å; N273-I278 WeakPolarHBondContact O-CD1 3.24Å; N273-D427 PolarHBondContact OD1-N 2.92Å; N273-I428 PolarHBondContact ND2-O 3.34Å; N273-I428 PolarHBondContact OD1-N 2.87Å; N273-I428 PolarHBondContact OD1-O 3.1Å; N273-S449 PolarHBondContact N-OG 2.74Å; N273-S449 VanDerWaalsContact N-OG 3.11Å; N273-S449 PolarHBondContact ND2-N 3.17Å
274	T	97.8	Very high	96.3	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.239	21%	0.209	C	C	.	.			trans	-56.3	145	176.5	73.7	0	0	0	0	111.5	H276 A277 I278	T274-H276 PolarHBondContact O-N 3.31Å; T274-A277 WeakPolarHBondContact O-CB 3.4Å; T274-A277 PolarHBondContact O-N 3.19Å; T274-A277 WeakPolarHBondContact OG1-CB 3.33Å; T274-A277 PolarHBondContact OG1-N 2.97Å; T274-A277 VanDerWaalsContact OG1-N 3.16Å; T274-I278 WeakPolarHBondContact O-CG1 3.18Å; T274-I278 PolarHBondContact O-N 3.34Å
275	L	97.7	Very high	96.1	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-33.9	178.9	-66.5	174.3	0	0	0	112.1	L261 L264 M265 T269 C271 I278 Y279	L261-L275 HydrophobicContact CD2-CD2 4.27Å; L264-L275 VanDerWaalsContact C-CD1 3.5Å; L264-L275 HydrophobicContact CB-CD1 3.63Å; L264-L275 HydrophobicContact CB-CD2 4.14Å; L264-L275 HydrophobicContact CD1-CD2 4.3Å; M265-L275 HydrophobicContact CB-CB 4.44Å; M265-L275 HydrophobicContact CB-CD1 3.92Å; M265-L275 VanDerWaalsContact N-CD1 3.34Å; M265-L275 HydrophobicContact SD-CB 3.95Å; M265-L275 HydrophobicContact SD-CD1 4.23Å; T269-L275 WeakPolarHBondContact O-CD1 3.24Å; C271-L275 HydrophobicContact CB-CD1 4.43Å; C271-L275 HydrophobicContact CB-CD2 3.66Å; C271-L275 HydrophobicContact CB-CG 3.58Å; L275-I278 PolarHBondContact O-N 2.6Å; L275-Y279 WeakPolarHBondContact O-CB 3.43Å; L275-Y279 PolarHBondContact O-N 3.4Å
276	H	97.4	Very high	96	Very high	105 Å²	105	41.3 Å²	41.3	49%	0.486	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-46.5	173	180	85.9	0	0	0	111.7	T274 N280 F423	T274-H276 PolarHBondContact O-N 3.31Å; H276-N280 PolarHBondContact NE2-ND2 2.69Å; H276-N280 PolarHBondContact O-N 3.3Å; H276-N280 PolarHBondContact O-ND2 3.16Å; H276-F423 PolarHBondContact CD2-O 3.24Å
277	A	97.8	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-50.2	175.8	0	0	0	0	0	112	N273 T274 Y279 N280 M281 F423 L426	N273-A277 HydrophobicContact CB-CB 4.38Å; T274-A277 WeakPolarHBondContact O-CB 3.4Å; T274-A277 PolarHBondContact O-N 3.19Å; T274-A277 WeakPolarHBondContact OG1-CB 3.33Å; T274-A277 PolarHBondContact OG1-N 2.97Å; T274-A277 VanDerWaalsContact OG1-N 3.16Å; A277-Y279 VanDerWaalsContact C-N 3.33Å; A277-Y279 PolarHBondContact O-N 2.89Å; A277-N280 PolarHBondContact O-N 2.74Å; A277-M281 WeakPolarHBondContact O-CB 3.43Å; A277-M281 VanDerWaalsContact O-CG 3.27Å; A277-M281 WeakPolarHBondContact O-CG 3.27Å; A277-M281 PolarHBondContact O-N 3.47Å; A277-F423 HydrophobicContact CB-CB 3.9Å; A277-L426 HydrophobicContact CB-CD2 3.57Å
278	I	97.5	Very high	96	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-42.9	-179	-61.7	164.9	0	0	0	111.2	V246 P250 L261 N273 T274 L275 N280 M281 K282	V246-I278 HydrophobicContact CB-CD1 3.74Å; V246-I278 HydrophobicContact CG1-CD1 4.21Å; V246-I278 HydrophobicContact CG2-CD1 3.92Å; P250-I278 HydrophobicContact CG-CG2 3.95Å; L261-I278 HydrophobicContact CD1-CG2 3.81Å; L261-I278 HydrophobicContact CD2-CG2 3.91Å; N273-I278 HydrophobicContact CB-CD1 4.4Å; N273-I278 HydrophobicContact CB-CG1 4.07Å; N273-I278 WeakPolarHBondContact O-CD1 3.24Å; T274-I278 WeakPolarHBondContact O-CG1 3.18Å; T274-I278 PolarHBondContact O-N 3.34Å; L275-I278 PolarHBondContact O-N 2.6Å; I278-N280 VanDerWaalsContact C-N 3.35Å; I278-N280 PolarHBondContact O-N 3.14Å; I278-M281 PolarHBondContact O-N 3.38Å; I278-K282 PolarHBondContact O-N 3.25Å; I278-K282 VanDerWaalsContact O-N 3.08Å
279	Y	96.8	Very high	96.1	Very high	107 Å²	107	33.2 Å²	33.2	42%	0.42	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-41.2	177.8	-176.8	-84.8	0	0	0	112.5	Q258 L275 A277	Q258-Y279 HydrophobicContact CG-CD2 4.12Å; Q258-Y279 HydrophobicContact CG-CE2 3.6Å; Q258-Y279 PolarHBondContact NE2-OH 3.17Å; L275-Y279 WeakPolarHBondContact O-CB 3.43Å; L275-Y279 PolarHBondContact O-N 3.4Å; A277-Y279 VanDerWaalsContact C-N 3.33Å; A277-Y279 PolarHBondContact O-N 2.89Å
280	N	96.2	Very high	96.2	Very high	25 Å²	25	35 Å²	35	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-71.4	-46.3	176	-80.6	-88.1	0	0	0	112.1	H276 A277 I278 K282 N283 W286 F423	H276-N280 PolarHBondContact NE2-ND2 2.69Å; H276-N280 PolarHBondContact O-N 3.3Å; H276-N280 PolarHBondContact O-ND2 3.16Å; A277-N280 PolarHBondContact O-N 2.74Å; I278-N280 VanDerWaalsContact C-N 3.35Å; I278-N280 PolarHBondContact O-N 3.14Å; N280-K282 VanDerWaalsContact C-N 3.26Å; N280-K282 PolarHBondContact O-N 3.41Å; N280-N283 PolarHBondContact O-N 3Å; N280-W286 PolarHBondContact OD1-NE1 3.26Å; N280-F423 HydrophobicContact CB-CD1 3.42Å; N280-F423 VanDerWaalsContact CB-CD1 3.42Å; N280-F423 HydrophobicContact CB-CD2 4.1Å; N280-F423 HydrophobicContact CB-CE1 3.47Å; N280-F423 VanDerWaalsContact CB-CE1 3.47Å; N280-F423 HydrophobicContact CB-CE2 4.15Å; N280-F423 HydrophobicContact CB-CG 3.76Å; N280-F423 HydrophobicContact CB-CZ 3.85Å
281	M	94.4	Very high	96.2	Very high	8 Å²	8	33 Å²	33	4%	0.039	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-24.3	-175.6	-68.3	-175.5	83	0	0	113.7	A277 I278 N283 L287 F423 L426 N447	A277-M281 WeakPolarHBondContact O-CB 3.43Å; A277-M281 VanDerWaalsContact O-CG 3.27Å; A277-M281 WeakPolarHBondContact O-CG 3.27Å; A277-M281 PolarHBondContact O-N 3.47Å; I278-M281 PolarHBondContact O-N 3.38Å; M281-N283 PolarHBondContact O-N 3.06Å; M281-L287 HydrophobicContact CB-CD2 4.5Å; M281-L287 HydrophobicContact CE-CD1 4.19Å; M281-L287 HydrophobicContact CE-CD2 4.04Å; M281-L287 HydrophobicContact CG-CD1 4.38Å; M281-F423 HydrophobicContact CG-CD2 3.72Å; M281-F423 HydrophobicContact CG-CE2 3.63Å; M281-F423 HydrophobicContact SD-CD2 4.42Å; M281-L426 HydrophobicContact CE-CD1 3.81Å; M281-L426 HydrophobicContact SD-CD1 3.76Å; M281-L426 HydrophobicContact SD-CD2 3.66Å; M281-L426 HydrophobicContact SD-CG 4.4Å; M281-N447 VanDerWaalsContact CE-C 3.47Å
282	K	91.7	Very high	96.2	Very high	28 Å²	28	34.9 Å²	34.9	12%	0.122	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.9	172	171.9	-178.8	155.7	-83.4	0	113.1	P250 S251 N256 Q258 I278 N280 R284	P250-K282 HydrophobicContact CG-CB 3.89Å; P250-K282 HydrophobicContact CG-CD 4.18Å; P250-K282 HydrophobicContact CG-CG 4.09Å; S251-K282 WeakPolarHBondContact OG-CD 3.47Å; S251-K282 WeakPolarHBondContact OG-CE 3.36Å; N256-K282 VanDerWaalsContact OD1-CE 3.23Å; N256-K282 WeakPolarHBondContact OD1-CE 3.41Å; Q258-K282 HydrophobicContact CB-CD 4.2Å; I278-K282 PolarHBondContact O-N 3.25Å; I278-K282 VanDerWaalsContact O-N 3.08Å; N280-K282 VanDerWaalsContact C-N 3.26Å; N280-K282 PolarHBondContact O-N 3.41Å; K282-R284 PolarHBondContact O-N 3.22Å
283	N	89.6	Confident	96.2	Very high	67 Å²	67	40.6 Å²	40.6	36%	0.358	20%	0.197	S	C	.	.	S	Bend	trans	-88.7	103.5	179.3	179.8	-22.5	0	0	0	109.3	N280 M281 P285 W286 L287	N280-N283 PolarHBondContact O-N 3Å; M281-N283 PolarHBondContact O-N 3.06Å; N283-P285 VanDerWaalsContact OD1-CD 3.29Å; N283-P285 WeakPolarHBondContact OD1-CD 3.33Å; N283-W286 HydrophobicContact CB-CB 3.71Å; N283-W286 WeakPolarHBondContact O-CB 3.33Å; N283-W286 PolarHBondContact O-N 3.3Å; N283-W286 WeakPolarHBondContact OD1-CB 3.39Å; N283-W286 PolarHBondContact OD1-N 3.36Å; N283-L287 PolarHBondContact O-N 3.35Å
284	R	91.8	Very high	96.3	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-45.8	-173.2	-65.4	-77.7	165.5	156.9	-15.5	112.9	H249 K282 W286 L287 F288 E445 N447 D450	H249-R284 PolarHBondContact CD2-NH2 3.21Å; H249-R284 PolarHBondContact NE2-NH2 2.98Å; K282-R284 PolarHBondContact O-N 3.22Å; R284-W286 PolarHBondContact O-N 2.72Å; R284-L287 PolarHBondContact O-N 2.88Å; R284-F288 WeakPolarHBondContact O-CB 3.24Å; R284-F288 PolarHBondContact O-N 3.46Å; R284-E445 IonicContact CZ-OE1 2.6Å; R284-E445 VanDerWaalsContact NH1-CD 3.29Å; R284-E445 IonicContact NH1-OE1 3.83Å; R284-E445 PolarHBondContact NH1-OE1 2.84Å; R284-N447 PolarHBondContact NH1-OD1 3.46Å; R284-N447 PolarHBondContact NH2-OD1 3.27Å; R284-D450 IonicContact NH2-OD2 2.87Å; R284-D450 PolarHBondContact NH2-OD2 3.21Å; R284-D450 VanDerWaalsContact NH2-OD2 3.09Å
285	P	93.8	Very high	96.3	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-38.9	169.3	-28.2	34.3	0	0	0	115	N283 F288 A289 Y310 Y360 T362	N283-P285 VanDerWaalsContact OD1-CD 3.29Å; N283-P285 WeakPolarHBondContact OD1-CD 3.33Å; P285-F288 PolarHBondContact O-N 3.43Å; P285-A289 PolarHBondContact O-N 3.14Å; P285-Y310 HydrophobicContact CB-CD2 3.66Å; P285-Y310 HydrophobicContact CB-CE2 3.71Å; P285-Y310 HydrophobicContact CG-CD2 3.87Å; P285-Y310 HydrophobicContact CG-CE2 3.77Å; P285-Y360 WeakPolarHBondContact CD-OH 3.25Å; P285-Y360 HydrophobicContact CG-CD1 4.48Å; P285-Y360 HydrophobicContact CG-CD2 3.68Å; P285-Y360 HydrophobicContact CG-CE1 4.12Å; P285-Y360 HydrophobicContact CG-CE2 3.31Å; P285-Y360 HydrophobicContact CG-CG 4.29Å; P285-T362 HydrophobicContact CG-CG2 4.28Å
286	W	95.4	Very high	96.3	Very high	122 Å²	122	46.5 Å²	46.5	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-45	177.4	-179.6	-100.8	0	0	0	111.8	N280 N283 R284 F288 A289 H290 F423	N280-W286 PolarHBondContact OD1-NE1 3.26Å; N283-W286 HydrophobicContact CB-CB 3.71Å; N283-W286 WeakPolarHBondContact O-CB 3.33Å; N283-W286 PolarHBondContact O-N 3.3Å; N283-W286 WeakPolarHBondContact OD1-CB 3.39Å; N283-W286 PolarHBondContact OD1-N 3.36Å; R284-W286 PolarHBondContact O-N 2.72Å; W286-F288 VanDerWaalsContact C-N 3.31Å; W286-F288 PolarHBondContact O-N 2.97Å; W286-A289 WeakPolarHBondContact O-CB 3.42Å; W286-A289 PolarHBondContact O-N 3.15Å; W286-H290 AromaticContact NE1-NE2 3.99Å; W286-H290 PolarHBondContact O-CD2 3.03Å; W286-H290 PolarHBondContact O-N 3.11Å; W286-F423 AromaticContact NE1-CE1 3.95Å
287	L	96.3	Very high	96.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-44.4	170.2	174.1	57.9	0	0	0	111.2	M281 N283 R284 A289 H290 L291 L422 F423 A446	M281-L287 HydrophobicContact CB-CD2 4.5Å; M281-L287 HydrophobicContact CE-CD1 4.19Å; M281-L287 HydrophobicContact CE-CD2 4.04Å; M281-L287 HydrophobicContact CG-CD1 4.38Å; N283-L287 PolarHBondContact O-N 3.35Å; R284-L287 PolarHBondContact O-N 2.88Å; L287-A289 VanDerWaalsContact C-N 3.31Å; L287-A289 PolarHBondContact O-N 3.38Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.28Å; L287-H290 VanDerWaalsContact O-N 3.09Å; L287-L291 PolarHBondContact O-N 2.99Å; L287-L422 HydrophobicContact CD1-CD1 4.02Å; L287-F423 HydrophobicContact CD1-CE2 3.95Å; L287-F423 HydrophobicContact CD1-CZ 4.42Å; L287-A446 HydrophobicContact CD2-CB 4.41Å; L287-A446 VanDerWaalsContact CD2-O 3.31Å; L287-A446 WeakPolarHBondContact CD2-O 3.22Å
288	F	97.5	Very high	96.4	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-34.1	177.4	-160.1	-85.9	0	0	0	112.7	R284 P285 W286 H290 L291 L292 L305 I306 Q308	R284-F288 WeakPolarHBondContact O-CB 3.24Å; R284-F288 PolarHBondContact O-N 3.46Å; P285-F288 PolarHBondContact O-N 3.43Å; W286-F288 VanDerWaalsContact C-N 3.31Å; W286-F288 PolarHBondContact O-N 2.97Å; F288-H290 VanDerWaalsContact C-N 3.33Å; F288-H290 PolarHBondContact O-N 3.47Å; F288-L291 HydrophobicContact CD2-CD1 4.36Å; F288-L291 WeakPolarHBondContact O-CB 3.18Å; F288-L291 PolarHBondContact O-N 3.43Å; F288-L291 VanDerWaalsContact O-N 3.14Å; F288-L292 HydrophobicContact CD1-CD1 3.83Å; F288-L292 HydrophobicContact CD1-CG 3.91Å; F288-L292 HydrophobicContact CE1-CD1 4.04Å; F288-L292 HydrophobicContact CE1-CD2 4.06Å; F288-L292 HydrophobicContact CE1-CG 3.89Å; F288-L292 WeakPolarHBondContact O-CG 3.5Å; F288-L292 PolarHBondContact O-N 2.85Å; F288-L305 HydrophobicContact CD2-CD1 4.41Å; F288-L305 HydrophobicContact CE1-CD2 3.91Å; F288-L305 HydrophobicContact CE1-CG 4.24Å; F288-L305 HydrophobicContact CE2-CD1 3.7Å; F288-L305 HydrophobicContact CE2-CD2 4.42Å; F288-L305 HydrophobicContact CE2-CG 4.12Å; F288-L305 HydrophobicContact CZ-CD1 3.82Å; F288-L305 HydrophobicContact CZ-CD2 3.86Å; F288-L305 HydrophobicContact CZ-CG 3.68Å; F288-I306 HydrophobicContact CE2-CG2 4.09Å; F288-I306 HydrophobicContact CZ-CG2 3.95Å; F288-Q308 HydrophobicContact CD1-CB 4.45Å; F288-Q308 HydrophobicContact CE1-CB 3.64Å; F288-Q308 HydrophobicContact CE1-CG 4.47Å; F288-Q308 HydrophobicContact CE2-CB 4.26Å; F288-Q308 HydrophobicContact CZ-CB 3.52Å; F288-Q308 HydrophobicContact CZ-CG 4.43Å
289	A	97.9	Very high	96.4	Very high	43 Å²	43	51.4 Å²	51.4	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-38.4	171.8	0	0	0	0	0	112.3	P285 W286 L287 L292 M293	P285-A289 PolarHBondContact O-N 3.14Å; W286-A289 WeakPolarHBondContact O-CB 3.42Å; W286-A289 PolarHBondContact O-N 3.15Å; L287-A289 VanDerWaalsContact C-N 3.31Å; L287-A289 PolarHBondContact O-N 3.38Å; A289-L292 WeakPolarHBondContact O-CB 3.31Å; A289-L292 PolarHBondContact O-N 3.28Å; A289-M293 WeakPolarHBondContact O-CG 3.47Å; A289-M293 PolarHBondContact O-N 3.01Å
290	H	98.3	Very high	96.4	Very high	46 Å²	46	52.6 Å²	52.6	21%	0.213	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-34.6	171.6	-80.5	-86.1	0	0	0	113	W286 L287 F288 L292 M293 I294 L422 F423	W286-H290 AromaticContact NE1-NE2 3.99Å; W286-H290 PolarHBondContact O-CD2 3.03Å; W286-H290 PolarHBondContact O-N 3.11Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.28Å; L287-H290 VanDerWaalsContact O-N 3.09Å; F288-H290 VanDerWaalsContact C-N 3.33Å; F288-H290 PolarHBondContact O-N 3.47Å; H290-L292 VanDerWaalsContact C-N 3.34Å; H290-M293 WeakPolarHBondContact O-CB 3.25Å; H290-M293 PolarHBondContact O-N 2.98Å; H290-I294 PolarHBondContact O-N 2.7Å; H290-I294 VanDerWaalsContact O-N 3.15Å; H290-L422 HydrophobicContact CB-CD1 4.27Å; H290-L422 HydrophobicContact CB-CD2 3.9Å; H290-F423 HydrophobicContact CB-CZ 4.28Å; H290-F423 AromaticContact CD2-CE1 3.52Å; H290-F423 AromaticContact CD2-CZ 3.59Å; H290-F423 AromaticContact CE1-CE1 3.94Å; H290-F423 AromaticContact CG-CE1 3.97Å; H290-F423 AromaticContact CG-CZ 3.85Å; H290-F423 AromaticContact NE2-CE1 3.5Å
291	L	98.5	Very high	96.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-38.1	170.5	-56.7	-176.9	0	0	0	111.6	L287 F288 M293 I294 R295 F303 L305 V419 L422 A446	L287-L291 PolarHBondContact O-N 2.99Å; F288-L291 HydrophobicContact CD2-CD1 4.36Å; F288-L291 WeakPolarHBondContact O-CB 3.18Å; F288-L291 PolarHBondContact O-N 3.43Å; F288-L291 VanDerWaalsContact O-N 3.14Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 3.47Å; L291-I294 HydrophobicContact CD2-CD1 4.32Å; L291-I294 PolarHBondContact O-N 3.45Å; L291-R295 PolarHBondContact O-N 3.08Å; L291-F303 HydrophobicContact CB-CE1 4.34Å; L291-F303 HydrophobicContact CD2-CZ 4.25Å; L291-L305 VanDerWaalsContact C-CD2 3.49Å; L291-L305 HydrophobicContact CB-CD1 3.84Å; L291-L305 HydrophobicContact CB-CD2 3.67Å; L291-L305 HydrophobicContact CB-CG 4.43Å; L291-L305 HydrophobicContact CD1-CD1 3.91Å; L291-V419 HydrophobicContact CD2-CG2 3.97Å; L291-L422 HydrophobicContact CD2-CD1 4.27Å; L291-A446 HydrophobicContact CD1-CB 4.2Å; L291-A446 HydrophobicContact CD2-CB 4.2Å
292	L	98.3	Very high	96.6	Very high	47 Å²	47	62.1 Å²	62.1	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-36.6	173.6	-72.3	166.4	0	0	0	111.5	F288 A289 H290 R295 N296 L305	F288-L292 HydrophobicContact CD1-CD1 3.83Å; F288-L292 HydrophobicContact CD1-CG 3.91Å; F288-L292 HydrophobicContact CE1-CD1 4.04Å; F288-L292 HydrophobicContact CE1-CD2 4.06Å; F288-L292 HydrophobicContact CE1-CG 3.89Å; F288-L292 WeakPolarHBondContact O-CG 3.5Å; F288-L292 PolarHBondContact O-N 2.85Å; A289-L292 WeakPolarHBondContact O-CB 3.31Å; A289-L292 PolarHBondContact O-N 3.28Å; H290-L292 VanDerWaalsContact C-N 3.34Å; L292-R295 PolarHBondContact O-N 3.3Å; L292-N296 WeakPolarHBondContact O-CB 3.4Å; L292-N296 PolarHBondContact O-N 3.4Å; L292-N296 PolarHBondContact O-ND2 3.44Å; L292-N296 PolarHBondContact O-OD1 3.49Å; L292-L305 HydrophobicContact CB-CD2 4.44Å; L292-L305 HydrophobicContact CD2-CD2 3.78Å; L292-L305 HydrophobicContact CG-CD2 3.89Å
293	M	98.2	Very high	96.9	Very high	121 Å²	121	60.8 Å²	60.8	60%	0.596	30%	0.297	S	S	*	.	H	α-helix	trans	-64.4	-42	172.7	-65	173	74	0	0	112.4	A289 H290 L291 N296 R297	A289-M293 WeakPolarHBondContact O-CG 3.47Å; A289-M293 PolarHBondContact O-N 3.01Å; H290-M293 WeakPolarHBondContact O-CB 3.25Å; H290-M293 PolarHBondContact O-N 2.98Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 3.47Å; M293-N296 PolarHBondContact O-N 3.01Å; M293-R297 PolarHBondContact O-N 3.22Å; M293-R297 VanDerWaalsContact O-N 3.12Å
294	I	98.6	Very high	97.3	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-48.9	175.1	-64.5	164.6	0	0	0	110.2	H290 L291 N296 R297 L298 F303 E418 L422	H290-I294 PolarHBondContact O-N 2.7Å; H290-I294 VanDerWaalsContact O-N 3.15Å; L291-I294 HydrophobicContact CD2-CD1 4.32Å; L291-I294 PolarHBondContact O-N 3.45Å; I294-N296 VanDerWaalsContact C-N 3.32Å; I294-N296 PolarHBondContact O-N 2.88Å; I294-R297 PolarHBondContact O-N 3.29Å; I294-R297 VanDerWaalsContact O-N 3.16Å; I294-L298 HydrophobicContact CG2-CD1 3.83Å; I294-L298 HydrophobicContact CG2-CG 4.42Å; I294-L298 PolarHBondContact O-N 3.27Å; I294-F303 HydrophobicContact CB-CD1 4.38Å; I294-F303 HydrophobicContact CB-CE1 4.19Å; I294-F303 HydrophobicContact CB-CZ 4.28Å; I294-F303 HydrophobicContact CD1-CZ 4.46Å; I294-F303 HydrophobicContact CG2-CB 4.48Å; I294-F303 HydrophobicContact CG2-CD1 3.95Å; I294-F303 HydrophobicContact CG2-CD2 3.62Å; I294-F303 HydrophobicContact CG2-CE1 4.01Å; I294-F303 HydrophobicContact CG2-CE2 3.69Å; I294-F303 HydrophobicContact CG2-CG 3.76Å; I294-F303 HydrophobicContact CG2-CZ 3.88Å; I294-E418 HydrophobicContact CD1-CB 4.11Å; I294-E418 HydrophobicContact CG1-CB 4.5Å; I294-E418 HydrophobicContact CG2-CB 3.88Å; I294-E418 HydrophobicContact CG2-CG 4.14Å; I294-L422 HydrophobicContact CD1-CD1 4.28Å; I294-L422 HydrophobicContact CD1-CD2 4.04Å; I294-L422 HydrophobicContact CD1-CG 4.32Å
295	R	98.4	Very high	97.6	Very high	54 Å²	54	57.4 Å²	57.4	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-54.8	-45.6	174.7	-175.5	-157	67.7	-174.1	-2.4	112	L291 L292 R297 L298 G299 F303 L305	L291-R295 PolarHBondContact O-N 3.08Å; L292-R295 PolarHBondContact O-N 3.3Å; R295-R297 VanDerWaalsContact C-N 3.28Å; R295-R297 PolarHBondContact O-N 3.19Å; R295-L298 PolarHBondContact O-N 3.19Å; R295-G299 WeakPolarHBondContact O-CA 3.45Å; R295-G299 PolarHBondContact O-N 3.36Å; R295-F303 HydrophobicContact CB-CD1 4.03Å; R295-L305 HydrophobicContact CB-CB 4.23Å; R295-L305 HydrophobicContact CB-CD2 4.39Å; R295-L305 HydrophobicContact CG-CB 4.26Å
296	N	98.1	Very high	97.8	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	28%	0.278	S	S	*	.	H	α-helix	trans	-66.1	-30.4	-178.5	-69.9	-3.3	0	0	0	112.5	L292 M293 I294	L292-N296 WeakPolarHBondContact O-CB 3.4Å; L292-N296 PolarHBondContact O-N 3.4Å; L292-N296 PolarHBondContact O-ND2 3.44Å; L292-N296 PolarHBondContact O-OD1 3.49Å; M293-N296 PolarHBondContact O-N 3.01Å; I294-N296 VanDerWaalsContact C-N 3.32Å; I294-N296 PolarHBondContact O-N 2.88Å
297	R	98.4	Very high	97.8	Very high	148 Å²	148	54.6 Å²	54.6	56%	0.558	28%	0.282	S	S	*	.	H	α-helix	trans	-80.2	-36.4	175.9	174.5	170.4	52.2	83.3	-3.8	113.5	M293 I294 R295 E418	M293-R297 PolarHBondContact O-N 3.22Å; M293-R297 VanDerWaalsContact O-N 3.12Å; I294-R297 PolarHBondContact O-N 3.29Å; I294-R297 VanDerWaalsContact O-N 3.16Å; R295-R297 VanDerWaalsContact C-N 3.28Å; R295-R297 PolarHBondContact O-N 3.19Å; R297-E418 IonicContact CZ-OE1 3.89Å; R297-E418 IonicContact CZ-OE2 2.74Å; R297-E418 IonicContact NH1-OE1 3.43Å; R297-E418 PolarHBondContact NH1-OE1 3.25Å; R297-E418 IonicContact NH1-OE2 3.3Å; R297-E418 IonicContact NH2-OE1 2.7Å; R297-E418 PolarHBondContact NH2-OE1 3.16Å; R297-E418 IonicContact NH2-OE2 3.76Å; R297-E418 PolarHBondContact NH2-OE2 2.8Å
298	L	98.3	Very high	97.7	Very high	38 Å²	38	56 Å²	56	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-97.4	-17.6	-173.8	-65.5	-177.2	0	0	0	114.5	I294 R295 N302 F303 L414 E418	I294-L298 HydrophobicContact CG2-CD1 3.83Å; I294-L298 HydrophobicContact CG2-CG 4.42Å; I294-L298 PolarHBondContact O-N 3.27Å; R295-L298 PolarHBondContact O-N 3.19Å; L298-N302 HydrophobicContact CB-CB 4.09Å; L298-N302 WeakPolarHBondContact O-CB 3.24Å; L298-N302 PolarHBondContact O-ND2 3.1Å; L298-F303 HydrophobicContact CB-CB 4.19Å; L298-F303 HydrophobicContact CD1-CB 4.19Å; L298-F303 HydrophobicContact CD1-CD2 4.47Å; L298-L414 HydrophobicContact CD1-CD1 4.25Å; L298-L414 HydrophobicContact CD1-CD2 4.4Å; L298-L414 HydrophobicContact CD1-CG 4.38Å; L298-E418 HydrophobicContact CD1-CG 3.88Å
299	G	98	Very high	97.6	Very high	33 Å²	33	58.4 Å²	58.4	34%	0.34	30%	0.304	S	S	.	.			trans	81.4	158.5	-169.6	0	0	0	0	0	112.8	R295 E301 N302 F303	R295-G299 WeakPolarHBondContact O-CA 3.45Å; R295-G299 PolarHBondContact O-N 3.36Å; G299-E301 PolarHBondContact O-N 2.86Å; G299-N302 PolarHBondContact O-N 3.45Å; G299-F303 PolarHBondContact O-N 3.19Å
300	K	96.6	Very high	97.5	Very high	132 Å²	132	62 Å²	62	57%	0.574	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-42.1	-176.8	-66.4	-177.7	-179.3	180	0	112.2	N302 F303 P304	K300-N302 VanDerWaalsContact C-N 3.29Å; K300-N302 PolarHBondContact O-N 3.49Å; K300-F303 CarbonylContact O-C 3.5Å; K300-F303 PolarHBondContact O-N 3.02Å; K300-P304 WeakPolarHBondContact O-CA 3.15Å; K300-P304 WeakPolarHBondContact O-CB 3.48Å
301	E	96.2	Very high	97.4	Very high	147 Å²	147	60.5 Å²	60.5	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.2	-177.1	-44.8	-38.2	118.5	0	0	112.6	G299 K411	G299-E301 PolarHBondContact O-N 2.86Å; E301-K411 WeakPolarHBondContact O-CE 3.46Å; E301-K411 PolarHBondContact O-NZ 2.99Å
302	N	97.8	Very high	97.1	Very high	86 Å²	86	64.8 Å²	64.8	46%	0.46	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-38	-178.8	-66.6	-45.8	0	0	0	112	L298 G299 K300 L414 W415	L298-N302 HydrophobicContact CB-CB 4.09Å; L298-N302 WeakPolarHBondContact O-CB 3.24Å; L298-N302 PolarHBondContact O-ND2 3.1Å; G299-N302 PolarHBondContact O-N 3.45Å; K300-N302 VanDerWaalsContact C-N 3.29Å; K300-N302 PolarHBondContact O-N 3.49Å; N302-L414 HydrophobicContact CB-CD2 4.4Å; N302-W415 PolarHBondContact O-NE1 3.42Å
303	F	98.5	Very high	96.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-133.1	81.7	-179.9	-164	-90.2	0	0	0	110.3	L291 I294 R295 L298 G299 K300 L305 W415 I431 I443	L291-F303 HydrophobicContact CB-CE1 4.34Å; L291-F303 HydrophobicContact CD2-CZ 4.25Å; I294-F303 HydrophobicContact CB-CD1 4.38Å; I294-F303 HydrophobicContact CB-CE1 4.19Å; I294-F303 HydrophobicContact CB-CZ 4.28Å; I294-F303 HydrophobicContact CD1-CZ 4.46Å; I294-F303 HydrophobicContact CG2-CB 4.48Å; I294-F303 HydrophobicContact CG2-CD1 3.95Å; I294-F303 HydrophobicContact CG2-CD2 3.62Å; I294-F303 HydrophobicContact CG2-CE1 4.01Å; I294-F303 HydrophobicContact CG2-CE2 3.69Å; I294-F303 HydrophobicContact CG2-CG 3.76Å; I294-F303 HydrophobicContact CG2-CZ 3.88Å; R295-F303 HydrophobicContact CB-CD1 4.03Å; L298-F303 HydrophobicContact CB-CB 4.19Å; L298-F303 HydrophobicContact CD1-CB 4.19Å; L298-F303 HydrophobicContact CD1-CD2 4.47Å; G299-F303 PolarHBondContact O-N 3.19Å; K300-F303 CarbonylContact O-C 3.5Å; K300-F303 PolarHBondContact O-N 3.02Å; F303-L305 VanDerWaalsContact C-N 3.27Å; F303-L305 HydrophobicContact CD1-CB 4.16Å; F303-L305 HydrophobicContact CE1-CB 4.2Å; F303-L305 HydrophobicContact CE1-CD1 4.43Å; F303-L305 PolarHBondContact O-N 3.16Å; F303-W415 AromaticContact CD2-CD1 3.71Å; F303-W415 HydrophobicContact CD2-CG 4.3Å; F303-W415 HydrophobicContact CE2-CB 4.31Å; F303-W415 HydrophobicContact CE2-CG 4.46Å; F303-I431 HydrophobicContact CE2-CD1 3.81Å; F303-I431 HydrophobicContact CZ-CD1 3.76Å; F303-I443 HydrophobicContact CD1-CD1 4.04Å; F303-I443 HydrophobicContact CD2-CD1 3.95Å; F303-I443 HydrophobicContact CE1-CD1 4.01Å; F303-I443 HydrophobicContact CE2-CD1 3.92Å; F303-I443 HydrophobicContact CG-CD1 4.01Å; F303-I443 HydrophobicContact CZ-CD1 3.95Å
304	P	98.2	Very high	96.5	Very high	22 Å²	22	60 Å²	60	14%	0.143	30%	0.303	C	S	.	.			trans	-81.5	72.3	-169.3	33.7	-37.5	0	0	0	111.5	K300 W415 Y441 F442 I443	K300-P304 WeakPolarHBondContact O-CA 3.15Å; K300-P304 WeakPolarHBondContact O-CB 3.48Å; P304-W415 HydrophobicContact CG-CH2 4.34Å; P304-W415 HydrophobicContact CG-CZ2 3.68Å; P304-Y441 VanDerWaalsContact CB-O 3.22Å; P304-Y441 WeakPolarHBondContact CB-O 3.4Å; P304-Y441 VanDerWaalsContact CG-O 3.27Å; P304-Y441 WeakPolarHBondContact CG-O 3.47Å; P304-F442 CarbonylContact O-C 3.17Å; P304-F442 WeakPolarHBondContact O-CA 3.44Å; P304-I443 HydrophobicContact CG-CD1 4.42Å; P304-I443 PolarHBondContact O-N 2.9Å
305	L	98.5	Very high	96.3	Very high	10 Å²	10	66 Å²	66	5%	0.052	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-73.2	131.9	174.2	-173.3	73.1	0	0	0	111.1	F288 L291 L292 R295 F303 I443	F288-L305 HydrophobicContact CD2-CD1 4.41Å; F288-L305 HydrophobicContact CE1-CD2 3.91Å; F288-L305 HydrophobicContact CE1-CG 4.24Å; F288-L305 HydrophobicContact CE2-CD1 3.7Å; F288-L305 HydrophobicContact CE2-CD2 4.42Å; F288-L305 HydrophobicContact CE2-CG 4.12Å; F288-L305 HydrophobicContact CZ-CD1 3.82Å; F288-L305 HydrophobicContact CZ-CD2 3.86Å; F288-L305 HydrophobicContact CZ-CG 3.68Å; L291-L305 VanDerWaalsContact C-CD2 3.49Å; L291-L305 HydrophobicContact CB-CD1 3.84Å; L291-L305 HydrophobicContact CB-CD2 3.67Å; L291-L305 HydrophobicContact CB-CG 4.43Å; L291-L305 HydrophobicContact CD1-CD1 3.91Å; L292-L305 HydrophobicContact CB-CD2 4.44Å; L292-L305 HydrophobicContact CD2-CD2 3.78Å; L292-L305 HydrophobicContact CG-CD2 3.89Å; R295-L305 HydrophobicContact CB-CB 4.23Å; R295-L305 HydrophobicContact CB-CD2 4.39Å; R295-L305 HydrophobicContact CG-CB 4.26Å; F303-L305 VanDerWaalsContact C-N 3.27Å; F303-L305 HydrophobicContact CD1-CB 4.16Å; F303-L305 HydrophobicContact CE1-CB 4.2Å; F303-L305 HydrophobicContact CE1-CD1 4.43Å; F303-L305 PolarHBondContact O-N 3.16Å; L305-I443 HydrophobicContact CD1-CB 4.18Å; L305-I443 HydrophobicContact CD1-CG2 3.78Å
306	I	97.2	Very high	96.1	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.015	34%	0.339	C	S	.	.			trans	-57.1	147.9	-178.8	-162.7	167.2	0	0	0	112.4	F288 Q308 E364 I367 I443	F288-I306 HydrophobicContact CE2-CG2 4.09Å; F288-I306 HydrophobicContact CZ-CG2 3.95Å; I306-Q308 VanDerWaalsContact C-N 3.33Å; I306-Q308 HydrophobicContact CG2-CB 4.49Å; I306-Q308 PolarHBondContact O-N 3.36Å; I306-E364 HydrophobicContact CD1-CB 4.11Å; I306-E364 HydrophobicContact CD1-CG 4.1Å; I306-E364 HydrophobicContact CG1-CB 4.32Å; I306-I367 HydrophobicContact CD1-CD1 4.39Å; I306-I367 HydrophobicContact CD1-CG1 3.92Å; I306-I443 WeakPolarHBondContact CB-O 3.47Å; I306-I443 WeakPolarHBondContact CG2-O 3.37Å; I306-I443 PolarHBondContact N-O 2.94Å
307	S	95.7	Very high	95.8	Very high	78 Å²	78	62.3 Å²	62.3	55%	0.545	31%	0.31	S	S	.	.			trans	-75.5	79.4	177.3	-62.8	0	0	0	0	111.3	P365	S307-P365 WeakPolarHBondContact O-CD 3.43Å
308	Q	95.2	Very high	95.3	Very high	34 Å²	34	58.3 Å²	58.3	16%	0.159	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-93.6	134.4	175.7	-170	-178.7	107.3	0	0	111.7	F288 I306 T362 T363 E364	F288-Q308 HydrophobicContact CD1-CB 4.45Å; F288-Q308 HydrophobicContact CE1-CB 3.64Å; F288-Q308 HydrophobicContact CE1-CG 4.47Å; F288-Q308 HydrophobicContact CE2-CB 4.26Å; F288-Q308 HydrophobicContact CZ-CB 3.52Å; F288-Q308 HydrophobicContact CZ-CG 4.43Å; I306-Q308 VanDerWaalsContact C-N 3.33Å; I306-Q308 HydrophobicContact CG2-CB 4.49Å; I306-Q308 PolarHBondContact O-N 3.36Å; Q308-T362 VanDerWaalsContact CD-OG1 3.26Å; Q308-T362 HydrophobicContact CG-CG2 4.49Å; Q308-T362 PolarHBondContact OE1-OG1 2.91Å; Q308-T363 WeakPolarHBondContact CA-O 3.39Å; Q308-E364 HydrophobicContact CB-CB 4.2Å; Q308-E364 HydrophobicContact CG-CB 4.31Å; Q308-E364 PolarHBondContact NE2-OE2 2.92Å
309	T	95.7	Very high	94.8	Very high	63 Å²	63	62.1 Å²	62.1	39%	0.387	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.1	167.5	-54.3	0	0	0	0	109.4	T362 T363	T309-T362 CarbonylContact O-C 3.57Å; T309-T362 WeakPolarHBondContact O-CA 3.37Å; T309-T362 VanDerWaalsContact O-CB 3.31Å; T309-T362 WeakPolarHBondContact O-CB 3.25Å; T309-T363 PolarHBondContact N-O 3.37Å; T309-T363 PolarHBondContact O-N 3.14Å
310	Y	95.7	Very high	94.4	Very high	119 Å²	119	60.9 Å²	60.9	47%	0.467	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.2	173.1	170	-94.5	0	0	0	110.6	P285 T312 Y360 T362	P285-Y310 HydrophobicContact CB-CD2 3.66Å; P285-Y310 HydrophobicContact CB-CE2 3.71Å; P285-Y310 HydrophobicContact CG-CD2 3.87Å; P285-Y310 HydrophobicContact CG-CE2 3.77Å; Y310-T312 HydrophobicContact CE1-CG2 3.79Å; Y310-Y360 HydrophobicContact CD2-CD2 4.48Å; Y310-Y360 AromaticContact CE2-CD2 3.96Å; Y310-Y360 HydrophobicContact CE2-CD2 3.96Å; Y310-Y360 AromaticContact CE2-CG 3.79Å; Y310-Y360 HydrophobicContact CE2-CG 3.79Å; Y310-T362 HydrophobicContact CD2-CG2 3.93Å
311	H	95	Very high	93.7	Very high	15 Å²	15	59.4 Å²	59.4	7%	0.069	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.9	178	-54.6	-84.2	0	0	0	108.7	S313 E316 M317 Y360 A361 T363	H311-S313 PolarHBondContact O-N 3.26Å; H311-E316 HydrophobicContact CB-CB 4.3Å; H311-M317 HydrophobicContact CB-CG 3.72Å; H311-M317 HydrophobicContact CB-SD 4.28Å; H311-M317 VanDerWaalsContact CG-CG 3.49Å; H311-Y360 WeakPolarHBondContact O-CA 3.5Å; H311-Y360 WeakPolarHBondContact O-CB 3.38Å; H311-A361 PolarHBondContact N-O 3.19Å; H311-A361 PolarHBondContact O-N 2.8Å; H311-A361 VanDerWaalsContact O-O 3.14Å; H311-T363 WeakPolarHBondContact NE2-CG2 3.47Å; H311-T363 PolarHBondContact NE2-OG1 3.01Å
312	T	93.2	Very high	93.5	Very high	90 Å²	90	54.7 Å²	54.7	55%	0.552	31%	0.31	S	S	*	.	S	Bend	trans	-62.3	-30.5	179.2	29.4	0	0	0	0	113.1	Y310 E316	Y310-T312 HydrophobicContact CE1-CG2 3.79Å; T312-E316 PolarHBondContact OG1-OE2 3.38Å
313	S	92.1	Very high	93.3	Very high	16 Å²	16	54.1 Å²	54.1	11%	0.112	30%	0.304	C	S	.	.	S	Bend	trans	-157.1	179	178.1	73.7	0	0	0	0	110.2	H311 K315 E316	H311-S313 PolarHBondContact O-N 3.26Å; S313-K315 PolarHBondContact O-N 3.12Å; S313-K315 WeakPolarHBondContact OG-CB 3.42Å; S313-K315 WeakPolarHBondContact OG-CG 3.18Å; S313-K315 PolarHBondContact OG-N 3.36Å; S313-K315 VanDerWaalsContact OG-N 3.12Å; S313-E316 WeakPolarHBondContact CA-OE2 3.35Å; S313-E316 WeakPolarHBondContact CB-OE2 3.47Å; S313-E316 PolarHBondContact N-OE2 2.74Å; S313-E316 PolarHBondContact OG-OE1 3Å; S313-E316 PolarHBondContact OG-OE2 2.87Å
314	Y	92.1	Very high	93.2	Very high	51 Å²	51	56.2 Å²	56.2	20%	0.2	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.1	-22.4	170.1	72.6	-87.7	0	0	0	113.6	E316 M317 I355	Y314-E316 VanDerWaalsContact C-N 3.29Å; Y314-E316 PolarHBondContact O-N 3.22Å; Y314-M317 WeakPolarHBondContact O-CB 3.45Å; Y314-M317 PolarHBondContact O-N 3.47Å; Y314-M317 VanDerWaalsContact O-N 3.14Å; Y314-I355 HydrophobicContact CD2-CG1 3.73Å; Y314-I355 HydrophobicContact CE1-CB 4.47Å; Y314-I355 HydrophobicContact CE1-CG2 4.44Å; Y314-I355 HydrophobicContact CE2-CB 4.45Å; Y314-I355 HydrophobicContact CE2-CD1 4.49Å; Y314-I355 HydrophobicContact CE2-CG1 3.69Å; Y314-I355 HydrophobicContact CG-CG1 4.18Å
315	K	93.4	Very high	93.1	Very high	134 Å²	134	55.2 Å²	55.2	58%	0.583	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68	-30	-173.8	-60	172.7	-176.2	173.1	0	112.8	S313 M317	S313-K315 PolarHBondContact O-N 3.12Å; S313-K315 WeakPolarHBondContact OG-CB 3.42Å; S313-K315 WeakPolarHBondContact OG-CG 3.18Å; S313-K315 PolarHBondContact OG-N 3.36Å; S313-K315 VanDerWaalsContact OG-N 3.12Å; K315-M317 VanDerWaalsContact C-N 3.28Å
316	E	93.3	Very high	92.9	Very high	89 Å²	89	55.1 Å²	55.1	42%	0.416	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-79.2	-15.1	178.2	-67.5	70.6	-119.3	0	0	111.9	H311 T312 S313 Y314 A318	H311-E316 HydrophobicContact CB-CB 4.3Å; T312-E316 PolarHBondContact OG1-OE2 3.38Å; S313-E316 WeakPolarHBondContact CA-OE2 3.35Å; S313-E316 WeakPolarHBondContact CB-OE2 3.47Å; S313-E316 PolarHBondContact N-OE2 2.74Å; S313-E316 PolarHBondContact OG-OE1 3Å; S313-E316 PolarHBondContact OG-OE2 2.87Å; Y314-E316 VanDerWaalsContact C-N 3.29Å; Y314-E316 PolarHBondContact O-N 3.22Å; E316-A318 PolarHBondContact O-N 3.03Å
317	M	92.6	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.			trans	-82.9	35.9	-171.6	-61.9	-169.2	64.8	0	0	114.1	H311 Y314 K315 V319 V327 Y347 V351 M354 A361 T363	H311-M317 HydrophobicContact CB-CG 3.72Å; H311-M317 HydrophobicContact CB-SD 4.28Å; H311-M317 VanDerWaalsContact CG-CG 3.49Å; Y314-M317 WeakPolarHBondContact O-CB 3.45Å; Y314-M317 PolarHBondContact O-N 3.47Å; Y314-M317 VanDerWaalsContact O-N 3.14Å; K315-M317 VanDerWaalsContact C-N 3.28Å; M317-V319 PolarHBondContact O-N 3.16Å; M317-V327 HydrophobicContact CE-CG1 4.08Å; M317-Y347 WeakPolarHBondContact CB-OH 3.49Å; M317-Y347 HydrophobicContact CE-CE2 3.71Å; M317-Y347 WeakPolarHBondContact CE-OH 3.41Å; M317-Y347 WeakPolarHBondContact O-CE1 3.41Å; M317-Y347 PolarHBondContact O-OH 3.33Å; M317-V351 HydrophobicContact CB-CG1 4.26Å; M317-V351 HydrophobicContact CB-CG2 3.57Å; M317-V351 HydrophobicContact CE-CG2 4.07Å; M317-V351 HydrophobicContact SD-CG2 4.32Å; M317-M354 HydrophobicContact CE-CE 3.69Å; M317-M354 HydrophobicContact SD-CE 3.41Å; M317-M354 WeakPolarHBondContact SD-CE 3.41Å; M317-M354 HydrophobicContact SD-SD 4.19Å; M317-A361 HydrophobicContact CE-CB 4.36Å; M317-A361 HydrophobicContact SD-CB 3.58Å; M317-A361 VanDerWaalsContact SD-CB 3.58Å; M317-T363 HydrophobicContact CE-CG2 3.56Å
318	A	89	Confident	92.6	Very high	64 Å²	64	52.5 Å²	52.5	53%	0.529	29%	0.289	S	S	.	.	S	Bend	trans	-63.2	-37.4	-176.4	0	0	0	0	0	113.8	E316 Q348	E316-A318 PolarHBondContact O-N 3.03Å; A318-Q348 PolarHBondContact O-NE2 3.23Å
319	V	87.6	Confident	92.4	Very high	118 Å²	118	52.6 Å²	52.6	72%	0.715	29%	0.292	S	S	*	.			trans	-142.5	132.4	-176.7	-178.9	0	0	0	0	110.2	M317	M317-V319 PolarHBondContact O-N 3.16Å
320	A	88.7	Confident	91.9	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	28%	0.28	C	S	.	.			trans	-85.5	145	170	0	0	0	0	0	110.9	A322 F323 V325 Y347	A320-A322 VanDerWaalsContact C-N 3.34Å; A320-A322 PolarHBondContact O-N 2.74Å; A320-F323 HydrophobicContact CB-CE1 4.2Å; A320-F323 HydrophobicContact CB-CE2 3.91Å; A320-F323 HydrophobicContact CB-CZ 3.59Å; A320-V325 HydrophobicContact CB-CB 4.5Å; A320-V325 HydrophobicContact CB-CG1 4.11Å; A320-V325 HydrophobicContact CB-CG2 4.49Å; A320-Y347 HydrophobicContact CB-CD1 4.33Å; A320-Y347 HydrophobicContact CB-CD2 4.12Å; A320-Y347 HydrophobicContact CB-CE1 4.06Å; A320-Y347 HydrophobicContact CB-CE2 3.84Å; A320-Y347 HydrophobicContact CB-CG 4.35Å
321	P	82.1	Confident	91	Very high	100 Å²	100	46 Å²	46	65%	0.649	27%	0.266	S	S	*	.	S	Bend	trans	-73.1	-22.7	-173.5	29	-36	0	0	0	114.4
322	A	91.1	Very high	89.7	Confident	48 Å²	48	45.7 Å²	45.7	40%	0.397	27%	0.268	S	S	.	.	S	Bend	trans	-159.7	164.3	177.9	0	0	0	0	0	109.6	A320	A320-A322 VanDerWaalsContact C-N 3.34Å; A320-A322 PolarHBondContact O-N 2.74Å
323	F	94.1	Very high	88.6	Confident	75 Å²	75	42.8 Å²	42.8	33%	0.329	25%	0.247	S	C	.	.	S	Bend	trans	-130.7	146.1	173	-72.3	-85.9	0	0	0	110.4	A320 V325 T343 P344 Y347	A320-F323 HydrophobicContact CB-CE1 4.2Å; A320-F323 HydrophobicContact CB-CE2 3.91Å; A320-F323 HydrophobicContact CB-CZ 3.59Å; F323-V325 HydrophobicContact CD1-CG1 4.04Å; F323-V325 HydrophobicContact CE1-CG1 3.85Å; F323-T343 VanDerWaalsContact CE1-O 3.29Å; F323-T343 WeakPolarHBondContact CE1-O 3.41Å; F323-P344 HydrophobicContact CD2-CG 4.14Å; F323-P344 HydrophobicContact CE2-CB 4.27Å; F323-P344 HydrophobicContact CE2-CG 3.73Å; F323-P344 HydrophobicContact CZ-CB 4.09Å; F323-P344 HydrophobicContact CZ-CG 3.97Å; F323-Y347 HydrophobicContact CE1-CG 4.29Å; F323-Y347 HydrophobicContact CZ-CG 4.24Å
324	P	96	Very high	87.3	Confident	44 Å²	44	47.2 Å²	47.2	29%	0.286	26%	0.262	S	S	.	.	S	Bend	cis	-66.6	149	-7	18.8	-25.1	0	0	0	114.1	K340 A341 F366	P324-K340 HydrophobicContact CB-CG 4.46Å; P324-A341 WeakPolarHBondContact CA-O 3.41Å; P324-F366 HydrophobicContact CB-CB 3.85Å; P324-F366 HydrophobicContact CB-CD1 4.47Å; P324-F366 HydrophobicContact CB-CG 4.29Å; P324-F366 HydrophobicContact CG-CB 3.85Å; P324-F366 HydrophobicContact CG-CD1 3.79Å; P324-F366 HydrophobicContact CG-CG 4.07Å; P324-F366 WeakPolarHBondContact O-CB 3.49Å; P324-F366 PolarHBondContact O-N 3.06Å
325	V	96.1	Very high	86.4	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.7	-179	64.1	0	0	0	0	110.9	A320 F323 K340 A341 Y347 T363 E364	A320-V325 HydrophobicContact CB-CB 4.5Å; A320-V325 HydrophobicContact CB-CG1 4.11Å; A320-V325 HydrophobicContact CB-CG2 4.49Å; F323-V325 HydrophobicContact CD1-CG1 4.04Å; F323-V325 HydrophobicContact CE1-CG1 3.85Å; V325-K340 WeakPolarHBondContact O-CA 3.4Å; V325-A341 HydrophobicContact CG1-CB 3.85Å; V325-A341 PolarHBondContact N-O 2.8Å; V325-A341 PolarHBondContact O-N 2.9Å; V325-Y347 HydrophobicContact CG1-CD2 3.91Å; V325-Y347 HydrophobicContact CG1-CE2 4.39Å; V325-T363 HydrophobicContact CG2-CG2 4.41Å; V325-E364 WeakPolarHBondContact CG2-O 3.48Å
326	I	95.2	Very high	85.7	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.036	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.8	167.5	-62.4	-49.8	0	0	0	109	K328 V339 K340 T363 E364 F366 W394	I326-K328 HydrophobicContact CG2-CG 4.04Å; I326-V339 CarbonylContact C-O 3.43Å; I326-V339 WeakPolarHBondContact CA-O 3.44Å; I326-K340 HydrophobicContact CD1-CB 3.6Å; I326-K340 HydrophobicContact CD1-CD 4.49Å; I326-K340 HydrophobicContact CD1-CG 3.87Å; I326-T363 VanDerWaalsContact O-CA 3.28Å; I326-T363 WeakPolarHBondContact O-CA 3.48Å; I326-E364 HydrophobicContact CB-CG 3.96Å; I326-E364 HydrophobicContact CG2-CG 4.4Å; I326-E364 PolarHBondContact N-O 3.01Å; I326-E364 PolarHBondContact O-N 3.2Å; I326-F366 HydrophobicContact CD1-CD2 3.85Å; I326-F366 HydrophobicContact CG1-CB 4.39Å; I326-F366 HydrophobicContact CG1-CD2 4.23Å; I326-W394 HydrophobicContact CD1-CE3 4.1Å; I326-W394 HydrophobicContact CD1-CH2 3.41Å; I326-W394 VanDerWaalsContact CD1-CH2 3.41Å; I326-W394 HydrophobicContact CD1-CZ2 3.87Å; I326-W394 HydrophobicContact CD1-CZ3 3.54Å; I326-W394 HydrophobicContact CG1-CH2 4.23Å; I326-W394 HydrophobicContact CG1-CZ3 4.07Å; I326-W394 HydrophobicContact CG2-CH2 4.25Å
327	V	94.2	Very high	85.2	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.2	169.3	-176.6	0	0	0	0	108.5	M317 V329 K338 V339 Y347 L350 M354 T362 T363	M317-V327 HydrophobicContact CE-CG1 4.08Å; V327-V329 HydrophobicContact CG1-CG2 4.01Å; V327-K338 CarbonylContact O-C 3.48Å; V327-K338 VanDerWaalsContact O-CA 3.32Å; V327-K338 WeakPolarHBondContact O-CA 3.35Å; V327-V339 PolarHBondContact N-O 2.76Å; V327-V339 PolarHBondContact O-N 2.84Å; V327-Y347 HydrophobicContact CG2-CD2 3.97Å; V327-Y347 HydrophobicContact CG2-CE2 4.06Å; V327-L350 HydrophobicContact CG2-CD1 4.39Å; V327-M354 HydrophobicContact CG1-CE 4.1Å; V327-M354 HydrophobicContact CG1-SD 4.34Å; V327-T362 CarbonylContact C-O 3.44Å; V327-T363 HydrophobicContact CG2-CG2 4.33Å
328	K	92.9	Very high	85.1	Confident	25 Å²	25	42.1 Å²	42.1	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.9	174.6	-58.1	179.3	174.8	166.4	0	109.2	I326 G337 K338 A361 T362 E364	I326-K328 HydrophobicContact CG2-CG 4.04Å; K328-G337 CarbonylContact C-O 3.53Å; K328-G337 WeakPolarHBondContact CA-O 3.47Å; K328-K338 HydrophobicContact CB-CG 4.47Å; K328-K338 HydrophobicContact CD-CD 4.38Å; K328-K338 HydrophobicContact CG-CD 4.25Å; K328-K338 HydrophobicContact CG-CG 4.04Å; K328-A361 CarbonylContact O-C 3.55Å; K328-A361 VanDerWaalsContact O-CA 3.26Å; K328-A361 WeakPolarHBondContact O-CA 3.27Å; K328-T362 PolarHBondContact N-O 3.26Å; K328-T362 PolarHBondContact O-N 3.15Å; K328-E364 VanDerWaalsContact CE-CD 3.41Å; K328-E364 WeakPolarHBondContact CE-OE1 3.25Å; K328-E364 WeakPolarHBondContact CE-OE2 3.26Å; K328-E364 IonicContact NZ-OE1 2.69Å; K328-E364 PolarHBondContact NZ-OE1 3.31Å; K328-E364 IonicContact NZ-OE2 2.66Å; K328-E364 PolarHBondContact NZ-OE2 3.41Å
329	V	90.1	Very high	85.3	Confident	36 Å²	36	41.8 Å²	41.8	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.4	-175.4	-167.5	0	0	0	0	110.6	V327 G337 M354 T359	V327-V329 HydrophobicContact CG1-CG2 4.01Å; V329-G337 PolarHBondContact N-O 2.91Å; V329-M354 HydrophobicContact CB-SD 4.26Å; V329-M354 HydrophobicContact CG1-CG 4.11Å; V329-M354 HydrophobicContact CG1-SD 3.88Å; V329-M354 HydrophobicContact CG2-CG 4.12Å; V329-M354 HydrophobicContact CG2-SD 3.41Å; V329-M354 WeakPolarHBondContact CG2-SD 3.44Å; V329-T359 HydrophobicContact CG1-CG2 3.74Å
330	G	85.7	Confident	85.7	Confident	12 Å²	12	38.6 Å²	38.6	12%	0.124	22%	0.218	C	C	.	.	S	Bend	trans	56.3	-144.8	174.5	0	0	0	0	0	115.6	Y360	G330-Y360 PolarHBondContact N-O 2.95Å; G330-Y360 WeakPolarHBondContact O-CE2 3.41Å; G330-Y360 VanDerWaalsContact O-CZ 3.32Å; G330-Y360 PolarHBondContact O-OH 2.83Å
331	V	75.8	Confident	86	Confident	31 Å²	31	38.2 Å²	38.2	19%	0.188	22%	0.215	C	C	.	.	S	Bend	trans	-104.7	68.5	-178.8	-172.4	0	0	0	0	109.7	L253 Y360	L253-V331 WeakPolarHBondContact CD2-O 3.43Å; V331-Y360 HydrophobicContact CG2-CE1 4.36Å; V331-Y360 VanDerWaalsContact CG2-OH 3.24Å; V331-Y360 WeakPolarHBondContact CG2-OH 3.35Å
332	G	68.3	Low	86.6	Confident	9 Å²	9	37.2 Å²	37.2	9%	0.093	20%	0.204	C	C	.	.			trans	-96.8	132.1	178.4	0	0	0	0	0	113.4	K338	G332-K338 PolarHBondContact O-NZ 3.4Å
333	H	71	Confident	86.8	Confident	28 Å²	28	37.3 Å²	37.3	13%	0.13	20%	0.2	C	C	.	.			trans	-101.4	162.8	-178.6	-68.6	-81.5	0	0	0	111.9	H249 S251 G335 E336	H249-H333 AromaticContact CD2-CE1 3.63Å; H249-H333 AromaticContact CE1-CE1 3.27Å; H249-H333 PolarHBondContact CE1-CE1 3.26Å; H249-H333 AromaticContact CE1-NE2 3.22Å; H249-H333 PolarHBondContact CE1-NE2 2.81Å; H249-H333 AromaticContact CG-CE1 3.36Å; H249-H333 AromaticContact CG-NE2 3.7Å; H249-H333 AromaticContact ND1-CE1 3.14Å; H249-H333 PolarHBondContact ND1-CE1 3Å; H249-H333 AromaticContact ND1-NE2 3Å; H249-H333 PolarHBondContact ND1-NE2 3.37Å; H249-H333 AromaticContact NE2-CE1 3.57Å; H249-H333 AromaticContact NE2-NE2 3.98Å; S251-H333 PolarHBondContact O-NE2 3.4Å; H333-G335 PolarHBondContact O-N 3.42Å; H333-E336 PolarHBondContact N-OE2 3.47Å; H333-E336 VanDerWaalsContact O-CB 3.26Å; H333-E336 WeakPolarHBondContact O-CB 3.44Å; H333-E336 VanDerWaalsContact O-CG 3.25Å; H333-E336 WeakPolarHBondContact O-CG 3.42Å; H333-E336 PolarHBondContact O-N 3.07Å
334	R	64.1	Low	86.8	Confident	110 Å²	110	37.1 Å²	37.1	42%	0.415	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	13.9	173.6	-63.2	-178.9	174.9	-96.6	-7	117.3	N397	R334-N397 PolarHBondContact O-ND2 2.82Å
335	G	72.3	Confident	86.8	Confident	9 Å²	9	42.9 Å²	42.9	9%	0.093	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	109	-4.6	-177.6	0	0	0	0	0	114.7	H333 K338 K395	H333-G335 PolarHBondContact O-N 3.42Å; G335-K338 PolarHBondContact O-N 2.96Å; G335-K395 PolarHBondContact O-NZ 2.67Å
336	E	78.7	Confident	86.7	Confident	96 Å²	96	46.1 Å²	46.1	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	143.9	164.7	-60.2	175.1	138.2	0	0	110.8	L253 H333 K338	L253-E336 HydrophobicContact CD1-CB 3.79Å; H333-E336 PolarHBondContact N-OE2 3.47Å; H333-E336 VanDerWaalsContact O-CB 3.26Å; H333-E336 WeakPolarHBondContact O-CB 3.44Å; H333-E336 VanDerWaalsContact O-CG 3.25Å; H333-E336 WeakPolarHBondContact O-CG 3.42Å; H333-E336 PolarHBondContact O-N 3.07Å; E336-K338 WeakPolarHBondContact O-CG 3.42Å; E336-K338 PolarHBondContact O-N 2.94Å
337	G	83.9	Confident	86.7	Confident	26 Å²	26	45.9 Å²	45.9	27%	0.268	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-2.3	-177	0	0	0	0	0	115.1	K328 V329	K328-G337 CarbonylContact C-O 3.53Å; K328-G337 WeakPolarHBondContact CA-O 3.47Å; V329-G337 PolarHBondContact N-O 2.91Å
338	K	90.8	Very high	86.7	Confident	36 Å²	36	49.8 Å²	49.8	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.4	-178.7	-53.1	-168.1	175.8	67	0	110.3	V327 K328 G332 G335 E336 K395	V327-K338 CarbonylContact O-C 3.48Å; V327-K338 VanDerWaalsContact O-CA 3.32Å; V327-K338 WeakPolarHBondContact O-CA 3.35Å; K328-K338 HydrophobicContact CB-CG 4.47Å; K328-K338 HydrophobicContact CD-CD 4.38Å; K328-K338 HydrophobicContact CG-CD 4.25Å; K328-K338 HydrophobicContact CG-CG 4.04Å; G332-K338 PolarHBondContact O-NZ 3.4Å; G335-K338 PolarHBondContact O-N 2.96Å; E336-K338 WeakPolarHBondContact O-CG 3.42Å; E336-K338 PolarHBondContact O-N 2.94Å; K338-K395 VanDerWaalsContact O-CE 3.24Å; K338-K395 WeakPolarHBondContact O-CE 3.23Å; K338-K395 PolarHBondContact O-NZ 2.86Å
339	V	92.9	Very high	86.7	Confident	57 Å²	57	53.4 Å²	53.4	35%	0.345	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.8	-175.7	-168.2	0	0	0	0	110.1	I326 V327 L350	I326-V339 CarbonylContact C-O 3.43Å; I326-V339 WeakPolarHBondContact CA-O 3.44Å; V327-V339 PolarHBondContact N-O 2.76Å; V327-V339 PolarHBondContact O-N 2.84Å; V339-L350 HydrophobicContact CB-CD1 4.09Å; V339-L350 HydrophobicContact CB-CD2 4.34Å; V339-L350 HydrophobicContact CG1-CD1 3.73Å; V339-L350 HydrophobicContact CG1-CD2 3.94Å; V339-L350 HydrophobicContact CG1-CG 4.5Å; V339-L350 HydrophobicContact CG2-CD2 4.34Å
340	K	94.8	Very high	86.8	Confident	50 Å²	50	53.1 Å²	53.1	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.1	171.3	-176.7	176.4	-178.5	-107.1	0	108.6	P324 V325 I326 D342 F366 W394	P324-K340 HydrophobicContact CB-CG 4.46Å; V325-K340 WeakPolarHBondContact O-CA 3.4Å; I326-K340 HydrophobicContact CD1-CB 3.6Å; I326-K340 HydrophobicContact CD1-CD 4.49Å; I326-K340 HydrophobicContact CD1-CG 3.87Å; K340-D342 WeakPolarHBondContact CE-OD1 3.41Å; K340-D342 IonicContact NZ-OD1 3.27Å; K340-D342 PolarHBondContact NZ-OD1 3.19Å; K340-D342 IonicContact NZ-OD2 2.71Å; K340-D342 PolarHBondContact NZ-OD2 2.75Å; K340-F366 HydrophobicContact CD-CD2 3.78Å; K340-F366 HydrophobicContact CD-CE2 3.82Å; K340-F366 HydrophobicContact CD-CG 4.34Å; K340-F366 HydrophobicContact CD-CZ 4.43Å; K340-F366 HydrophobicContact CG-CD2 4.32Å; K340-W394 HydrophobicContact CB-CZ2 3.86Å
341	A	95.3	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.4	168.6	0	0	0	0	0	108.8	P324 V325 I346 Y347 L350	P324-A341 WeakPolarHBondContact CA-O 3.41Å; V325-A341 HydrophobicContact CG1-CB 3.85Å; V325-A341 PolarHBondContact N-O 2.8Å; V325-A341 PolarHBondContact O-N 2.9Å; A341-I346 HydrophobicContact CB-CB 4.37Å; A341-I346 HydrophobicContact CB-CG2 3.97Å; A341-Y347 HydrophobicContact CB-CD2 4.47Å; A341-L350 HydrophobicContact CB-CD1 4.03Å
342	D	95.3	Very high	87.9	Confident	79 Å²	79	54.9 Å²	54.9	42%	0.422	29%	0.289	S	S	.	.			trans	-83.7	-20.1	-179.4	-82.4	-72.9	0	0	0	113.4	K340 I346	K340-D342 WeakPolarHBondContact CE-OD1 3.41Å; K340-D342 IonicContact NZ-OD1 3.27Å; K340-D342 PolarHBondContact NZ-OD1 3.19Å; K340-D342 IonicContact NZ-OD2 2.71Å; K340-D342 PolarHBondContact NZ-OD2 2.75Å; D342-I346 HydrophobicContact CB-CD1 4.36Å
343	T	94.8	Very high	88.9	Confident	51 Å²	51	60.2 Å²	60.2	31%	0.313	32%	0.315	S	S	.	.	S	Bend	trans	-138.4	160.1	-178.1	70.5	0	0	0	0	111.8	F323 F345 I346 Y347	F323-T343 VanDerWaalsContact CE1-O 3.29Å; F323-T343 WeakPolarHBondContact CE1-O 3.41Å; T343-F345 PolarHBondContact O-N 3.24Å; T343-I346 HydrophobicContact CG2-CD1 4.45Å; T343-I346 PolarHBondContact O-N 2.91Å; T343-I346 WeakPolarHBondContact OG1-CG1 3.26Å; T343-I346 PolarHBondContact OG1-N 3.34Å; T343-Y347 PolarHBondContact O-N 3.07Å; T343-Y347 VanDerWaalsContact O-N 3.17Å
344	P	94.9	Very high	89.8	Confident	70 Å²	70	59.9 Å²	59.9	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-55.2	-34.9	172.1	-26.3	34.4	0	0	0	113.8	F323 Y347 Q348	F323-P344 HydrophobicContact CD2-CG 4.14Å; F323-P344 HydrophobicContact CE2-CB 4.27Å; F323-P344 HydrophobicContact CE2-CG 3.73Å; F323-P344 HydrophobicContact CZ-CB 4.09Å; F323-P344 HydrophobicContact CZ-CG 3.97Å; P344-Y347 PolarHBondContact O-N 2.96Å; P344-Q348 WeakPolarHBondContact O-CG 3.37Å; P344-Q348 PolarHBondContact O-N 3.47Å
345	F	94.5	Very high	90.9	Very high	166 Å²	166	58.7 Å²	58.7	73%	0.728	32%	0.315	S	S	*	.	H	α-helix	trans	-64.1	-53.1	179.3	-57.2	-73.7	0	0	0	111.5	T343 Y347 Q348 D349	T343-F345 PolarHBondContact O-N 3.24Å; F345-Y347 PolarHBondContact O-N 3.39Å; F345-Y347 VanDerWaalsContact O-N 3.16Å; F345-Q348 PolarHBondContact O-N 2.97Å; F345-D349 PolarHBondContact O-N 2.84Å
346	I	94.3	Very high	91.2	Very high	69 Å²	69	63.4 Å²	63.4	35%	0.354	35%	0.347	S	S	.	.	H	α-helix	trans	-57.3	-35.1	176.9	-63	166.6	0	0	0	110.9	A341 D342 T343 L350	A341-I346 HydrophobicContact CB-CB 4.37Å; A341-I346 HydrophobicContact CB-CG2 3.97Å; D342-I346 HydrophobicContact CB-CD1 4.36Å; T343-I346 HydrophobicContact CG2-CD1 4.45Å; T343-I346 PolarHBondContact O-N 2.91Å; T343-I346 WeakPolarHBondContact OG1-CG1 3.26Å; T343-I346 PolarHBondContact OG1-N 3.34Å; I346-L350 HydrophobicContact CG2-CD1 4.19Å; I346-L350 VanDerWaalsContact O-CG 3.26Å; I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 2.76Å
347	Y	95.2	Very high	91	Very high	2 Å²	2	61 Å²	61	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-68.2	-42.8	176.4	178.9	-96.8	0	0	0	112.7	M317 A320 F323 V325 V327 A341 T343 P344 F345 D349 L350 V351 T363	M317-Y347 WeakPolarHBondContact CB-OH 3.49Å; M317-Y347 HydrophobicContact CE-CE2 3.71Å; M317-Y347 WeakPolarHBondContact CE-OH 3.41Å; M317-Y347 WeakPolarHBondContact O-CE1 3.41Å; M317-Y347 PolarHBondContact O-OH 3.33Å; A320-Y347 HydrophobicContact CB-CD1 4.33Å; A320-Y347 HydrophobicContact CB-CD2 4.12Å; A320-Y347 HydrophobicContact CB-CE1 4.06Å; A320-Y347 HydrophobicContact CB-CE2 3.84Å; A320-Y347 HydrophobicContact CB-CG 4.35Å; F323-Y347 HydrophobicContact CE1-CG 4.29Å; F323-Y347 HydrophobicContact CZ-CG 4.24Å; V325-Y347 HydrophobicContact CG1-CD2 3.91Å; V325-Y347 HydrophobicContact CG1-CE2 4.39Å; V327-Y347 HydrophobicContact CG2-CD2 3.97Å; V327-Y347 HydrophobicContact CG2-CE2 4.06Å; A341-Y347 HydrophobicContact CB-CD2 4.47Å; T343-Y347 PolarHBondContact O-N 3.07Å; T343-Y347 VanDerWaalsContact O-N 3.17Å; P344-Y347 PolarHBondContact O-N 2.96Å; F345-Y347 PolarHBondContact O-N 3.39Å; F345-Y347 VanDerWaalsContact O-N 3.16Å; Y347-D349 VanDerWaalsContact C-N 3.34Å; Y347-D349 PolarHBondContact O-N 2.98Å; Y347-L350 PolarHBondContact O-N 3.09Å; Y347-V351 HydrophobicContact CD1-CG2 4.35Å; Y347-V351 HydrophobicContact CE1-CG2 4.09Å; Y347-V351 VanDerWaalsContact O-CG2 3.29Å; Y347-V351 WeakPolarHBondContact O-CG2 3.44Å; Y347-V351 PolarHBondContact O-N 2.82Å; Y347-T363 HydrophobicContact CE2-CG2 4.03Å
348	Q	93.9	Very high	90.9	Very high	84 Å²	84	66 Å²	66	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-35.9	173.9	-64.9	-60	-24.7	0	0	112.4	A318 P344 F345 V351 S352	A318-Q348 PolarHBondContact O-NE2 3.23Å; P344-Q348 WeakPolarHBondContact O-CG 3.37Å; P344-Q348 PolarHBondContact O-N 3.47Å; F345-Q348 PolarHBondContact O-N 2.97Å; Q348-V351 PolarHBondContact O-N 2.99Å; Q348-S352 WeakPolarHBondContact O-CB 3.38Å; Q348-S352 PolarHBondContact O-N 3.26Å; Q348-S352 PolarHBondContact O-OG 3.34Å
349	D	93.3	Very high	90.7	Very high	100 Å²	100	66.9 Å²	66.9	54%	0.535	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-45.8	173.8	-63.1	-33.9	0	0	0	111.1	F345 Y347 S352 L353	F345-D349 PolarHBondContact O-N 2.84Å; Y347-D349 VanDerWaalsContact C-N 3.34Å; Y347-D349 PolarHBondContact O-N 2.98Å; D349-S352 WeakPolarHBondContact O-CB 3.35Å; D349-S352 PolarHBondContact O-N 2.73Å; D349-L353 WeakPolarHBondContact O-CG 3.45Å; D349-L353 PolarHBondContact O-N 2.75Å
350	L	92.2	Very high	90.7	Very high	31 Å²	31	65.9 Å²	65.9	16%	0.162	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-40.3	175.9	-69.9	169.7	0	0	0	112.5	V327 V339 A341 I346 Y347 S352 L353 M354	V327-L350 HydrophobicContact CG2-CD1 4.39Å; V339-L350 HydrophobicContact CB-CD1 4.09Å; V339-L350 HydrophobicContact CB-CD2 4.34Å; V339-L350 HydrophobicContact CG1-CD1 3.73Å; V339-L350 HydrophobicContact CG1-CD2 3.94Å; V339-L350 HydrophobicContact CG1-CG 4.5Å; V339-L350 HydrophobicContact CG2-CD2 4.34Å; A341-L350 HydrophobicContact CB-CD1 4.03Å; I346-L350 HydrophobicContact CG2-CD1 4.19Å; I346-L350 VanDerWaalsContact O-CG 3.26Å; I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 2.76Å; Y347-L350 PolarHBondContact O-N 3.09Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.15Å; L350-L353 HydrophobicContact CD2-CD1 4.48Å; L350-L353 PolarHBondContact O-N 2.79Å; L350-M354 WeakPolarHBondContact O-CG 3.27Å; L350-M354 PolarHBondContact O-N 3.47Å; L350-M354 VanDerWaalsContact O-N 3.09Å
351	V	93.3	Very high	90.6	Very high	12 Å²	12	63.5 Å²	63.5	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-39.1	174.3	169.8	0	0	0	0	111.1	M317 Y347 Q348 M354	M317-V351 HydrophobicContact CB-CG1 4.26Å; M317-V351 HydrophobicContact CB-CG2 3.57Å; M317-V351 HydrophobicContact CE-CG2 4.07Å; M317-V351 HydrophobicContact SD-CG2 4.32Å; Y347-V351 HydrophobicContact CD1-CG2 4.35Å; Y347-V351 HydrophobicContact CE1-CG2 4.09Å; Y347-V351 VanDerWaalsContact O-CG2 3.29Å; Y347-V351 WeakPolarHBondContact O-CG2 3.44Å; Y347-V351 PolarHBondContact O-N 2.82Å; Q348-V351 PolarHBondContact O-N 2.99Å; V351-M354 HydrophobicContact CB-CE 4.42Å; V351-M354 HydrophobicContact CG2-CE 3.94Å; V351-M354 PolarHBondContact O-N 2.94Å
352	S	91.3	Very high	90.6	Very high	67 Å²	67	63.8 Å²	63.8	47%	0.469	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.9	-58.1	0	0	0	0	112.5	Q348 D349 L350 M354 I355	Q348-S352 WeakPolarHBondContact O-CB 3.38Å; Q348-S352 PolarHBondContact O-N 3.26Å; Q348-S352 PolarHBondContact O-OG 3.34Å; D349-S352 WeakPolarHBondContact O-CB 3.35Å; D349-S352 PolarHBondContact O-N 2.73Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.15Å; S352-M354 VanDerWaalsContact C-N 3.33Å; S352-M354 PolarHBondContact O-N 3.27Å; S352-I355 WeakPolarHBondContact O-CB 3.38Å; S352-I355 WeakPolarHBondContact O-CD1 3.49Å; S352-I355 VanDerWaalsContact O-CG1 3.25Å; S352-I355 WeakPolarHBondContact O-CG1 3.29Å; S352-I355 PolarHBondContact O-N 3.34Å
353	L	90	Very high	90.6	Very high	122 Å²	122	60 Å²	60	64%	0.639	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-35.7	173.7	-68.8	170.2	0	0	0	112.3	D349 L350 I355 S356	D349-L353 WeakPolarHBondContact O-CG 3.45Å; D349-L353 PolarHBondContact O-N 2.75Å; L350-L353 HydrophobicContact CD2-CD1 4.48Å; L350-L353 PolarHBondContact O-N 2.79Å; L353-I355 VanDerWaalsContact C-N 3.25Å; L353-I355 PolarHBondContact O-N 3.25Å; L353-S356 PolarHBondContact O-OG 3.32Å
354	M	89.4	Confident	90.7	Very high	21 Å²	21	58 Å²	58	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-13.1	-179.6	-75.3	-173.7	-71.8	0	0	115	M317 V327 V329 L350 V351 S352 S356 G357 A361	M317-M354 HydrophobicContact CE-CE 3.69Å; M317-M354 HydrophobicContact SD-CE 3.41Å; M317-M354 WeakPolarHBondContact SD-CE 3.41Å; M317-M354 HydrophobicContact SD-SD 4.19Å; V327-M354 HydrophobicContact CG1-CE 4.1Å; V327-M354 HydrophobicContact CG1-SD 4.34Å; V329-M354 HydrophobicContact CB-SD 4.26Å; V329-M354 HydrophobicContact CG1-CG 4.11Å; V329-M354 HydrophobicContact CG1-SD 3.88Å; V329-M354 HydrophobicContact CG2-CG 4.12Å; V329-M354 HydrophobicContact CG2-SD 3.41Å; V329-M354 WeakPolarHBondContact CG2-SD 3.44Å; L350-M354 WeakPolarHBondContact O-CG 3.27Å; L350-M354 PolarHBondContact O-N 3.47Å; L350-M354 VanDerWaalsContact O-N 3.09Å; V351-M354 HydrophobicContact CB-CE 4.42Å; V351-M354 HydrophobicContact CG2-CE 3.94Å; V351-M354 PolarHBondContact O-N 2.94Å; S352-M354 VanDerWaalsContact C-N 3.33Å; S352-M354 PolarHBondContact O-N 3.27Å; M354-S356 PolarHBondContact O-N 3.09Å; M354-S356 VanDerWaalsContact O-N 3.15Å; M354-G357 PolarHBondContact O-N 2.78Å; M354-A361 HydrophobicContact SD-CB 3.98Å
355	I	87.8	Confident	90.7	Very high	84 Å²	84	56.8 Å²	56.8	43%	0.431	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.8	175.1	-62	173.7	0	0	0	111.3	Y314 S352 L353 G357 Q358	Y314-I355 HydrophobicContact CD2-CG1 3.73Å; Y314-I355 HydrophobicContact CE1-CB 4.47Å; Y314-I355 HydrophobicContact CE1-CG2 4.44Å; Y314-I355 HydrophobicContact CE2-CB 4.45Å; Y314-I355 HydrophobicContact CE2-CD1 4.49Å; Y314-I355 HydrophobicContact CE2-CG1 3.69Å; Y314-I355 HydrophobicContact CG-CG1 4.18Å; S352-I355 WeakPolarHBondContact O-CB 3.38Å; S352-I355 WeakPolarHBondContact O-CD1 3.49Å; S352-I355 VanDerWaalsContact O-CG1 3.25Å; S352-I355 WeakPolarHBondContact O-CG1 3.29Å; S352-I355 PolarHBondContact O-N 3.34Å; L353-I355 VanDerWaalsContact C-N 3.25Å; L353-I355 PolarHBondContact O-N 3.25Å; I355-G357 PolarHBondContact O-N 3.49Å; I355-Q358 PolarHBondContact O-NE2 2.97Å
356	S	77.5	Confident	90.7	Very high	109 Å²	109	51.2 Å²	51.2	76%	0.762	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-28	179.7	63.2	0	0	0	0	114.5	L353 M354	L353-S356 PolarHBondContact O-OG 3.32Å; M354-S356 PolarHBondContact O-N 3.09Å; M354-S356 VanDerWaalsContact O-N 3.15Å
357	G	76.4	Confident	90.7	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-17.3	-163.9	0	0	0	0	0	116	M354 I355 T359	M354-G357 PolarHBondContact O-N 2.78Å; I355-G357 PolarHBondContact O-N 3.49Å; G357-T359 PolarHBondContact O-N 2.9Å
358	Q	80.3	Confident	90.6	Very high	131 Å²	131	52.8 Å²	52.8	61%	0.612	30%	0.298	S	S	*	.			trans	41.9	41	-178.9	-60.7	-60.5	-45.3	0	0	114.2	I355	I355-Q358 PolarHBondContact O-NE2 2.97Å
359	T	87.8	Confident	90.4	Very high	54 Å²	54	50.3 Å²	50.3	33%	0.331	29%	0.292	S	S	.	.			trans	-128.4	162.1	-174.7	-168	0	0	0	0	110.6	V329 G357	V329-T359 HydrophobicContact CG1-CG2 3.74Å; G357-T359 PolarHBondContact O-N 2.9Å
360	Y	91.8	Very high	90.2	Very high	35 Å²	35	50.1 Å²	50.1	14%	0.137	29%	0.291	C	S	.	.			trans	-69.1	159.8	175.3	71.9	-103.4	0	0	0	110.9	P285 Y310 H311 G330 V331	P285-Y360 WeakPolarHBondContact CD-OH 3.25Å; P285-Y360 HydrophobicContact CG-CD1 4.48Å; P285-Y360 HydrophobicContact CG-CD2 3.68Å; P285-Y360 HydrophobicContact CG-CE1 4.12Å; P285-Y360 HydrophobicContact CG-CE2 3.31Å; P285-Y360 HydrophobicContact CG-CG 4.29Å; Y310-Y360 HydrophobicContact CD2-CD2 4.48Å; Y310-Y360 AromaticContact CE2-CD2 3.96Å; Y310-Y360 HydrophobicContact CE2-CD2 3.96Å; Y310-Y360 AromaticContact CE2-CG 3.79Å; Y310-Y360 HydrophobicContact CE2-CG 3.79Å; H311-Y360 WeakPolarHBondContact O-CA 3.5Å; H311-Y360 WeakPolarHBondContact O-CB 3.38Å; G330-Y360 PolarHBondContact N-O 2.95Å; G330-Y360 WeakPolarHBondContact O-CE2 3.41Å; G330-Y360 VanDerWaalsContact O-CZ 3.32Å; G330-Y360 PolarHBondContact O-OH 2.83Å; V331-Y360 HydrophobicContact CG2-CE1 4.36Å; V331-Y360 VanDerWaalsContact CG2-OH 3.24Å; V331-Y360 WeakPolarHBondContact CG2-OH 3.35Å
361	A	93.7	Very high	90.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.8	166.9	0	0	0	0	0	110.7	H311 M317 K328 M354	H311-A361 PolarHBondContact N-O 3.19Å; H311-A361 PolarHBondContact O-N 2.8Å; H311-A361 VanDerWaalsContact O-O 3.14Å; M317-A361 HydrophobicContact CE-CB 4.36Å; M317-A361 HydrophobicContact SD-CB 3.58Å; M317-A361 VanDerWaalsContact SD-CB 3.58Å; K328-A361 CarbonylContact O-C 3.55Å; K328-A361 VanDerWaalsContact O-CA 3.26Å; K328-A361 WeakPolarHBondContact O-CA 3.27Å; M354-A361 HydrophobicContact SD-CB 3.98Å
362	T	95.1	Very high	90.2	Very high	6 Å²	6	49 Å²	49	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	166.6	74.9	0	0	0	0	110.8	P285 Q308 T309 Y310 V327 K328	P285-T362 HydrophobicContact CG-CG2 4.28Å; Q308-T362 VanDerWaalsContact CD-OG1 3.26Å; Q308-T362 HydrophobicContact CG-CG2 4.49Å; Q308-T362 PolarHBondContact OE1-OG1 2.91Å; T309-T362 CarbonylContact O-C 3.57Å; T309-T362 WeakPolarHBondContact O-CA 3.37Å; T309-T362 VanDerWaalsContact O-CB 3.31Å; T309-T362 WeakPolarHBondContact O-CB 3.25Å; Y310-T362 HydrophobicContact CD2-CG2 3.93Å; V327-T362 CarbonylContact C-O 3.44Å; K328-T362 PolarHBondContact N-O 3.26Å; K328-T362 PolarHBondContact O-N 3.15Å
363	T	95.9	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	179	56.6	0	0	0	0	110.6	Q308 T309 H311 M317 V325 I326 V327 Y347	Q308-T363 WeakPolarHBondContact CA-O 3.39Å; T309-T363 PolarHBondContact N-O 3.37Å; T309-T363 PolarHBondContact O-N 3.14Å; H311-T363 WeakPolarHBondContact NE2-CG2 3.47Å; H311-T363 PolarHBondContact NE2-OG1 3.01Å; M317-T363 HydrophobicContact CE-CG2 3.56Å; V325-T363 HydrophobicContact CG2-CG2 4.41Å; I326-T363 VanDerWaalsContact O-CA 3.28Å; I326-T363 WeakPolarHBondContact O-CA 3.48Å; V327-T363 HydrophobicContact CG2-CG2 4.33Å; Y347-T363 HydrophobicContact CE2-CG2 4.03Å
364	E	95.9	Very high	90.7	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.5	177.9	62.7	-165.8	-145.6	0	0	111	I306 Q308 V325 I326 K328 F366	I306-E364 HydrophobicContact CD1-CB 4.11Å; I306-E364 HydrophobicContact CD1-CG 4.1Å; I306-E364 HydrophobicContact CG1-CB 4.32Å; Q308-E364 HydrophobicContact CB-CB 4.2Å; Q308-E364 HydrophobicContact CG-CB 4.31Å; Q308-E364 PolarHBondContact NE2-OE2 2.92Å; V325-E364 WeakPolarHBondContact CG2-O 3.48Å; I326-E364 HydrophobicContact CB-CG 3.96Å; I326-E364 HydrophobicContact CG2-CG 4.4Å; I326-E364 PolarHBondContact N-O 3.01Å; I326-E364 PolarHBondContact O-N 3.2Å; K328-E364 VanDerWaalsContact CE-CD 3.41Å; K328-E364 WeakPolarHBondContact CE-OE1 3.25Å; K328-E364 WeakPolarHBondContact CE-OE2 3.26Å; K328-E364 IonicContact NZ-OE1 2.69Å; K328-E364 PolarHBondContact NZ-OE1 3.31Å; K328-E364 IonicContact NZ-OE2 2.66Å; K328-E364 PolarHBondContact NZ-OE2 3.41Å; E364-F366 PolarHBondContact O-N 3.18Å
365	P	95.6	Very high	91.1	Very high	43 Å²	43	39.6 Å²	39.6	28%	0.279	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	139	175	-25.3	33.9	0	0	0	112	S307 I367	S307-P365 WeakPolarHBondContact O-CD 3.43Å; P365-I367 PolarHBondContact O-N 3.45Å
366	F	95	Very high	91.6	Very high	50 Å²	50	35.6 Å²	35.6	22%	0.219	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.7	121.2	167.5	174.7	-98.2	0	0	0	110	P324 I326 K340 E364 D368 W394	P324-F366 HydrophobicContact CB-CB 3.85Å; P324-F366 HydrophobicContact CB-CD1 4.47Å; P324-F366 HydrophobicContact CB-CG 4.29Å; P324-F366 HydrophobicContact CG-CB 3.85Å; P324-F366 HydrophobicContact CG-CD1 3.79Å; P324-F366 HydrophobicContact CG-CG 4.07Å; P324-F366 WeakPolarHBondContact O-CB 3.49Å; P324-F366 PolarHBondContact O-N 3.06Å; I326-F366 HydrophobicContact CD1-CD2 3.85Å; I326-F366 HydrophobicContact CG1-CB 4.39Å; I326-F366 HydrophobicContact CG1-CD2 4.23Å; K340-F366 HydrophobicContact CD-CD2 3.78Å; K340-F366 HydrophobicContact CD-CE2 3.82Å; K340-F366 HydrophobicContact CD-CG 4.34Å; K340-F366 HydrophobicContact CD-CZ 4.43Å; K340-F366 HydrophobicContact CG-CD2 4.32Å; E364-F366 PolarHBondContact O-N 3.18Å; F366-D368 HydrophobicContact CE1-CB 4.2Å; F366-W394 HydrophobicContact CE2-CB 3.84Å; F366-W394 HydrophobicContact CE2-CD2 4.24Å; F366-W394 HydrophobicContact CE2-CE3 4.27Å; F366-W394 HydrophobicContact CE2-CG 4.09Å; F366-W394 HydrophobicContact CZ-CB 4.21Å
367	I	94.5	Very high	92.6	Very high	26 Å²	26	31.5 Å²	31.5	13%	0.133	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-93.2	122.2	172.6	-51.6	-57.4	0	0	0	108.6	I306 P365 A369 L434 F442	I306-I367 HydrophobicContact CD1-CD1 4.39Å; I306-I367 HydrophobicContact CD1-CG1 3.92Å; P365-I367 PolarHBondContact O-N 3.45Å; I367-A369 VanDerWaalsContact C-N 3.28Å; I367-A369 PolarHBondContact O-N 3.12Å; I367-L434 HydrophobicContact CB-CD1 3.86Å; I367-L434 HydrophobicContact CG1-CD1 4.15Å; I367-L434 HydrophobicContact CG2-CB 4.4Å; I367-F442 HydrophobicContact CD1-CD1 4.05Å; I367-F442 HydrophobicContact CD1-CD2 4.22Å; I367-F442 HydrophobicContact CD1-CE1 4.23Å; I367-F442 HydrophobicContact CD1-CE2 4.41Å; I367-F442 HydrophobicContact CD1-CG 4.05Å; I367-F442 HydrophobicContact CD1-CZ 4.41Å; I367-F442 HydrophobicContact CG1-CB 4.31Å; I367-F442 HydrophobicContact CG1-CD2 4.25Å; I367-F442 HydrophobicContact CG1-CG 4.11Å; I367-F442 HydrophobicContact CG2-CD2 3.84Å; I367-F442 HydrophobicContact CG2-CE2 4.16Å
368	D	91.3	Very high	93.6	Very high	77 Å²	77	29.7 Å²	29.7	41%	0.412	16%	0.157	S	C	.	.			trans	-74.3	84.4	170.8	-174.4	21.6	0	0	0	109.6	F366 R437	F366-D368 HydrophobicContact CE1-CB 4.2Å; D368-R437 PolarHBondContact O-N 2.96Å; D368-R437 IonicContact OD1-CZ 2.64Å; D368-R437 IonicContact OD1-NE 2.74Å; D368-R437 PolarHBondContact OD1-NE 3.45Å; D368-R437 IonicContact OD1-NH2 3.43Å; D368-R437 PolarHBondContact OD1-NH2 2.72Å; D368-R437 IonicContact OD2-CZ 2.7Å; D368-R437 IonicContact OD2-NE 3.07Å; D368-R437 PolarHBondContact OD2-NE 3.15Å; D368-R437 IonicContact OD2-NH2 3.58Å; D368-R437 PolarHBondContact OD2-NH2 3.43Å
369	A	91.4	Very high	94.5	Very high	32 Å²	32	24.4 Å²	24.4	26%	0.264	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.5	-171.6	0	0	0	0	0	112.7	I367 L434 Q435	I367-A369 VanDerWaalsContact C-N 3.28Å; I367-A369 PolarHBondContact O-N 3.12Å; A369-L434 HydrophobicContact CB-CB 4.13Å; A369-L434 HydrophobicContact CB-CD2 4.45Å; A369-Q435 CarbonylContact C-O 3.57Å; A369-Q435 VanDerWaalsContact CA-O 3.24Å; A369-Q435 WeakPolarHBondContact CA-O 3.49Å
370	N	87.9	Confident	94.9	Very high	96 Å²	96	28.1 Å²	28.1	51%	0.513	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-29.8	167.5	-176.5	45.5	0	0	0	111.3	Q435	N370-Q435 PolarHBondContact N-O 2.72Å
371	C	91.9	Very high	95.2	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	163.7	-179.8	53	0	0	0	0	112.4	M386 R387 K388 Q435	C371-M386 HydrophobicContact CB-CG 3.6Å; C371-M386 HydrophobicContact CB-SD 4.15Å; C371-R387 CarbonylContact C-O 3.38Å; C371-R387 WeakPolarHBondContact CA-O 3.32Å; C371-R387 WeakPolarHBondContact CB-O 3.32Å; C371-K388 HydrophobicContact CB-CG 3.66Å; C371-Q435 PolarHBondContact O-N 2.77Å; C371-Q435 PolarHBondContact SG-OE1 2.65Å
372	D	93	Very high	95.4	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.7	170.5	-51	6.3	0	0	0	108.1	M386 R387 S396 A433 L434	D372-M386 CarbonylContact O-C 3.57Å; D372-M386 WeakPolarHBondContact O-CA 3.24Å; D372-R387 HydrophobicContact CB-CB 4.4Å; D372-R387 PolarHBondContact N-O 3.02Å; D372-R387 PolarHBondContact O-N 3.26Å; D372-S396 PolarHBondContact OD1-OG 2.7Å; D372-S396 WeakPolarHBondContact OD2-CB 3.42Å; D372-S396 PolarHBondContact OD2-OG 3.33Å; D372-A433 CarbonylContact C-O 3.5Å; D372-A433 WeakPolarHBondContact CA-O 3.28Å; D372-L434 HydrophobicContact CB-CD2 4.28Å; D372-L434 WeakPolarHBondContact OD1-CD2 3.45Å
373	L	95.9	Very high	95.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127	174.7	179.6	82.4	0	0	0	109.3	V375 F385 V406 F412 W415 D432 A433 Y441	L373-V375 HydrophobicContact CD1-CG2 4.48Å; L373-V375 HydrophobicContact CD2-CG2 3.75Å; L373-V375 HydrophobicContact CG-CG2 3.96Å; L373-F385 WeakPolarHBondContact CA-O 3.1Å; L373-V406 HydrophobicContact CD1-CG2 3.95Å; L373-F412 HydrophobicContact CD1-CE2 3.83Å; L373-F412 HydrophobicContact CD1-CZ 3.83Å; L373-F412 HydrophobicContact CD2-CD1 3.8Å; L373-F412 HydrophobicContact CD2-CD2 4.41Å; L373-F412 HydrophobicContact CD2-CE1 3.4Å; L373-F412 HydrophobicContact CD2-CE2 4.06Å; L373-F412 HydrophobicContact CD2-CG 4.31Å; L373-F412 HydrophobicContact CD2-CZ 3.55Å; L373-F412 HydrophobicContact CG-CZ 4.36Å; L373-W415 HydrophobicContact CD2-CZ3 3.84Å; L373-D432 WeakPolarHBondContact O-CA 3.37Å; L373-A433 PolarHBondContact N-O 3.5Å; L373-A433 PolarHBondContact O-N 3.23Å; L373-Y441 HydrophobicContact CB-CE1 4.39Å; L373-Y441 HydrophobicContact CD2-CD1 4.19Å; L373-Y441 HydrophobicContact CD2-CE1 3.94Å
374	H	96.7	Very high	95.6	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.6	169.2	-178	88.1	0	0	0	109.6	A384 F385 S430 D432 Y454	H374-A384 CarbonylContact O-C 3.56Å; H374-A384 WeakPolarHBondContact O-CA 3.32Å; H374-F385 PolarHBondContact N-O 2.84Å; H374-F385 PolarHBondContact O-N 3.32Å; H374-S430 WeakPolarHBondContact CE1-CB 3.24Å; H374-S430 PolarHBondContact CE1-OG 3.26Å; H374-S430 VanDerWaalsContact CE1-OG 3.25Å; H374-D432 IonicContact CE1-OD1 2.69Å; H374-D432 IonicContact CE1-OD2 3.3Å; H374-D432 IonicContact CG-OD1 2.74Å; H374-D432 IonicContact ND1-OD1 3.51Å; H374-D432 PolarHBondContact ND1-OD1 3.31Å; H374-D432 IonicContact ND1-OD2 3.76Å; H374-D432 PolarHBondContact ND1-OD2 3.29Å; H374-Y454 HydrophobicContact CB-CD2 4Å; H374-Y454 HydrophobicContact CB-CE2 3.77Å; H374-Y454 AromaticContact CD2-CD2 3.55Å; H374-Y454 AromaticContact CD2-CE2 3.73Å; H374-Y454 AromaticContact CE1-CE2 3.84Å; H374-Y454 AromaticContact CG-CD2 3.69Å; H374-Y454 AromaticContact CG-CE2 3.45Å; H374-Y454 VanDerWaalsContact CG-CE2 3.45Å; H374-Y454 AromaticContact ND1-CE2 3.56Å; H374-Y454 AromaticContact NE2-CD2 3.97Å; H374-Y454 AromaticContact NE2-CE2 3.98Å
375	V	98.1	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.6	174.3	-176.6	0	0	0	0	108.4	L373 A384 M408 F412 I416 S430 I431	L373-V375 HydrophobicContact CD1-CG2 4.48Å; L373-V375 HydrophobicContact CD2-CG2 3.75Å; L373-V375 HydrophobicContact CG-CG2 3.96Å; V375-A384 HydrophobicContact CG2-CB 4.13Å; V375-M408 HydrophobicContact CG1-CE 3.92Å; V375-M408 HydrophobicContact CG1-SD 3.87Å; V375-F412 HydrophobicContact CG1-CB 4.22Å; V375-F412 HydrophobicContact CG2-CB 3.98Å; V375-F412 HydrophobicContact CG2-CD2 4.26Å; V375-F412 HydrophobicContact CG2-CG 4.03Å; V375-I416 HydrophobicContact CG1-CB 4Å; V375-I416 HydrophobicContact CG1-CG2 3.97Å; V375-S430 CarbonylContact O-C 3.53Å; V375-S430 VanDerWaalsContact O-CA 3.23Å; V375-S430 WeakPolarHBondContact O-CA 3.04Å; V375-I431 HydrophobicContact CB-CG2 3.95Å; V375-I431 PolarHBondContact N-O 3.22Å; V375-I431 PolarHBondContact O-N 2.9Å
376	Q	97.9	Very high	95.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.6	-177	65	-176.2	80.4	0	0	112.3	Y382 K383 F385 C429 M451 D461	Q376-Y382 WeakPolarHBondContact O-CA 3.45Å; Q376-K383 HydrophobicContact CG-CB 3.75Å; Q376-K383 PolarHBondContact N-O 3.39Å; Q376-K383 PolarHBondContact O-N 3.1Å; Q376-K383 VanDerWaalsContact O-N 3.07Å; Q376-F385 VanDerWaalsContact OE1-CE2 3.25Å; Q376-C429 WeakPolarHBondContact CA-O 3.37Å; Q376-M451 HydrophobicContact CB-CE 3.96Å; Q376-M451 HydrophobicContact CB-SD 3.62Å; Q376-D461 PolarHBondContact NE2-OD2 3.2Å
377	K	98.5	Very high	95.3	Very high	23 Å²	23	30 Å²	30	10%	0.1	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.7	171.9	-179.8	178.5	179.8	174.4	0	109.9	G379 N381 Y382 I416 D417 S420 C429	K377-G379 VanDerWaalsContact CE-O 3.23Å; K377-G379 WeakPolarHBondContact CE-O 3.24Å; K377-N381 VanDerWaalsContact CA-O 3.32Å; K377-N381 WeakPolarHBondContact CA-O 3.48Å; K377-Y382 HydrophobicContact CB-CD1 4.44Å; K377-Y382 HydrophobicContact CD-CD1 4.37Å; K377-Y382 HydrophobicContact CD-CE1 3.69Å; K377-Y382 WeakPolarHBondContact CE-OH 3.38Å; K377-Y382 HydrophobicContact CG-CD1 4.3Å; K377-Y382 HydrophobicContact CG-CE1 4.04Å; K377-Y382 PolarHBondContact NZ-OH 3.25Å; K377-I416 HydrophobicContact CB-CD1 4.31Å; K377-I416 HydrophobicContact CB-CG1 3.49Å; K377-I416 VanDerWaalsContact CB-CG1 3.49Å; K377-I416 HydrophobicContact CD-CG1 4.4Å; K377-D417 IonicContact NZ-OD1 2.69Å; K377-D417 PolarHBondContact NZ-OD1 2.83Å; K377-S420 PolarHBondContact NZ-OG 3.38Å; K377-C429 PolarHBondContact N-O 3.19Å; K377-C429 PolarHBondContact O-N 2.91Å
378	I	98.4	Very high	95.1	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.036	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	98.6	176.5	-59.2	174.5	0	0	0	106.2	T380 N381 M451 L453 D461 E464 I465 L468	I378-T380 PolarHBondContact O-N 2.95Å; I378-N381 PolarHBondContact N-O 2.88Å; I378-N381 PolarHBondContact O-N 3.47Å; I378-M451 HydrophobicContact CD1-CE 4.15Å; I378-M451 HydrophobicContact CG1-CE 3.58Å; I378-L453 HydrophobicContact CD1-CD2 4.29Å; I378-D461 HydrophobicContact CD1-CB 3.78Å; I378-E464 HydrophobicContact CG2-CB 3.9Å; I378-I465 HydrophobicContact CD1-CD1 4.27Å; I378-I465 HydrophobicContact CD1-CG1 4.2Å; I378-I465 HydrophobicContact CG2-CG1 3.75Å; I378-L468 HydrophobicContact CG2-CD2 4.39Å
379	G	97.5	Very high	94.8	Very high	21 Å²	21	29.8 Å²	29.8	22%	0.216	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-105.4	-170.2	0	0	0	0	0	111.8	K377 D427	K377-G379 VanDerWaalsContact CE-O 3.23Å; K377-G379 WeakPolarHBondContact CE-O 3.24Å; G379-D427 PolarHBondContact N-O 3.23Å
380	T	96.8	Very high	94.3	Very high	132 Å²	132	33.8 Å²	33.8	81%	0.81	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.4	178.6	54.5	0	0	0	0	114.3	I378 Y382	I378-T380 PolarHBondContact O-N 2.95Å; T380-Y382 VanDerWaalsContact O-CD2 3.22Å; T380-Y382 WeakPolarHBondContact O-CD2 3.14Å; T380-Y382 WeakPolarHBondContact O-CE2 3.4Å
381	N	97.4	Very high	93.8	Very high	58 Å²	58	32.2 Å²	32.2	31%	0.31	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.9	-179.9	-158.2	-32.1	0	0	0	111.3	K377 I378 K383 E464	K377-N381 VanDerWaalsContact CA-O 3.32Å; K377-N381 WeakPolarHBondContact CA-O 3.48Å; I378-N381 PolarHBondContact N-O 2.88Å; I378-N381 PolarHBondContact O-N 3.47Å; N381-K383 PolarHBondContact ND2-NZ 3.29Å; N381-K383 WeakPolarHBondContact OD1-CE 3.26Å; N381-E464 WeakPolarHBondContact CB-OE2 3.36Å; N381-E464 VanDerWaalsContact CG-OE2 3.27Å; N381-E464 PolarHBondContact ND2-OE1 2.78Å; N381-E464 PolarHBondContact ND2-OE2 3.23Å
382	Y	98.1	Very high	93	Very high	63 Å²	63	35.6 Å²	35.6	25%	0.247	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.6	-178.2	-57.9	-102.3	0	0	0	109.9	Q376 K377 T380 M408 K413 I416 D417	Q376-Y382 WeakPolarHBondContact O-CA 3.45Å; K377-Y382 HydrophobicContact CB-CD1 4.44Å; K377-Y382 HydrophobicContact CD-CD1 4.37Å; K377-Y382 HydrophobicContact CD-CE1 3.69Å; K377-Y382 WeakPolarHBondContact CE-OH 3.38Å; K377-Y382 HydrophobicContact CG-CD1 4.3Å; K377-Y382 HydrophobicContact CG-CE1 4.04Å; K377-Y382 PolarHBondContact NZ-OH 3.25Å; T380-Y382 VanDerWaalsContact O-CD2 3.22Å; T380-Y382 WeakPolarHBondContact O-CD2 3.14Å; T380-Y382 WeakPolarHBondContact O-CE2 3.4Å; Y382-M408 HydrophobicContact CD1-CE 4.33Å; Y382-K413 HydrophobicContact CD1-CG 4.44Å; Y382-K413 HydrophobicContact CE1-CG 4.22Å; Y382-I416 HydrophobicContact CD1-CG2 3.8Å; Y382-I416 HydrophobicContact CE1-CG2 4.04Å; Y382-D417 PolarHBondContact OH-OD1 3.14Å; Y382-D417 VanDerWaalsContact OH-OD1 3.1Å
383	K	97.7	Very high	92.3	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146	178.4	-67.4	152.7	-175.4	161.7	0	109.5	Q376 N381 F385 D461 E464	Q376-K383 HydrophobicContact CG-CB 3.75Å; Q376-K383 PolarHBondContact N-O 3.39Å; Q376-K383 PolarHBondContact O-N 3.1Å; Q376-K383 VanDerWaalsContact O-N 3.07Å; N381-K383 PolarHBondContact ND2-NZ 3.29Å; N381-K383 WeakPolarHBondContact OD1-CE 3.26Å; K383-F385 HydrophobicContact CB-CE2 3.78Å; K383-F385 HydrophobicContact CB-CZ 4.31Å; K383-D461 WeakPolarHBondContact CD-OD1 3.37Å; K383-D461 WeakPolarHBondContact CE-OD1 3.36Å; K383-D461 IonicContact NZ-OD1 2.59Å; K383-D461 PolarHBondContact NZ-OD1 2.94Å; K383-E464 IonicContact NZ-OE1 2.65Å; K383-E464 PolarHBondContact NZ-OE1 2.83Å; K383-E464 IonicContact NZ-OE2 3.03Å; K383-E464 PolarHBondContact NZ-OE2 3.07Å
384	A	97.5	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.2	175.2	0	0	0	0	0	110.8	H374 V375 K405 V406 M408 F412	H374-A384 CarbonylContact O-C 3.56Å; H374-A384 WeakPolarHBondContact O-CA 3.32Å; V375-A384 HydrophobicContact CG2-CB 4.13Å; A384-K405 WeakPolarHBondContact O-CG 3.36Å; A384-V406 HydrophobicContact CB-CG2 3.64Å; A384-V406 PolarHBondContact O-N 2.86Å; A384-M408 HydrophobicContact CB-SD 3.77Å; A384-F412 HydrophobicContact CB-CD2 4.12Å
385	F	96.2	Very high	90.9	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143	-178.4	-61.1	-89.1	0	0	0	110.5	L373 H374 Q376 K383 L403 E404 K405 S457	L373-F385 WeakPolarHBondContact CA-O 3.1Å; H374-F385 PolarHBondContact N-O 2.84Å; H374-F385 PolarHBondContact O-N 3.32Å; Q376-F385 VanDerWaalsContact OE1-CE2 3.25Å; K383-F385 HydrophobicContact CB-CE2 3.78Å; K383-F385 HydrophobicContact CB-CZ 4.31Å; F385-L403 HydrophobicContact CB-CD1 3.98Å; F385-L403 HydrophobicContact CD1-CD2 4.25Å; F385-L403 HydrophobicContact CD1-CG 4.39Å; F385-E404 WeakPolarHBondContact CA-O 3.45Å; F385-K405 HydrophobicContact CD1-CB 3.92Å; F385-K405 HydrophobicContact CD1-CG 4.14Å; F385-K405 HydrophobicContact CE1-CB 3.84Å; F385-K405 HydrophobicContact CE1-CD 4.22Å; F385-K405 HydrophobicContact CE1-CG 3.84Å; F385-K405 HydrophobicContact CZ-CD 4.48Å; F385-K405 HydrophobicContact CZ-CG 4.36Å; F385-S457 WeakPolarHBondContact CZ-OG 3.45Å
386	M	94	Very high	89.7	Confident	25 Å²	25	43.8 Å²	43.8	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.3	174.7	-176.7	176.4	-79.8	0	0	109.1	C371 D372 K388 L403 E404 V406	C371-M386 HydrophobicContact CB-CG 3.6Å; C371-M386 HydrophobicContact CB-SD 4.15Å; D372-M386 CarbonylContact O-C 3.57Å; D372-M386 WeakPolarHBondContact O-CA 3.24Å; M386-K388 VanDerWaalsContact SD-CE 3.5Å; M386-L403 WeakPolarHBondContact O-CA 3.46Å; M386-E404 PolarHBondContact N-O 2.87Å; M386-E404 PolarHBondContact O-N 2.75Å; M386-V406 HydrophobicContact CB-CG1 3.77Å
387	R	91	Very high	88.5	Confident	22 Å²	22	46.4 Å²	46.4	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124	-177.9	179	-174.5	-76.4	-100.5	-0.4	109.2	C371 D372 S396 A401 L402 L403	C371-R387 CarbonylContact C-O 3.38Å; C371-R387 WeakPolarHBondContact CA-O 3.32Å; C371-R387 WeakPolarHBondContact CB-O 3.32Å; D372-R387 HydrophobicContact CB-CB 4.4Å; D372-R387 PolarHBondContact N-O 3.02Å; D372-R387 PolarHBondContact O-N 3.26Å; R387-S396 WeakPolarHBondContact CD-OG 3.31Å; R387-S396 WeakPolarHBondContact CG-OG 3.29Å; R387-A401 HydrophobicContact CG-CB 3.75Å; R387-L402 CarbonylContact C-O 3.11Å; R387-L402 WeakPolarHBondContact CA-O 3.49Å; R387-L403 HydrophobicContact CB-CD1 4.12Å
388	K	90.6	Very high	87	Confident	57 Å²	57	47.4 Å²	47.4	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.7	179.9	-70.7	158.8	-174.6	166.2	0	108.9	C371 M386 I390 A401 L402 E404	C371-K388 HydrophobicContact CB-CG 3.66Å; M386-K388 VanDerWaalsContact SD-CE 3.5Å; K388-I390 PolarHBondContact O-N 2.84Å; K388-A401 CarbonylContact O-C 3.56Å; K388-A401 VanDerWaalsContact O-CA 3.24Å; K388-A401 WeakPolarHBondContact O-CA 3.31Å; K388-A401 WeakPolarHBondContact O-CB 3.14Å; K388-L402 HydrophobicContact CB-CB 4.41Å; K388-L402 PolarHBondContact N-O 2.98Å; K388-L402 PolarHBondContact O-N 3.06Å; K388-E404 IonicContact NZ-OE2 3.24Å; K388-E404 PolarHBondContact NZ-OE2 2.93Å
389	A	84.9	Confident	85.8	Confident	41 Å²	41	48.2 Å²	48.2	34%	0.339	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.3	175.7	0	0	0	0	0	110.4	N393	A389-N393 WeakPolarHBondContact CB-O 3.48Å
390	I	81.2	Confident	85.1	Confident	115 Å²	115	49.9 Å²	49.9	59%	0.59	29%	0.291	S	S	*	.	S	Bend	trans	-97.8	-28.8	171.4	-49.3	172.2	0	0	0	109.7	K388 G392 S400 L402	K388-I390 PolarHBondContact O-N 2.84Å; I390-G392 PolarHBondContact O-N 3.42Å; I390-S400 PolarHBondContact N-O 3.32Å; I390-L402 HydrophobicContact CD1-CB 3.97Å; I390-L402 HydrophobicContact CG1-CB 4.12Å
391	S	76.9	Confident	84.5	Confident	64 Å²	64	44.1 Å²	44.1	45%	0.448	26%	0.257	S	S	.	.	S	Bend	trans	-69.1	-5.9	178.9	54.4	0	0	0	0	115.3	N393 S400	S391-N393 PolarHBondContact O-N 2.8Å; S391-N393 WeakPolarHBondContact OG-CB 3.23Å; S391-N393 PolarHBondContact OG-N 2.92Å; S391-S400 PolarHBondContact N-O 2.86Å
392	G	75	Confident	84.1	Confident	74 Å²	74	44 Å²	44	76%	0.763	26%	0.256	S	S	*	.			trans	68.8	1.4	-169.3	0	0	0	0	0	114.5	I390	I390-G392 PolarHBondContact O-N 3.42Å
393	N	78	Confident	83.7	Confident	51 Å²	51	43.5 Å²	43.5	27%	0.273	26%	0.257	S	S	.	.			trans	-72.5	128.1	177.7	-170.3	-2.8	0	0	0	110.5	A389 S391 K395 T398	A389-N393 WeakPolarHBondContact CB-O 3.48Å; S391-N393 PolarHBondContact O-N 2.8Å; S391-N393 WeakPolarHBondContact OG-CB 3.23Å; S391-N393 PolarHBondContact OG-N 2.92Å; N393-K395 PolarHBondContact O-N 2.84Å; N393-K395 PolarHBondContact OD1-N 3.34Å; N393-K395 VanDerWaalsContact OD1-N 3.12Å; N393-T398 WeakPolarHBondContact ND2-CB 3.29Å; N393-T398 PolarHBondContact ND2-O 2.84Å
394	W	81.4	Confident	83.5	Confident	100 Å²	100	45.5 Å²	45.5	38%	0.379	27%	0.267	S	S	.	.	S	Bend	trans	-65.4	-24.9	177	72.4	-94.5	0	0	0	112.8	I326 K340 F366 S396	I326-W394 HydrophobicContact CD1-CE3 4.1Å; I326-W394 HydrophobicContact CD1-CH2 3.41Å; I326-W394 VanDerWaalsContact CD1-CH2 3.41Å; I326-W394 HydrophobicContact CD1-CZ2 3.87Å; I326-W394 HydrophobicContact CD1-CZ3 3.54Å; I326-W394 HydrophobicContact CG1-CH2 4.23Å; I326-W394 HydrophobicContact CG1-CZ3 4.07Å; I326-W394 HydrophobicContact CG2-CH2 4.25Å; K340-W394 HydrophobicContact CB-CZ2 3.86Å; F366-W394 HydrophobicContact CE2-CB 3.84Å; F366-W394 HydrophobicContact CE2-CD2 4.24Å; F366-W394 HydrophobicContact CE2-CE3 4.27Å; F366-W394 HydrophobicContact CE2-CG 4.09Å; F366-W394 HydrophobicContact CZ-CB 4.21Å; W394-S396 PolarHBondContact O-N 2.67Å
395	K	81.2	Confident	83.3	Confident	44 Å²	44	52.1 Å²	52.1	19%	0.191	30%	0.296	C	S	.	.			trans	-79.8	87.2	164.4	-62	-178.3	-175.6	178	0	108.2	G335 K338 N393 N397 T398	G335-K395 PolarHBondContact O-NZ 2.67Å; K338-K395 VanDerWaalsContact O-CE 3.24Å; K338-K395 WeakPolarHBondContact O-CE 3.23Å; K338-K395 PolarHBondContact O-NZ 2.86Å; N393-K395 PolarHBondContact O-N 2.84Å; N393-K395 PolarHBondContact OD1-N 3.34Å; N393-K395 VanDerWaalsContact OD1-N 3.12Å; K395-N397 PolarHBondContact O-N 2.72Å; K395-T398 PolarHBondContact O-N 3.33Å
396	S	73.6	Confident	83.3	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.035	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.5	-179	100.6	0	0	0	0	112.9	D372 R387 W394 T398	D372-S396 PolarHBondContact OD1-OG 2.7Å; D372-S396 WeakPolarHBondContact OD2-CB 3.42Å; D372-S396 PolarHBondContact OD2-OG 3.33Å; R387-S396 WeakPolarHBondContact CD-OG 3.31Å; R387-S396 WeakPolarHBondContact CG-OG 3.29Å; W394-S396 PolarHBondContact O-N 2.67Å; S396-T398 VanDerWaalsContact C-N 3.25Å; S396-T398 PolarHBondContact O-N 3.25Å
397	N	71.6	Confident	83.4	Confident	56 Å²	56	57.4 Å²	57.4	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.2	174.3	83.2	-94	0	0	0	114.4	R334 K395	R334-N397 PolarHBondContact O-ND2 2.82Å; K395-N397 PolarHBondContact O-N 2.72Å
398	T	68.2	Low	83.7	Confident	45 Å²	45	59.2 Å²	59.2	28%	0.276	34%	0.342	S	S	.	.	S	Bend	trans	-118.4	110.3	-174.4	-59.4	0	0	0	0	110.5	D17 N393 K395 S396	D17-T398 WeakPolarHBondContact OD2-CA 3.29Å; N393-T398 WeakPolarHBondContact ND2-CB 3.29Å; N393-T398 PolarHBondContact ND2-O 2.84Å; K395-T398 PolarHBondContact O-N 3.33Å; S396-T398 VanDerWaalsContact C-N 3.25Å; S396-T398 PolarHBondContact O-N 3.25Å
399	G	73	Confident	84	Confident	23 Å²	23	59.6 Å²	59.6	24%	0.237	35%	0.347	C	S	.	.	S	Bend	trans	82.2	-152.8	-175.8	0	0	0	0	0	114.5	D17 A401	D17-G399 PolarHBondContact OD2-N 3.04Å; G399-A401 PolarHBondContact O-N 3.31Å
400	S	82.2	Confident	84.6	Confident	57 Å²	57	64.2 Å²	64.2	40%	0.399	37%	0.365	S	S	.	.			trans	-72.7	117.2	-170	-69.4	0	0	0	0	113.9	I390 S391	I390-S400 PolarHBondContact N-O 3.32Å; S391-S400 PolarHBondContact N-O 2.86Å
401	A	84.9	Confident	85.4	Confident	10 Å²	10	62.6 Å²	62.6	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.9	173.7	0	0	0	0	0	111.8	R387 K388 G399	R387-A401 HydrophobicContact CG-CB 3.75Å; K388-A401 CarbonylContact O-C 3.56Å; K388-A401 VanDerWaalsContact O-CA 3.24Å; K388-A401 WeakPolarHBondContact O-CA 3.31Å; K388-A401 WeakPolarHBondContact O-CB 3.14Å; G399-A401 PolarHBondContact O-N 3.31Å
402	L	88.3	Confident	86.4	Confident	55 Å²	55	59.9 Å²	59.9	29%	0.288	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.6	168.4	172.8	60.7	0	0	0	108.5	R387 K388 I390 E404	R387-L402 CarbonylContact C-O 3.11Å; R387-L402 WeakPolarHBondContact CA-O 3.49Å; K388-L402 HydrophobicContact CB-CB 4.41Å; K388-L402 PolarHBondContact N-O 2.98Å; K388-L402 PolarHBondContact O-N 3.06Å; I390-L402 HydrophobicContact CD1-CB 3.97Å; I390-L402 HydrophobicContact CG1-CB 4.12Å; L402-E404 HydrophobicContact CD1-CG 4.2Å; L402-E404 HydrophobicContact CD2-CG 4.34Å; L402-E404 HydrophobicContact CG-CG 4Å
403	L	91.1	Very high	87.5	Confident	54 Å²	54	60.3 Å²	60.3	28%	0.283	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.5	175.6	-172	80	0	0	0	110	F385 M386 R387 G455	F385-L403 HydrophobicContact CB-CD1 3.98Å; F385-L403 HydrophobicContact CD1-CD2 4.25Å; F385-L403 HydrophobicContact CD1-CG 4.39Å; M386-L403 WeakPolarHBondContact O-CA 3.46Å; R387-L403 HydrophobicContact CB-CD1 4.12Å; L403-G455 VanDerWaalsContact CD2-CA 3.44Å; L403-G455 VanDerWaalsContact CD2-N 3.25Å
404	E	92.5	Very high	88.5	Confident	52 Å²	52	60.5 Å²	60.5	24%	0.243	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.6	-180	-64.6	179.1	142.5	0	0	109.1	K10 F385 M386 K388 L402	K10-E404 IonicContact NZ-OE1 2.72Å; K10-E404 PolarHBondContact NZ-OE1 3.2Å; F385-E404 WeakPolarHBondContact CA-O 3.45Å; M386-E404 PolarHBondContact N-O 2.87Å; M386-E404 PolarHBondContact O-N 2.75Å; K388-E404 IonicContact NZ-OE2 3.24Å; K388-E404 PolarHBondContact NZ-OE2 2.93Å; L402-E404 HydrophobicContact CD1-CG 4.2Å; L402-E404 HydrophobicContact CD2-CG 4.34Å; L402-E404 HydrophobicContact CG-CG 4Å
405	K	94.3	Very high	89.4	Confident	139 Å²	139	55.8 Å²	55.8	60%	0.604	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	131.4	173.9	-172.6	179.8	179.1	-179.1	0	109.1	A384 F385	A384-K405 WeakPolarHBondContact O-CG 3.36Å; F385-K405 HydrophobicContact CD1-CB 3.92Å; F385-K405 HydrophobicContact CD1-CG 4.14Å; F385-K405 HydrophobicContact CE1-CB 3.84Å; F385-K405 HydrophobicContact CE1-CD 4.22Å; F385-K405 HydrophobicContact CE1-CG 3.84Å; F385-K405 HydrophobicContact CZ-CD 4.48Å; F385-K405 HydrophobicContact CZ-CG 4.36Å
406	V	95.1	Very high	90.2	Very high	30 Å²	30	53.7 Å²	53.7	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.9	-179.2	-63.1	0	0	0	0	110.8	L373 A384 M386 F412	L373-V406 HydrophobicContact CD1-CG2 3.95Å; A384-V406 HydrophobicContact CB-CG2 3.64Å; A384-V406 PolarHBondContact O-N 2.86Å; M386-V406 HydrophobicContact CB-CG1 3.77Å; V406-F412 HydrophobicContact CG2-CE2 4.38Å
407	P	96.7	Very high	91.4	Very high	111 Å²	111	54.3 Å²	54.3	72%	0.721	29%	0.292	S	S	*	.			trans	-65.3	145.2	176.4	27	-34.8	0	0	0	111.4
408	M	97.5	Very high	92.7	Very high	60 Å²	60	52.2 Å²	52.2	30%	0.296	28%	0.28	S	S	.	.			trans	-66.6	149.1	166.1	-75	-62.7	-61	0	0	110.4	V375 Y382 A384 F412 K413	V375-M408 HydrophobicContact CG1-CE 3.92Å; V375-M408 HydrophobicContact CG1-SD 3.87Å; Y382-M408 HydrophobicContact CD1-CE 4.33Å; A384-M408 HydrophobicContact CB-SD 3.77Å; M408-F412 HydrophobicContact CE-CB 3.82Å; M408-F412 HydrophobicContact SD-CB 4.29Å; M408-K413 HydrophobicContact CE-CB 3.99Å
409	N	97.1	Very high	94.1	Very high	66 Å²	66	50 Å²	50	35%	0.353	27%	0.267	S	S	.	.			trans	-139.5	169.9	170.4	61.7	59.9	0	0	0	109.1	K411 F412 K413	N409-K411 VanDerWaalsContact C-N 3.26Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 WeakPolarHBondContact OD1-CA 3.19Å; N409-K411 WeakPolarHBondContact OD1-CB 3.4Å; N409-K411 PolarHBondContact OD1-N 2.86Å; N409-F412 WeakPolarHBondContact ND2-CD2 3.45Å; N409-F412 WeakPolarHBondContact ND2-CE2 3.41Å; N409-F412 WeakPolarHBondContact ND2-CZ 3.39Å; N409-F412 PolarHBondContact O-N 2.94Å; N409-F412 WeakPolarHBondContact OD1-CG 3.44Å; N409-F412 PolarHBondContact OD1-N 2.97Å; N409-K413 WeakPolarHBondContact O-CB 3.31Å; N409-K413 PolarHBondContact O-N 2.99Å
410	D	97.8	Very high	95.3	Very high	137 Å²	137	49.6 Å²	49.6	73%	0.733	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-29.9	-175.2	-59.3	-53.9	0	0	0	113.5	K413 L414	D410-K413 PolarHBondContact O-N 3.49Å; D410-L414 VanDerWaalsContact O-CB 3.25Å; D410-L414 WeakPolarHBondContact O-CB 3.41Å; D410-L414 PolarHBondContact O-N 3.02Å
411	K	97.4	Very high	96.1	Very high	81 Å²	81	53.6 Å²	53.6	35%	0.352	27%	0.267	S	S	.	.	H	α-helix	trans	-67	-49.3	176.1	-158.7	179.3	-163.9	-179.9	0	110.9	E301 N409 K413 L414 W415	E301-K411 WeakPolarHBondContact O-CE 3.46Å; E301-K411 PolarHBondContact O-NZ 2.99Å; N409-K411 VanDerWaalsContact C-N 3.26Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 WeakPolarHBondContact OD1-CA 3.19Å; N409-K411 WeakPolarHBondContact OD1-CB 3.4Å; N409-K411 PolarHBondContact OD1-N 2.86Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 3.38Å; K411-L414 PolarHBondContact O-N 3Å; K411-W415 HydrophobicContact CD-CH2 4.41Å; K411-W415 HydrophobicContact CD-CZ2 3.68Å; K411-W415 HydrophobicContact CG-CZ2 3.75Å; K411-W415 VanDerWaalsContact O-CD1 3.22Å; K411-W415 PolarHBondContact O-N 2.93Å; K411-W415 VanDerWaalsContact O-N 3.12Å
412	F	98.3	Very high	96.7	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-39.2	176.1	-62.6	-7.2	0	0	0	111.4	L373 V375 A384 V406 M408 N409 W415 I416 Y441	L373-F412 HydrophobicContact CD1-CE2 3.83Å; L373-F412 HydrophobicContact CD1-CZ 3.83Å; L373-F412 HydrophobicContact CD2-CD1 3.8Å; L373-F412 HydrophobicContact CD2-CD2 4.41Å; L373-F412 HydrophobicContact CD2-CE1 3.4Å; L373-F412 HydrophobicContact CD2-CE2 4.06Å; L373-F412 HydrophobicContact CD2-CG 4.31Å; L373-F412 HydrophobicContact CD2-CZ 3.55Å; L373-F412 HydrophobicContact CG-CZ 4.36Å; V375-F412 HydrophobicContact CG1-CB 4.22Å; V375-F412 HydrophobicContact CG2-CB 3.98Å; V375-F412 HydrophobicContact CG2-CD2 4.26Å; V375-F412 HydrophobicContact CG2-CG 4.03Å; A384-F412 HydrophobicContact CB-CD2 4.12Å; V406-F412 HydrophobicContact CG2-CE2 4.38Å; M408-F412 HydrophobicContact CE-CB 3.82Å; M408-F412 HydrophobicContact SD-CB 4.29Å; N409-F412 WeakPolarHBondContact ND2-CD2 3.45Å; N409-F412 WeakPolarHBondContact ND2-CE2 3.41Å; N409-F412 WeakPolarHBondContact ND2-CZ 3.39Å; N409-F412 PolarHBondContact O-N 2.94Å; N409-F412 WeakPolarHBondContact OD1-CG 3.44Å; N409-F412 PolarHBondContact OD1-N 2.97Å; F412-W415 HydrophobicContact CD1-CE3 4.05Å; F412-W415 HydrophobicContact CD1-CH2 4.26Å; F412-W415 AromaticContact CD1-CZ3 3.76Å; F412-W415 HydrophobicContact CD1-CZ3 3.76Å; F412-W415 HydrophobicContact CE1-CH2 4.3Å; F412-W415 HydrophobicContact CE1-CZ3 4.02Å; F412-W415 PolarHBondContact O-N 2.82Å; F412-I416 WeakPolarHBondContact O-CG2 3.45Å; F412-I416 PolarHBondContact O-N 3.39Å; F412-Y441 HydrophobicContact CE1-CE1 4.13Å; F412-Y441 HydrophobicContact CZ-CE1 4.21Å
413	K	98.5	Very high	97.2	Very high	82 Å²	82	52.3 Å²	52.3	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-45.5	177.5	-170.3	-179.1	-177.6	-63.4	0	111.7	Y382 M408 N409 D410 K411 W415 I416 D417	Y382-K413 HydrophobicContact CD1-CG 4.44Å; Y382-K413 HydrophobicContact CE1-CG 4.22Å; M408-K413 HydrophobicContact CE-CB 3.99Å; N409-K413 WeakPolarHBondContact O-CB 3.31Å; N409-K413 PolarHBondContact O-N 2.99Å; D410-K413 PolarHBondContact O-N 3.49Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 3.38Å; K413-W415 VanDerWaalsContact C-N 3.33Å; K413-W415 PolarHBondContact O-N 3.29Å; K413-I416 PolarHBondContact O-N 3.31Å; K413-D417 IonicContact NZ-OD2 3.42Å; K413-D417 PolarHBondContact NZ-OD2 2.86Å; K413-D417 VanDerWaalsContact O-CB 3.27Å; K413-D417 WeakPolarHBondContact O-CB 3.4Å; K413-D417 PolarHBondContact O-N 2.92Å
414	L	98.6	Very high	97.4	Very high	55 Å²	55	53.8 Å²	53.8	29%	0.288	29%	0.286	S	S	.	.	H	α-helix	trans	-55.4	-48.4	174.7	173.9	63	0	0	0	111.1	L298 N302 D410 K411 D417 E418	L298-L414 HydrophobicContact CD1-CD1 4.25Å; L298-L414 HydrophobicContact CD1-CD2 4.4Å; L298-L414 HydrophobicContact CD1-CG 4.38Å; N302-L414 HydrophobicContact CB-CD2 4.4Å; D410-L414 VanDerWaalsContact O-CB 3.25Å; D410-L414 WeakPolarHBondContact O-CB 3.41Å; D410-L414 PolarHBondContact O-N 3.02Å; K411-L414 PolarHBondContact O-N 3Å; L414-D417 PolarHBondContact O-N 2.89Å; L414-E418 HydrophobicContact CD1-CG 4.08Å; L414-E418 VanDerWaalsContact O-CG 3.26Å; L414-E418 WeakPolarHBondContact O-CG 3.27Å; L414-E418 PolarHBondContact O-N 3.46Å
415	W	98.7	Very high	97.6	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-51.8	-178.9	-64.4	-9.8	0	0	0	112.9	N302 F303 P304 L373 K411 F412 K413 E418 V419 I431 A433 Y441 I443	N302-W415 PolarHBondContact O-NE1 3.42Å; F303-W415 AromaticContact CD2-CD1 3.71Å; F303-W415 HydrophobicContact CD2-CG 4.3Å; F303-W415 HydrophobicContact CE2-CB 4.31Å; F303-W415 HydrophobicContact CE2-CG 4.46Å; P304-W415 HydrophobicContact CG-CH2 4.34Å; P304-W415 HydrophobicContact CG-CZ2 3.68Å; L373-W415 HydrophobicContact CD2-CZ3 3.84Å; K411-W415 HydrophobicContact CD-CH2 4.41Å; K411-W415 HydrophobicContact CD-CZ2 3.68Å; K411-W415 HydrophobicContact CG-CZ2 3.75Å; K411-W415 VanDerWaalsContact O-CD1 3.22Å; K411-W415 PolarHBondContact O-N 2.93Å; K411-W415 VanDerWaalsContact O-N 3.12Å; F412-W415 HydrophobicContact CD1-CE3 4.05Å; F412-W415 HydrophobicContact CD1-CH2 4.26Å; F412-W415 AromaticContact CD1-CZ3 3.76Å; F412-W415 HydrophobicContact CD1-CZ3 3.76Å; F412-W415 HydrophobicContact CE1-CH2 4.3Å; F412-W415 HydrophobicContact CE1-CZ3 4.02Å; F412-W415 PolarHBondContact O-N 2.82Å; K413-W415 VanDerWaalsContact C-N 3.33Å; K413-W415 PolarHBondContact O-N 3.29Å; W415-E418 PolarHBondContact O-N 2.9Å; W415-V419 PolarHBondContact O-N 3.36Å; W415-V419 VanDerWaalsContact O-N 3.14Å; W415-I431 HydrophobicContact CB-CD1 3.91Å; W415-I431 HydrophobicContact CB-CG2 4.03Å; W415-A433 HydrophobicContact CZ3-CB 4.37Å; W415-Y441 HydrophobicContact CH2-CD1 4.2Å; W415-Y441 HydrophobicContact CH2-CD2 4.39Å; W415-Y441 AromaticContact CH2-CG 3.85Å; W415-Y441 HydrophobicContact CH2-CG 3.85Å; W415-I443 HydrophobicContact CD2-CD1 3.84Å; W415-I443 HydrophobicContact CD2-CG1 4.33Å; W415-I443 HydrophobicContact CE3-CD1 4.29Å; W415-I443 HydrophobicContact CE3-CG1 4.29Å; W415-I443 HydrophobicContact CG-CD1 4.03Å; W415-I443 HydrophobicContact CZ2-CD1 4.38Å; W415-I443 HydrophobicContact CZ3-CG1 4.42Å
416	I	98.7	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-74.6	-29.8	-177.3	-166.1	58.8	0	0	0	112.4	V375 K377 Y382 F412 K413 V419 S420 C429 I431	V375-I416 HydrophobicContact CG1-CB 4Å; V375-I416 HydrophobicContact CG1-CG2 3.97Å; K377-I416 HydrophobicContact CB-CD1 4.31Å; K377-I416 HydrophobicContact CB-CG1 3.49Å; K377-I416 VanDerWaalsContact CB-CG1 3.49Å; K377-I416 HydrophobicContact CD-CG1 4.4Å; Y382-I416 HydrophobicContact CD1-CG2 3.8Å; Y382-I416 HydrophobicContact CE1-CG2 4.04Å; F412-I416 WeakPolarHBondContact O-CG2 3.45Å; F412-I416 PolarHBondContact O-N 3.39Å; K413-I416 PolarHBondContact O-N 3.31Å; I416-V419 HydrophobicContact CD1-CB 4.42Å; I416-V419 HydrophobicContact CD1-CG1 4.43Å; I416-S420 VanDerWaalsContact O-CB 3.31Å; I416-S420 WeakPolarHBondContact O-CB 3.4Å; I416-S420 PolarHBondContact O-N 2.88Å; I416-S420 PolarHBondContact O-OG 3.09Å; I416-C429 HydrophobicContact CD1-CB 4.38Å; I416-I431 HydrophobicContact CB-CG2 4.22Å; I416-I431 HydrophobicContact CD1-CB 4.28Å; I416-I431 HydrophobicContact CD1-CG2 4.15Å
417	D	98.7	Very high	98	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-39.2	172.2	-85.6	-25.7	0	0	0	112.1	K377 Y382 K413 L414 S420 R421	K377-D417 IonicContact NZ-OD1 2.69Å; K377-D417 PolarHBondContact NZ-OD1 2.83Å; Y382-D417 PolarHBondContact OH-OD1 3.14Å; Y382-D417 VanDerWaalsContact OH-OD1 3.1Å; K413-D417 IonicContact NZ-OD2 3.42Å; K413-D417 PolarHBondContact NZ-OD2 2.86Å; K413-D417 VanDerWaalsContact O-CB 3.27Å; K413-D417 WeakPolarHBondContact O-CB 3.4Å; K413-D417 PolarHBondContact O-N 2.92Å; L414-D417 PolarHBondContact O-N 2.89Å; D417-S420 WeakPolarHBondContact CA-OG 3.37Å; D417-S420 PolarHBondContact O-N 3.04Å; D417-S420 PolarHBondContact O-OG 3.07Å; D417-R421 WeakPolarHBondContact O-CG 3.42Å; D417-R421 PolarHBondContact O-N 3.48Å
418	E	98.6	Very high	98.1	Very high	11 Å²	11	41.3 Å²	41.3	5%	0.051	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-43.5	175.7	-68.5	-73.2	-169.9	0	0	112.4	I294 R297 L298 L414 W415 S420 R421	I294-E418 HydrophobicContact CD1-CB 4.11Å; I294-E418 HydrophobicContact CG1-CB 4.5Å; I294-E418 HydrophobicContact CG2-CB 3.88Å; I294-E418 HydrophobicContact CG2-CG 4.14Å; R297-E418 IonicContact CZ-OE1 3.89Å; R297-E418 IonicContact CZ-OE2 2.74Å; R297-E418 IonicContact NH1-OE1 3.43Å; R297-E418 PolarHBondContact NH1-OE1 3.25Å; R297-E418 IonicContact NH1-OE2 3.3Å; R297-E418 IonicContact NH2-OE1 2.7Å; R297-E418 PolarHBondContact NH2-OE1 3.16Å; R297-E418 IonicContact NH2-OE2 3.76Å; R297-E418 PolarHBondContact NH2-OE2 2.8Å; L298-E418 HydrophobicContact CD1-CG 3.88Å; L414-E418 HydrophobicContact CD1-CG 4.08Å; L414-E418 VanDerWaalsContact O-CG 3.26Å; L414-E418 WeakPolarHBondContact O-CG 3.27Å; L414-E418 PolarHBondContact O-N 3.46Å; W415-E418 PolarHBondContact O-N 2.9Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 3.09Å; E418-R421 PolarHBondContact O-N 3.25Å; E418-R421 IonicContact OE1-NH1 3.09Å; E418-R421 PolarHBondContact OE1-NH1 2.99Å; E418-R421 VanDerWaalsContact OE1-NH1 3.08Å; E418-R421 IonicContact OE2-CZ 2.75Å; E418-R421 IonicContact OE2-NH1 2.67Å; E418-R421 PolarHBondContact OE2-NH1 3.2Å
419	V	98.6	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-41.3	172.3	168.4	0	0	0	0	110.8	L291 W415 I416 R421 L422 L426 C429 I431 A446	L291-V419 HydrophobicContact CD2-CG2 3.97Å; W415-V419 PolarHBondContact O-N 3.36Å; W415-V419 VanDerWaalsContact O-N 3.14Å; I416-V419 HydrophobicContact CD1-CB 4.42Å; I416-V419 HydrophobicContact CD1-CG1 4.43Å; V419-R421 PolarHBondContact O-N 2.91Å; V419-L422 WeakPolarHBondContact O-CB 3.24Å; V419-L422 WeakPolarHBondContact O-CG 3.37Å; V419-L422 PolarHBondContact O-N 3.44Å; V419-L422 VanDerWaalsContact O-N 3.09Å; V419-L426 HydrophobicContact CG1-CD1 4.03Å; V419-L426 VanDerWaalsContact O-CD1 3.29Å; V419-L426 WeakPolarHBondContact O-CD1 3.24Å; V419-C429 HydrophobicContact CG1-CB 4.18Å; V419-I431 HydrophobicContact CG2-CB 4.19Å; V419-I431 HydrophobicContact CG2-CD1 3.73Å; V419-I431 HydrophobicContact CG2-CG1 4.12Å; V419-A446 HydrophobicContact CG1-CB 4.1Å; V419-A446 HydrophobicContact CG2-CB 4.24Å
420	S	98.5	Very high	98.2	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.5	-178.9	75.4	0	0	0	0	115.5	K377 I416 D417 E418 G425 L426	K377-S420 PolarHBondContact NZ-OG 3.38Å; I416-S420 VanDerWaalsContact O-CB 3.31Å; I416-S420 WeakPolarHBondContact O-CB 3.4Å; I416-S420 PolarHBondContact O-N 2.88Å; I416-S420 PolarHBondContact O-OG 3.09Å; D417-S420 WeakPolarHBondContact CA-OG 3.37Å; D417-S420 PolarHBondContact O-N 3.04Å; D417-S420 PolarHBondContact O-OG 3.07Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 3.09Å; S420-G425 WeakPolarHBondContact O-CA 3.42Å; S420-L426 PolarHBondContact O-N 3.27Å
421	R	98.4	Very high	98.2	Very high	140 Å²	140	28.9 Å²	28.9	53%	0.528	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.8	175.7	-65.2	165.7	-165.2	147.8	3.9	113.4	D417 E418 V419	D417-R421 WeakPolarHBondContact O-CG 3.42Å; D417-R421 PolarHBondContact O-N 3.48Å; E418-R421 PolarHBondContact O-N 3.25Å; E418-R421 IonicContact OE1-NH1 3.09Å; E418-R421 PolarHBondContact OE1-NH1 2.99Å; E418-R421 VanDerWaalsContact OE1-NH1 3.08Å; E418-R421 IonicContact OE2-CZ 2.75Å; E418-R421 IonicContact OE2-NH1 2.67Å; E418-R421 PolarHBondContact OE2-NH1 3.2Å; V419-R421 PolarHBondContact O-N 2.91Å
422	L	98.3	Very high	98.2	Very high	17 Å²	17	25.5 Å²	25.5	9%	0.089	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-66.1	149.2	-178.3	-65.4	179	0	0	0	111.7	L287 H290 L291 I294 V419 G424 G425	L287-L422 HydrophobicContact CD1-CD1 4.02Å; H290-L422 HydrophobicContact CB-CD1 4.27Å; H290-L422 HydrophobicContact CB-CD2 3.9Å; L291-L422 HydrophobicContact CD2-CD1 4.27Å; I294-L422 HydrophobicContact CD1-CD1 4.28Å; I294-L422 HydrophobicContact CD1-CD2 4.04Å; I294-L422 HydrophobicContact CD1-CG 4.32Å; V419-L422 WeakPolarHBondContact O-CB 3.24Å; V419-L422 WeakPolarHBondContact O-CG 3.37Å; V419-L422 PolarHBondContact O-N 3.44Å; V419-L422 VanDerWaalsContact O-N 3.09Å; L422-G424 VanDerWaalsContact C-N 3.26Å; L422-G424 PolarHBondContact O-N 3.45Å; L422-G424 VanDerWaalsContact O-N 3.15Å; L422-G425 PolarHBondContact O-N 3.06Å
423	F	97.7	Very high	98.1	Very high	21 Å²	21	25.1 Å²	25.1	9%	0.092	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	51.7	37.2	173.4	-45.3	-63.9	0	0	0	115.2	H276 A277 N280 M281 W286 L287 H290 G425	H276-F423 PolarHBondContact CD2-O 3.24Å; A277-F423 HydrophobicContact CB-CB 3.9Å; N280-F423 HydrophobicContact CB-CD1 3.42Å; N280-F423 VanDerWaalsContact CB-CD1 3.42Å; N280-F423 HydrophobicContact CB-CD2 4.1Å; N280-F423 HydrophobicContact CB-CE1 3.47Å; N280-F423 VanDerWaalsContact CB-CE1 3.47Å; N280-F423 HydrophobicContact CB-CE2 4.15Å; N280-F423 HydrophobicContact CB-CG 3.76Å; N280-F423 HydrophobicContact CB-CZ 3.85Å; M281-F423 HydrophobicContact CG-CD2 3.72Å; M281-F423 HydrophobicContact CG-CE2 3.63Å; M281-F423 HydrophobicContact SD-CD2 4.42Å; W286-F423 AromaticContact NE1-CE1 3.95Å; L287-F423 HydrophobicContact CD1-CE2 3.95Å; L287-F423 HydrophobicContact CD1-CZ 4.42Å; H290-F423 HydrophobicContact CB-CZ 4.28Å; H290-F423 AromaticContact CD2-CE1 3.52Å; H290-F423 AromaticContact CD2-CZ 3.59Å; H290-F423 AromaticContact CE1-CE1 3.94Å; H290-F423 AromaticContact CG-CE1 3.97Å; H290-F423 AromaticContact CG-CZ 3.85Å; H290-F423 AromaticContact NE2-CE1 3.5Å; F423-G425 VanDerWaalsContact C-N 3.35Å
424	G	95.7	Very high	98	Very high	85 Å²	85	22.5 Å²	22.5	88%	0.876	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	85.7	1.1	179.7	0	0	0	0	0	115	L422	L422-G424 VanDerWaalsContact C-N 3.26Å; L422-G424 PolarHBondContact O-N 3.45Å; L422-G424 VanDerWaalsContact O-N 3.15Å
425	G	97.4	Very high	97.9	Very high	22 Å²	22	21.4 Å²	21.4	23%	0.227	13%	0.128	C	C	.	.			trans	123.1	135.5	177.5	0	0	0	0	0	112.6	S420 L422 F423	S420-G425 WeakPolarHBondContact O-CA 3.42Å; L422-G425 PolarHBondContact O-N 3.06Å; F423-G425 VanDerWaalsContact C-N 3.35Å
426	L	98.5	Very high	97.7	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	13%	0.131	C	C	.	.			trans	-112.9	110.5	173.4	-48.1	-177.4	0	0	0	109.3	A277 M281 V419 S420 I428 C429	A277-L426 HydrophobicContact CB-CD2 3.57Å; M281-L426 HydrophobicContact CE-CD1 3.81Å; M281-L426 HydrophobicContact SD-CD1 3.76Å; M281-L426 HydrophobicContact SD-CD2 3.66Å; M281-L426 HydrophobicContact SD-CG 4.4Å; V419-L426 HydrophobicContact CG1-CD1 4.03Å; V419-L426 VanDerWaalsContact O-CD1 3.29Å; V419-L426 WeakPolarHBondContact O-CD1 3.24Å; S420-L426 PolarHBondContact O-N 3.27Å; L426-I428 VanDerWaalsContact C-N 3.26Å; L426-I428 PolarHBondContact O-N 3.36Å; L426-C429 HydrophobicContact CB-CB 3.96Å; L426-C429 HydrophobicContact CD1-CB 3.75Å
427	D	98	Very high	97.4	Very high	39 Å²	39	30.6 Å²	30.6	21%	0.209	16%	0.164	C	C	.	.	S	Bend	trans	-64.4	-34.5	175.4	-58.5	-70.5	0	0	0	111.3	M272 N273 G379 L468	M272-D427 HydrophobicContact CE-CB 4.26Å; M272-D427 HydrophobicContact CG-CB 4.09Å; M272-D427 HydrophobicContact SD-CB 4.27Å; N273-D427 PolarHBondContact OD1-N 2.92Å; G379-D427 PolarHBondContact N-O 3.23Å; D427-L468 HydrophobicContact CB-CD2 3.99Å; D427-L468 WeakPolarHBondContact O-CD2 3.45Å
428	I	98.7	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.8	-179.2	-56.4	170.7	0	0	0	108.2	L245 M272 N273 L426 G448 S449 M451 I465 L468	L245-I428 HydrophobicContact CD1-CD1 4.27Å; M272-I428 HydrophobicContact CG-CD1 3.83Å; M272-I428 HydrophobicContact CG-CG1 4.36Å; M272-I428 HydrophobicContact SD-CD1 3.85Å; M272-I428 HydrophobicContact SD-CG1 4.34Å; N273-I428 PolarHBondContact ND2-O 3.34Å; N273-I428 PolarHBondContact OD1-N 2.87Å; N273-I428 PolarHBondContact OD1-O 3.1Å; L426-I428 VanDerWaalsContact C-N 3.26Å; L426-I428 PolarHBondContact O-N 3.36Å; I428-G448 CarbonylContact O-C 3.58Å; I428-S449 PolarHBondContact O-N 2.82Å; I428-M451 HydrophobicContact CG2-CE 3.36Å; I428-M451 HydrophobicContact CG2-CG 4.31Å; I428-I465 HydrophobicContact CD1-CB 4.45Å; I428-I465 HydrophobicContact CD1-CD1 4.49Å; I428-I465 HydrophobicContact CD1-CG1 3.95Å; I428-I465 HydrophobicContact CD1-CG2 3.91Å; I428-L468 HydrophobicContact CG1-CD2 3.99Å
429	C	98.6	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	162.1	176	54.2	0	0	0	0	114.1	Q376 K377 I416 V419 L426 N447 M451	Q376-C429 WeakPolarHBondContact CA-O 3.37Å; K377-C429 PolarHBondContact N-O 3.19Å; K377-C429 PolarHBondContact O-N 2.91Å; I416-C429 HydrophobicContact CD1-CB 4.38Å; V419-C429 HydrophobicContact CG1-CB 4.18Å; L426-C429 HydrophobicContact CB-CB 3.96Å; L426-C429 HydrophobicContact CD1-CB 3.75Å; C429-N447 CarbonylContact C-O 3.59Å; C429-N447 VanDerWaalsContact CA-O 3.24Å; C429-N447 WeakPolarHBondContact CA-O 3.4Å; C429-N447 VanDerWaalsContact CB-O 3.32Å; C429-N447 WeakPolarHBondContact CB-O 3.28Å; C429-M451 WeakPolarHBondContact O-CE 3.27Å
430	S	98.3	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.2	164.1	80	0	0	0	0	112.8	H374 V375 D432 A446 N447	H374-S430 WeakPolarHBondContact CE1-CB 3.24Å; H374-S430 PolarHBondContact CE1-OG 3.26Å; H374-S430 VanDerWaalsContact CE1-OG 3.25Å; V375-S430 CarbonylContact O-C 3.53Å; V375-S430 VanDerWaalsContact O-CA 3.23Å; V375-S430 WeakPolarHBondContact O-CA 3.04Å; S430-D432 PolarHBondContact OG-OD2 3.19Å; S430-A446 WeakPolarHBondContact O-CA 3.37Å; S430-N447 PolarHBondContact N-O 3.16Å; S430-N447 PolarHBondContact O-N 2.88Å; S430-N447 WeakPolarHBondContact OG-CB 3.29Å; S430-N447 PolarHBondContact OG-ND2 3.27Å
431	I	98.1	Very high	96.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.6	162.4	-163.5	178.7	0	0	0	109.2	F303 V375 W415 I416 V419 I443 A446	F303-I431 HydrophobicContact CE2-CD1 3.81Å; F303-I431 HydrophobicContact CZ-CD1 3.76Å; V375-I431 HydrophobicContact CB-CG2 3.95Å; V375-I431 PolarHBondContact N-O 3.22Å; V375-I431 PolarHBondContact O-N 2.9Å; W415-I431 HydrophobicContact CB-CD1 3.91Å; W415-I431 HydrophobicContact CB-CG2 4.03Å; I416-I431 HydrophobicContact CB-CG2 4.22Å; I416-I431 HydrophobicContact CD1-CB 4.28Å; I416-I431 HydrophobicContact CD1-CG2 4.15Å; V419-I431 HydrophobicContact CG2-CB 4.19Å; V419-I431 HydrophobicContact CG2-CD1 3.73Å; V419-I431 HydrophobicContact CG2-CG1 4.12Å; I431-I443 HydrophobicContact CD1-CD1 3.91Å; I431-I443 HydrophobicContact CD1-CG1 4.2Å; I431-I443 HydrophobicContact CD1-CG2 3.63Å; I431-I443 HydrophobicContact CG1-CG2 3.76Å; I431-A446 HydrophobicContact CG1-CB 4.48Å
432	D	97.1	Very high	96.6	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131	-168.4	-68.9	-96.1	0	0	0	110	L373 H374 S430 Y444 E445 N447	L373-D432 WeakPolarHBondContact O-CA 3.37Å; H374-D432 IonicContact CE1-OD1 2.69Å; H374-D432 IonicContact CE1-OD2 3.3Å; H374-D432 IonicContact CG-OD1 2.74Å; H374-D432 IonicContact ND1-OD1 3.51Å; H374-D432 PolarHBondContact ND1-OD1 3.31Å; H374-D432 IonicContact ND1-OD2 3.76Å; H374-D432 PolarHBondContact ND1-OD2 3.29Å; S430-D432 PolarHBondContact OG-OD2 3.19Å; D432-Y444 HydrophobicContact CB-CE1 4.03Å; D432-Y444 HydrophobicContact CB-CE2 4.32Å; D432-Y444 WeakPolarHBondContact O-CD1 3.14Å; D432-Y444 PolarHBondContact O-N 3.34Å; D432-E445 HydrophobicContact CB-CB 4.28Å; D432-E445 PolarHBondContact N-O 3.42Å; D432-E445 PolarHBondContact O-N 3.12Å; D432-N447 PolarHBondContact OD2-ND2 3.34Å
433	A	97.4	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.2	-173.4	0	0	0	0	0	112.2	D372 L373 W415 F442 I443	D372-A433 CarbonylContact C-O 3.5Å; D372-A433 WeakPolarHBondContact CA-O 3.28Å; L373-A433 PolarHBondContact N-O 3.5Å; L373-A433 PolarHBondContact O-N 3.23Å; W415-A433 HydrophobicContact CZ3-CB 4.37Å; A433-F442 CarbonylContact C-O 3.57Å; A433-F442 VanDerWaalsContact CA-O 3.24Å; A433-F442 WeakPolarHBondContact CA-O 3.32Å; A433-I443 HydrophobicContact CB-CB 4.48Å; A433-I443 HydrophobicContact CB-CG1 4.12Å
434	L	96.3	Very high	96.5	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.7	169.6	-58	178.8	0	0	0	109.6	I367 A369 D372 Y441 F442 Y444	I367-L434 HydrophobicContact CB-CD1 3.86Å; I367-L434 HydrophobicContact CG1-CD1 4.15Å; I367-L434 HydrophobicContact CG2-CB 4.4Å; A369-L434 HydrophobicContact CB-CB 4.13Å; A369-L434 HydrophobicContact CB-CD2 4.45Å; D372-L434 HydrophobicContact CB-CD2 4.28Å; D372-L434 WeakPolarHBondContact OD1-CD2 3.45Å; L434-Y441 CarbonylContact O-C 3.58Å; L434-Y441 VanDerWaalsContact O-CA 3.32Å; L434-Y441 WeakPolarHBondContact O-CA 3.49Å; L434-F442 PolarHBondContact N-O 3.32Å; L434-F442 PolarHBondContact O-N 3.06Å; L434-Y444 HydrophobicContact CD2-CD1 4.09Å; L434-Y444 HydrophobicContact CD2-CE1 3.79Å; L434-Y444 HydrophobicContact CG-CD1 3.76Å; L434-Y444 HydrophobicContact CG-CE1 4Å
435	Q	95.6	Very high	96.5	Very high	31 Å²	31	35.5 Å²	35.5	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.5	165.9	-165.9	-179.2	30	0	0	110	A369 N370 C371 G439 E440 Y441	A369-Q435 CarbonylContact C-O 3.57Å; A369-Q435 VanDerWaalsContact CA-O 3.24Å; A369-Q435 WeakPolarHBondContact CA-O 3.49Å; N370-Q435 PolarHBondContact N-O 2.72Å; C371-Q435 PolarHBondContact O-N 2.77Å; C371-Q435 PolarHBondContact SG-OE1 2.65Å; Q435-G439 PolarHBondContact NE2-O 3.19Å; Q435-E440 CarbonylContact C-O 3.52Å; Q435-E440 VanDerWaalsContact CA-O 3.31Å; Q435-E440 WeakPolarHBondContact CA-O 3.46Å; Q435-Y441 HydrophobicContact CB-CD1 4.07Å; Q435-Y441 HydrophobicContact CB-CE1 3.99Å; Q435-Y441 HydrophobicContact CG-CD1 4.19Å; Q435-Y441 HydrophobicContact CG-CE1 3.97Å; Q435-Y441 PolarHBondContact NE2-OH 2.83Å
436	S	94.5	Very high	96.5	Very high	11 Å²	11	34.5 Å²	34.5	8%	0.077	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	167.9	176.8	63	0	0	0	0	112.4	S438 G439 E440	S436-S438 PolarHBondContact O-N 3.41Å; S436-S438 PolarHBondContact OG-N 2.88Å; S436-S438 PolarHBondContact OG-OG 3.07Å; S436-G439 PolarHBondContact O-N 2.54Å; S436-G439 PolarHBondContact OG-N 3.37Å; S436-E440 PolarHBondContact N-O 3.36Å; S436-E440 WeakPolarHBondContact OG-CB 3.36Å; S436-E440 PolarHBondContact OG-N 3.49Å; S436-E440 VanDerWaalsContact OG-N 3.15Å; S436-E440 PolarHBondContact OG-O 2.84Å
437	R	91.7	Very high	96.4	Very high	184 Å²	184	35 Å²	35	69%	0.694	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	170	-59.3	-168.7	-159.4	-110.2	-8.3	114.1	D368 G439	D368-R437 PolarHBondContact O-N 2.96Å; D368-R437 IonicContact OD1-CZ 2.64Å; D368-R437 IonicContact OD1-NE 2.74Å; D368-R437 PolarHBondContact OD1-NE 3.45Å; D368-R437 IonicContact OD1-NH2 3.43Å; D368-R437 PolarHBondContact OD1-NH2 2.72Å; D368-R437 IonicContact OD2-CZ 2.7Å; D368-R437 IonicContact OD2-NE 3.07Å; D368-R437 PolarHBondContact OD2-NE 3.15Å; D368-R437 IonicContact OD2-NH2 3.58Å; D368-R437 PolarHBondContact OD2-NH2 3.43Å; R437-G439 PolarHBondContact O-N 2.68Å
438	S	93.1	Very high	96.3	Very high	83 Å²	83	33.3 Å²	33.3	58%	0.58	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.9	172.2	47.3	0	0	0	0	113.6	S436 E440	S436-S438 PolarHBondContact O-N 3.41Å; S436-S438 PolarHBondContact OG-N 2.88Å; S436-S438 PolarHBondContact OG-OG 3.07Å; S438-E440 VanDerWaalsContact C-N 3.32Å; S438-E440 WeakPolarHBondContact CB-OE2 3.49Å; S438-E440 PolarHBondContact OG-OE2 3.35Å
439	G	93.4	Very high	96.3	Very high	29 Å²	29	33.4 Å²	33.4	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	86.7	-2.5	-177.7	0	0	0	0	0	114.5	Q435 S436 R437	Q435-G439 PolarHBondContact NE2-O 3.19Å; S436-G439 PolarHBondContact O-N 2.54Å; S436-G439 PolarHBondContact OG-N 3.37Å; R437-G439 PolarHBondContact O-N 2.68Å
440	E	95.7	Very high	96.1	Very high	114 Å²	114	34.8 Å²	34.8	53%	0.533	17%	0.173	S	C	.	.			trans	-68.5	148.9	174.2	-62.5	166.4	90.4	0	0	111	Q435 S436 S438 F442	Q435-E440 CarbonylContact C-O 3.52Å; Q435-E440 VanDerWaalsContact CA-O 3.31Å; Q435-E440 WeakPolarHBondContact CA-O 3.46Å; S436-E440 PolarHBondContact N-O 3.36Å; S436-E440 WeakPolarHBondContact OG-CB 3.36Å; S436-E440 PolarHBondContact OG-N 3.49Å; S436-E440 VanDerWaalsContact OG-N 3.15Å; S436-E440 PolarHBondContact OG-O 2.84Å; S438-E440 VanDerWaalsContact C-N 3.32Å; S438-E440 WeakPolarHBondContact CB-OE2 3.49Å; S438-E440 PolarHBondContact OG-OE2 3.35Å; E440-F442 HydrophobicContact CB-CE2 3.8Å; E440-F442 HydrophobicContact CB-CZ 4.17Å
441	Y	97.1	Very high	95.9	Very high	50 Å²	50	34.9 Å²	34.9	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.4	-178.2	-69.2	-89.4	0	0	0	111.3	P304 L373 F412 W415 L434 Q435	P304-Y441 VanDerWaalsContact CB-O 3.22Å; P304-Y441 WeakPolarHBondContact CB-O 3.4Å; P304-Y441 VanDerWaalsContact CG-O 3.27Å; P304-Y441 WeakPolarHBondContact CG-O 3.47Å; L373-Y441 HydrophobicContact CB-CE1 4.39Å; L373-Y441 HydrophobicContact CD2-CD1 4.19Å; L373-Y441 HydrophobicContact CD2-CE1 3.94Å; F412-Y441 HydrophobicContact CE1-CE1 4.13Å; F412-Y441 HydrophobicContact CZ-CE1 4.21Å; W415-Y441 HydrophobicContact CH2-CD1 4.2Å; W415-Y441 HydrophobicContact CH2-CD2 4.39Å; W415-Y441 AromaticContact CH2-CG 3.85Å; W415-Y441 HydrophobicContact CH2-CG 3.85Å; L434-Y441 CarbonylContact O-C 3.58Å; L434-Y441 VanDerWaalsContact O-CA 3.32Å; L434-Y441 WeakPolarHBondContact O-CA 3.49Å; Q435-Y441 HydrophobicContact CB-CD1 4.07Å; Q435-Y441 HydrophobicContact CB-CE1 3.99Å; Q435-Y441 HydrophobicContact CG-CD1 4.19Å; Q435-Y441 HydrophobicContact CG-CE1 3.97Å; Q435-Y441 PolarHBondContact NE2-OH 2.83Å
442	F	97.8	Very high	95.7	Very high	52 Å²	52	36.8 Å²	36.8	23%	0.228	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	98	178.5	-60.7	-91	0	0	0	109.5	P304 I367 A433 L434 E440 Y444	P304-F442 CarbonylContact O-C 3.17Å; P304-F442 WeakPolarHBondContact O-CA 3.44Å; I367-F442 HydrophobicContact CD1-CD1 4.05Å; I367-F442 HydrophobicContact CD1-CD2 4.22Å; I367-F442 HydrophobicContact CD1-CE1 4.23Å; I367-F442 HydrophobicContact CD1-CE2 4.41Å; I367-F442 HydrophobicContact CD1-CG 4.05Å; I367-F442 HydrophobicContact CD1-CZ 4.41Å; I367-F442 HydrophobicContact CG1-CB 4.31Å; I367-F442 HydrophobicContact CG1-CD2 4.25Å; I367-F442 HydrophobicContact CG1-CG 4.11Å; I367-F442 HydrophobicContact CG2-CD2 3.84Å; I367-F442 HydrophobicContact CG2-CE2 4.16Å; A433-F442 CarbonylContact C-O 3.57Å; A433-F442 VanDerWaalsContact CA-O 3.24Å; A433-F442 WeakPolarHBondContact CA-O 3.32Å; L434-F442 PolarHBondContact N-O 3.32Å; L434-F442 PolarHBondContact O-N 3.06Å; E440-F442 HydrophobicContact CB-CE2 3.8Å; E440-F442 HydrophobicContact CB-CZ 4.17Å; F442-Y444 PolarHBondContact O-N 2.94Å
443	I	98.3	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.5	172.5	-61.1	163.5	0	0	0	107.9	F303 P304 L305 I306 W415 I431 A433	F303-I443 HydrophobicContact CD1-CD1 4.04Å; F303-I443 HydrophobicContact CD2-CD1 3.95Å; F303-I443 HydrophobicContact CE1-CD1 4.01Å; F303-I443 HydrophobicContact CE2-CD1 3.92Å; F303-I443 HydrophobicContact CG-CD1 4.01Å; F303-I443 HydrophobicContact CZ-CD1 3.95Å; P304-I443 HydrophobicContact CG-CD1 4.42Å; P304-I443 PolarHBondContact O-N 2.9Å; L305-I443 HydrophobicContact CD1-CB 4.18Å; L305-I443 HydrophobicContact CD1-CG2 3.78Å; I306-I443 WeakPolarHBondContact CB-O 3.47Å; I306-I443 WeakPolarHBondContact CG2-O 3.37Å; I306-I443 PolarHBondContact N-O 2.94Å; W415-I443 HydrophobicContact CD2-CD1 3.84Å; W415-I443 HydrophobicContact CD2-CG1 4.33Å; W415-I443 HydrophobicContact CE3-CD1 4.29Å; W415-I443 HydrophobicContact CE3-CG1 4.29Å; W415-I443 HydrophobicContact CG-CD1 4.03Å; W415-I443 HydrophobicContact CZ2-CD1 4.38Å; W415-I443 HydrophobicContact CZ3-CG1 4.42Å; I431-I443 HydrophobicContact CD1-CD1 3.91Å; I431-I443 HydrophobicContact CD1-CG1 4.2Å; I431-I443 HydrophobicContact CD1-CG2 3.63Å; I431-I443 HydrophobicContact CG1-CG2 3.76Å; A433-I443 HydrophobicContact CB-CB 4.48Å; A433-I443 HydrophobicContact CB-CG1 4.12Å
444	Y	95.7	Very high	95.1	Very high	39 Å²	39	38.3 Å²	38.3	15%	0.153	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-19.8	-177.7	72	-93.8	0	0	0	114.2	D432 L434 F442	D432-Y444 HydrophobicContact CB-CE1 4.03Å; D432-Y444 HydrophobicContact CB-CE2 4.32Å; D432-Y444 WeakPolarHBondContact O-CD1 3.14Å; D432-Y444 PolarHBondContact O-N 3.34Å; L434-Y444 HydrophobicContact CD2-CD1 4.09Å; L434-Y444 HydrophobicContact CD2-CE1 3.79Å; L434-Y444 HydrophobicContact CG-CD1 3.76Å; L434-Y444 HydrophobicContact CG-CE1 4Å; F442-Y444 PolarHBondContact O-N 2.94Å
445	E	94.9	Very high	94.5	Very high	42 Å²	42	38 Å²	38	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159.9	-177	-172.1	152.1	-127.2	0	0	111.8	R284 D432	R284-E445 IonicContact CZ-OE1 2.6Å; R284-E445 VanDerWaalsContact NH1-CD 3.29Å; R284-E445 IonicContact NH1-OE1 3.83Å; R284-E445 PolarHBondContact NH1-OE1 2.84Å; D432-E445 HydrophobicContact CB-CB 4.28Å; D432-E445 PolarHBondContact N-O 3.42Å; D432-E445 PolarHBondContact O-N 3.12Å
446	A	97.1	Very high	94.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.6	168.2	0	0	0	0	0	108.4	L287 L291 V419 S430 I431	L287-A446 HydrophobicContact CD2-CB 4.41Å; L287-A446 VanDerWaalsContact CD2-O 3.31Å; L287-A446 WeakPolarHBondContact CD2-O 3.22Å; L291-A446 HydrophobicContact CD1-CB 4.2Å; L291-A446 HydrophobicContact CD2-CB 4.2Å; V419-A446 HydrophobicContact CG1-CB 4.1Å; V419-A446 HydrophobicContact CG2-CB 4.24Å; S430-A446 WeakPolarHBondContact O-CA 3.37Å; I431-A446 HydrophobicContact CG1-CB 4.48Å
447	N	96.2	Very high	94.1	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.8	-178.5	-60.3	-81.3	0	0	0	110.7	M281 R284 C429 S430 D432 M451	M281-N447 VanDerWaalsContact CE-C 3.47Å; R284-N447 PolarHBondContact NH1-OD1 3.46Å; R284-N447 PolarHBondContact NH2-OD1 3.27Å; C429-N447 CarbonylContact C-O 3.59Å; C429-N447 VanDerWaalsContact CA-O 3.24Å; C429-N447 WeakPolarHBondContact CA-O 3.4Å; C429-N447 VanDerWaalsContact CB-O 3.32Å; C429-N447 WeakPolarHBondContact CB-O 3.28Å; S430-N447 PolarHBondContact N-O 3.16Å; S430-N447 PolarHBondContact O-N 2.88Å; S430-N447 WeakPolarHBondContact OG-CB 3.29Å; S430-N447 PolarHBondContact OG-ND2 3.27Å; D432-N447 PolarHBondContact OD2-ND2 3.34Å; N447-M451 HydrophobicContact CB-CB 3.9Å
448	G	97.4	Very high	94.2	Very high	2 Å²	2	36 Å²	36	2%	0.021	20%	0.198	C	C	.	.			trans	-96.9	-139.2	-178.8	0	0	0	0	0	111.5	I428 D450 M451	I428-G448 CarbonylContact O-C 3.58Å; G448-D450 WeakPolarHBondContact CA-OD1 3.41Å; G448-D450 PolarHBondContact N-OD1 3.47Å; G448-D450 PolarHBondContact O-N 2.64Å; G448-D450 VanDerWaalsContact O-N 3.15Å; G448-M451 WeakPolarHBondContact O-CG 3.43Å; G448-M451 PolarHBondContact O-N 3.14Å
449	S	97.7	Very high	94.3	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.3	172.9	58.3	0	0	0	0	113.5	V246 R247 N273 I428	V246-S449 CarbonylContact O-C 3.59Å; V246-S449 WeakPolarHBondContact O-CB 3.48Å; V246-S449 PolarHBondContact O-OG 2.7Å; R247-S449 WeakPolarHBondContact CD-O 3.3Å; R247-S449 PolarHBondContact NH1-O 3.01Å; N273-S449 PolarHBondContact N-OG 2.74Å; N273-S449 VanDerWaalsContact N-OG 3.11Å; N273-S449 PolarHBondContact ND2-N 3.17Å; I428-S449 PolarHBondContact O-N 2.82Å
450	D	94.8	Very high	94.5	Very high	29 Å²	29	37 Å²	37	16%	0.155	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.6	172.5	68.7	-50.8	0	0	0	114.7	R247 H249 R284 G448	R247-D450 WeakPolarHBondContact O-CA 3.25Å; H249-D450 HydrophobicContact CB-CB 4.41Å; H249-D450 IonicContact CD2-OD2 3.52Å; H249-D450 PolarHBondContact CD2-OD2 2.79Å; H249-D450 VanDerWaalsContact CD2-OD2 3.3Å; R284-D450 IonicContact NH2-OD2 2.87Å; R284-D450 PolarHBondContact NH2-OD2 3.21Å; R284-D450 VanDerWaalsContact NH2-OD2 3.09Å; G448-D450 WeakPolarHBondContact CA-OD1 3.41Å; G448-D450 PolarHBondContact N-OD1 3.47Å; G448-D450 PolarHBondContact O-N 2.64Å; G448-D450 VanDerWaalsContact O-N 3.15Å
451	M	94.9	Very high	94.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-57.1	143.2	-177.1	63.6	156.1	162.3	0	0	113.3	R247 Q376 I378 I428 C429 N447 G448	R247-M451 VanDerWaalsContact CZ-O 3.31Å; R247-M451 PolarHBondContact NH1-O 3.42Å; R247-M451 PolarHBondContact NH2-O 3.4Å; Q376-M451 HydrophobicContact CB-CE 3.96Å; Q376-M451 HydrophobicContact CB-SD 3.62Å; I378-M451 HydrophobicContact CD1-CE 4.15Å; I378-M451 HydrophobicContact CG1-CE 3.58Å; I428-M451 HydrophobicContact CG2-CE 3.36Å; I428-M451 HydrophobicContact CG2-CG 4.31Å; C429-M451 WeakPolarHBondContact O-CE 3.27Å; N447-M451 HydrophobicContact CB-CB 3.9Å; G448-M451 WeakPolarHBondContact O-CG 3.43Å; G448-M451 PolarHBondContact O-N 3.14Å
452	T	92.4	Very high	94.6	Very high	41 Å²	41	29.3 Å²	29.3	25%	0.252	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-77.5	128.5	175.9	-57.5	0	0	0	0	109.9	Y454	T452-Y454 HydrophobicContact CG2-CD1 3.98Å; T452-Y454 HydrophobicContact CG2-CE1 3.46Å; T452-Y454 VanDerWaalsContact CG2-CE1 3.46Å
453	L	94.2	Very high	94.6	Very high	5 Å²	5	30 Å²	30	3%	0.026	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-82.3	143.8	178.4	-55.3	177.6	0	0	0	110.1	I378 Q458 D461 R462 I465	I378-L453 HydrophobicContact CD1-CD2 4.29Å; L453-Q458 HydrophobicContact CB-CG 3.88Å; L453-D461 HydrophobicContact CD1-CB 3.99Å; L453-D461 HydrophobicContact CD2-CB 4.05Å; L453-D461 HydrophobicContact CG-CB 4.43Å; L453-R462 HydrophobicContact CD1-CG 3.64Å; L453-I465 HydrophobicContact CD1-CD1 4.05Å; L453-I465 HydrophobicContact CD2-CD1 4.23Å
454	Y	89	Confident	94.5	Very high	39 Å²	39	31.9 Å²	31.9	15%	0.153	18%	0.175	C	C	.	.			trans	-127.8	149.2	-166.5	-70.1	-33.2	0	0	0	114.9	H374 T452 S457	H374-Y454 HydrophobicContact CB-CD2 4Å; H374-Y454 HydrophobicContact CB-CE2 3.77Å; H374-Y454 AromaticContact CD2-CD2 3.55Å; H374-Y454 AromaticContact CD2-CE2 3.73Å; H374-Y454 AromaticContact CE1-CE2 3.84Å; H374-Y454 AromaticContact CG-CD2 3.69Å; H374-Y454 AromaticContact CG-CE2 3.45Å; H374-Y454 VanDerWaalsContact CG-CE2 3.45Å; H374-Y454 AromaticContact ND1-CE2 3.56Å; H374-Y454 AromaticContact NE2-CD2 3.97Å; H374-Y454 AromaticContact NE2-CE2 3.98Å; T452-Y454 HydrophobicContact CG2-CD1 3.98Å; T452-Y454 HydrophobicContact CG2-CE1 3.46Å; T452-Y454 VanDerWaalsContact CG2-CE1 3.46Å; Y454-S457 PolarHBondContact O-OG 2.76Å
455	G	84.1	Confident	94.7	Very high	21 Å²	21	30 Å²	30	22%	0.216	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	67	-161.3	172	0	0	0	0	0	114.8	L403 S457 Q458	L403-G455 VanDerWaalsContact CD2-CA 3.44Å; L403-G455 VanDerWaalsContact CD2-N 3.25Å; G455-S457 PolarHBondContact O-N 2.9Å; G455-Q458 WeakPolarHBondContact O-CG 3.45Å; G455-Q458 PolarHBondContact O-NE2 3.1Å
456	D	89	Confident	94.8	Very high	137 Å²	137	28 Å²	28	73%	0.733	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-70.6	-10.8	-178.3	-60.5	-48.6	0	0	0	113.4	F13	F13-D456 VanDerWaalsContact CE2-OD1 3.24Å; F13-D456 WeakPolarHBondContact CE2-OD1 3.38Å
457	S	92	Very high	94.8	Very high	20 Å²	20	31.7 Å²	31.7	14%	0.14	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-84.9	-5.5	179.7	62.2	0	0	0	0	114.8	F385 Y454 G455 E459 S460 D461	F385-S457 WeakPolarHBondContact CZ-OG 3.45Å; Y454-S457 PolarHBondContact O-OG 2.76Å; G455-S457 PolarHBondContact O-N 2.9Å; S457-E459 PolarHBondContact O-N 2.71Å; S457-S460 CarbonylContact O-C 3.48Å; S457-S460 WeakPolarHBondContact O-CA 3.45Å; S457-S460 VanDerWaalsContact O-CB 3.28Å; S457-S460 WeakPolarHBondContact O-CB 3.42Å; S457-S460 PolarHBondContact O-N 2.93Å; S457-D461 VanDerWaalsContact O-CG 3.3Å; S457-D461 PolarHBondContact O-N 2.91Å; S457-D461 VanDerWaalsContact O-OD1 3.07Å; S457-D461 PolarHBondContact OG-OD1 2.92Å
458	Q	94.6	Very high	94.9	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.121	18%	0.178	C	C	.	.	H	α-helix	trans	-47.2	-39	-177.6	-76.1	171.8	82.8	0	0	114	L453 G455 D461 R462	L453-Q458 HydrophobicContact CB-CG 3.88Å; G455-Q458 WeakPolarHBondContact O-CG 3.45Å; G455-Q458 PolarHBondContact O-NE2 3.1Å; Q458-D461 PolarHBondContact O-N 3.43Å; Q458-R462 WeakPolarHBondContact O-CB 3.47Å; Q458-R462 WeakPolarHBondContact O-CG 3.32Å; Q458-R462 PolarHBondContact O-N 3.43Å
459	E	95	Very high	94.9	Very high	72 Å²	72	32 Å²	32	34%	0.336	18%	0.177	S	C	.	.	H	α-helix	trans	-71.8	-34.2	178.7	-161.6	69.4	-179.8	0	0	112.9	K189 Y190 S457 R462 T463	K189-E459 IonicContact NZ-OE1 3.64Å; K189-E459 PolarHBondContact NZ-OE1 3.33Å; K189-E459 IonicContact NZ-OE2 3.53Å; K189-E459 PolarHBondContact NZ-OE2 3.03Å; Y190-E459 WeakPolarHBondContact CE1-OE1 3.44Å; Y190-E459 PolarHBondContact OH-OE1 2.81Å; Y190-E459 PolarHBondContact OH-OE2 2.89Å; S457-E459 PolarHBondContact O-N 2.71Å; E459-R462 IonicContact OE2-NH1 3.34Å; E459-R462 PolarHBondContact OE2-NH1 3.15Å; E459-T463 WeakPolarHBondContact O-CB 3.35Å; E459-T463 PolarHBondContact O-N 3.37Å; E459-T463 VanDerWaalsContact O-N 3.15Å; E459-T463 PolarHBondContact O-OG1 3.17Å
460	S	96.2	Very high	94.8	Very high	61 Å²	61	32.3 Å²	32.3	43%	0.427	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-46.9	169.9	-164.6	0	0	0	0	110.3	S457 R462 T463 E464	S457-S460 CarbonylContact O-C 3.48Å; S457-S460 WeakPolarHBondContact O-CA 3.45Å; S457-S460 VanDerWaalsContact O-CB 3.28Å; S457-S460 WeakPolarHBondContact O-CB 3.42Å; S457-S460 PolarHBondContact O-N 2.93Å; S460-R462 PolarHBondContact O-N 3.08Å; S460-T463 CarbonylContact O-C 3.53Å; S460-T463 WeakPolarHBondContact O-CA 3.48Å; S460-T463 WeakPolarHBondContact O-CB 3.39Å; S460-T463 PolarHBondContact O-N 3.27Å; S460-E464 WeakPolarHBondContact O-CB 3.39Å; S460-E464 VanDerWaalsContact O-CG 3.24Å; S460-E464 WeakPolarHBondContact O-CG 3.21Å; S460-E464 PolarHBondContact O-N 3.48Å; S460-E464 PolarHBondContact OG-OE1 2.95Å
461	D	97.8	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-44.5	-179.1	-62.2	5	0	0	0	111.3	Q376 I378 K383 L453 S457 Q458 E464 I465	Q376-D461 PolarHBondContact NE2-OD2 3.2Å; I378-D461 HydrophobicContact CD1-CB 3.78Å; K383-D461 WeakPolarHBondContact CD-OD1 3.37Å; K383-D461 WeakPolarHBondContact CE-OD1 3.36Å; K383-D461 IonicContact NZ-OD1 2.59Å; K383-D461 PolarHBondContact NZ-OD1 2.94Å; L453-D461 HydrophobicContact CD1-CB 3.99Å; L453-D461 HydrophobicContact CD2-CB 4.05Å; L453-D461 HydrophobicContact CG-CB 4.43Å; S457-D461 VanDerWaalsContact O-CG 3.3Å; S457-D461 PolarHBondContact O-N 2.91Å; S457-D461 VanDerWaalsContact O-OD1 3.07Å; S457-D461 PolarHBondContact OG-OD1 2.92Å; Q458-D461 PolarHBondContact O-N 3.43Å; D461-E464 PolarHBondContact O-N 3.36Å; D461-I465 VanDerWaalsContact O-CG1 3.27Å; D461-I465 WeakPolarHBondContact O-CG1 3.31Å; D461-I465 PolarHBondContact O-N 2.83Å
462	R	97.7	Very high	94.9	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-36.3	174.4	-65.7	167.5	-173.2	137.4	-7.3	112.4	S120 A121 T185 W187 Y190 L453 Q458 E459 S460 I465 A466	S120-R462 PolarHBondContact O-NH2 3.37Å; S120-R462 VanDerWaalsContact O-NH2 3.16Å; A121-R462 PolarHBondContact O-NH2 3.12Å; T185-R462 PolarHBondContact OG1-NE 3.31Å; T185-R462 PolarHBondContact OG1-NH2 2.95Å; W187-R462 HydrophobicContact CH2-CB 4.06Å; W187-R462 HydrophobicContact CH2-CG 4.02Å; W187-R462 HydrophobicContact CZ2-CG 4.37Å; W187-R462 HydrophobicContact CZ3-CB 4.16Å; Y190-R462 HydrophobicContact CD1-CB 4.32Å; Y190-R462 HydrophobicContact CD2-CB 4.42Å; Y190-R462 HydrophobicContact CE1-CB 3.78Å; Y190-R462 HydrophobicContact CE2-CB 3.9Å; Y190-R462 HydrophobicContact CE2-CG 4.48Å; Y190-R462 WeakPolarHBondContact OH-CD 3.45Å; L453-R462 HydrophobicContact CD1-CG 3.64Å; Q458-R462 WeakPolarHBondContact O-CB 3.47Å; Q458-R462 WeakPolarHBondContact O-CG 3.32Å; Q458-R462 PolarHBondContact O-N 3.43Å; E459-R462 IonicContact OE2-NH1 3.34Å; E459-R462 PolarHBondContact OE2-NH1 3.15Å; S460-R462 PolarHBondContact O-N 3.08Å; R462-I465 PolarHBondContact O-N 2.8Å; R462-A466 WeakPolarHBondContact O-CB 3.5Å; R462-A466 PolarHBondContact O-N 3.03Å
463	T	97.2	Very high	95	Very high	66 Å²	66	38.8 Å²	38.8	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-67.1	-39.8	175.1	-58.2	0	0	0	0	111.7	E459 S460 A466 E467	E459-T463 WeakPolarHBondContact O-CB 3.35Å; E459-T463 PolarHBondContact O-N 3.37Å; E459-T463 VanDerWaalsContact O-N 3.15Å; E459-T463 PolarHBondContact O-OG1 3.17Å; S460-T463 CarbonylContact O-C 3.53Å; S460-T463 WeakPolarHBondContact O-CA 3.48Å; S460-T463 WeakPolarHBondContact O-CB 3.39Å; S460-T463 PolarHBondContact O-N 3.27Å; T463-A466 PolarHBondContact O-N 2.9Å; T463-E467 WeakPolarHBondContact O-CB 3.38Å; T463-E467 PolarHBondContact O-N 3.48Å
464	E	97.6	Very high	95	Very high	39 Å²	39	41.6 Å²	41.6	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-41.8	174.8	-69.5	159.1	-140.8	0	0	111.6	I378 N381 K383 S460 D461 E467 L468	I378-E464 HydrophobicContact CG2-CB 3.9Å; N381-E464 WeakPolarHBondContact CB-OE2 3.36Å; N381-E464 VanDerWaalsContact CG-OE2 3.27Å; N381-E464 PolarHBondContact ND2-OE1 2.78Å; N381-E464 PolarHBondContact ND2-OE2 3.23Å; K383-E464 IonicContact NZ-OE1 2.65Å; K383-E464 PolarHBondContact NZ-OE1 2.83Å; K383-E464 IonicContact NZ-OE2 3.03Å; K383-E464 PolarHBondContact NZ-OE2 3.07Å; S460-E464 WeakPolarHBondContact O-CB 3.39Å; S460-E464 VanDerWaalsContact O-CG 3.24Å; S460-E464 WeakPolarHBondContact O-CG 3.21Å; S460-E464 PolarHBondContact O-N 3.48Å; S460-E464 PolarHBondContact OG-OE1 2.95Å; D461-E464 PolarHBondContact O-N 3.36Å; E464-E467 PolarHBondContact O-N 2.72Å; E464-L468 WeakPolarHBondContact O-CB 3.21Å; E464-L468 PolarHBondContact O-N 3.47Å
465	I	98.5	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-47.1	172.2	-71	166.5	0	0	0	110.7	W187 L245 I378 I428 L453 D461 R462 E467 L468 V469	W187-I465 HydrophobicContact CH2-CB 4.14Å; W187-I465 HydrophobicContact CH2-CD1 4.22Å; W187-I465 HydrophobicContact CH2-CG2 3.75Å; W187-I465 HydrophobicContact CZ3-CB 4.19Å; W187-I465 HydrophobicContact CZ3-CG2 3.78Å; L245-I465 HydrophobicContact CD1-CG2 3.96Å; L245-I465 HydrophobicContact CD2-CG2 3.87Å; I378-I465 HydrophobicContact CD1-CD1 4.27Å; I378-I465 HydrophobicContact CD1-CG1 4.2Å; I378-I465 HydrophobicContact CG2-CG1 3.75Å; I428-I465 HydrophobicContact CD1-CB 4.45Å; I428-I465 HydrophobicContact CD1-CD1 4.49Å; I428-I465 HydrophobicContact CD1-CG1 3.95Å; I428-I465 HydrophobicContact CD1-CG2 3.91Å; L453-I465 HydrophobicContact CD1-CD1 4.05Å; L453-I465 HydrophobicContact CD2-CD1 4.23Å; D461-I465 VanDerWaalsContact O-CG1 3.27Å; D461-I465 WeakPolarHBondContact O-CG1 3.31Å; D461-I465 PolarHBondContact O-N 2.83Å; R462-I465 PolarHBondContact O-N 2.8Å; I465-E467 VanDerWaalsContact C-N 3.3Å; I465-E467 PolarHBondContact O-N 3.42Å; I465-L468 PolarHBondContact O-N 2.93Å; I465-V469 WeakPolarHBondContact O-CG2 3.33Å; I465-V469 PolarHBondContact O-N 2.99Å
466	A	97.9	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-37.1	178.9	0	0	0	0	0	112.1	Y190 F191 R462 T463 M470	Y190-A466 HydrophobicContact CG-CB 4.45Å; F191-A466 HydrophobicContact CD1-CB 4.41Å; F191-A466 HydrophobicContact CE1-CB 3.88Å; F191-A466 WeakPolarHBondContact CE1-O 3.49Å; F191-A466 HydrophobicContact CE2-CB 3.99Å; F191-A466 HydrophobicContact CZ-CB 3.65Å; R462-A466 WeakPolarHBondContact O-CB 3.5Å; R462-A466 PolarHBondContact O-N 3.03Å; T463-A466 PolarHBondContact O-N 2.9Å; A466-M470 WeakPolarHBondContact O-CG 3.43Å; A466-M470 PolarHBondContact O-N 3.44Å
467	E	97	Very high	95.3	Very high	79 Å²	79	38.3 Å²	38.3	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-39.2	174.5	-173	51.7	-144.9	0	0	112.9	K194 T463 E464 I465 V469 M470 Q471	K194-E467 IonicContact NZ-OE2 2.69Å; K194-E467 PolarHBondContact NZ-OE2 2.9Å; T463-E467 WeakPolarHBondContact O-CB 3.38Å; T463-E467 PolarHBondContact O-N 3.48Å; E464-E467 PolarHBondContact O-N 2.72Å; I465-E467 VanDerWaalsContact C-N 3.3Å; I465-E467 PolarHBondContact O-N 3.42Å; E467-V469 VanDerWaalsContact C-N 3.35Å; E467-V469 PolarHBondContact O-N 3.39Å; E467-M470 WeakPolarHBondContact O-CB 3.49Å; E467-M470 PolarHBondContact O-N 3.18Å; E467-Q471 WeakPolarHBondContact O-CG 3.49Å; E467-Q471 PolarHBondContact O-N 2.91Å; E467-Q471 VanDerWaalsContact O-N 3.07Å; E467-Q471 PolarHBondContact OE1-NE2 2.85Å
468	L	97.6	Very high	94.7	Very high	29 Å²	29	42.6 Å²	42.6	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-40.7	174.3	-166.9	58.8	0	0	0	111.6	M272 I378 D427 I428 E464 I465 Q471 R472	M272-L468 HydrophobicContact CE-CB 4.43Å; M272-L468 HydrophobicContact CE-CG 3.86Å; M272-L468 WeakPolarHBondContact CE-O 3.28Å; M272-L468 HydrophobicContact SD-CB 4.15Å; M272-L468 HydrophobicContact SD-CD2 4.04Å; M272-L468 HydrophobicContact SD-CG 3.84Å; I378-L468 HydrophobicContact CG2-CD2 4.39Å; D427-L468 HydrophobicContact CB-CD2 3.99Å; D427-L468 WeakPolarHBondContact O-CD2 3.45Å; I428-L468 HydrophobicContact CG1-CD2 3.99Å; E464-L468 WeakPolarHBondContact O-CB 3.21Å; E464-L468 PolarHBondContact O-N 3.47Å; I465-L468 PolarHBondContact O-N 2.93Å; L468-Q471 PolarHBondContact O-N 3.22Å; L468-R472 WeakPolarHBondContact O-CB 3.42Å; L468-R472 PolarHBondContact O-N 2.83Å
469	V	98.1	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-44.2	172.8	171.2	0	0	0	0	111.7	L177 F191 F243 L245 M272 I465 E467 Q471 R472 M473	L177-V469 HydrophobicContact CD1-CG1 3.93Å; L177-V469 HydrophobicContact CD2-CG1 3.86Å; F191-V469 HydrophobicContact CE1-CB 4Å; F191-V469 HydrophobicContact CE1-CG1 3.83Å; F191-V469 HydrophobicContact CZ-CB 3.99Å; F191-V469 HydrophobicContact CZ-CG1 3.92Å; F191-V469 HydrophobicContact CZ-CG2 4.49Å; F243-V469 HydrophobicContact CD1-CG1 4.05Å; F243-V469 HydrophobicContact CE1-CG1 4.07Å; F243-V469 HydrophobicContact CE1-CG2 4.47Å; L245-V469 HydrophobicContact CB-CG2 4.35Å; L245-V469 HydrophobicContact CD1-CG2 4.03Å; L245-V469 HydrophobicContact CD2-CG2 4.26Å; L245-V469 HydrophobicContact CG-CG2 4.43Å; M272-V469 HydrophobicContact CB-CG2 4.39Å; M272-V469 HydrophobicContact CE-CG2 4.3Å; M272-V469 HydrophobicContact SD-CG2 3.57Å; M272-V469 VanDerWaalsContact SD-CG2 3.57Å; I465-V469 WeakPolarHBondContact O-CG2 3.33Å; I465-V469 PolarHBondContact O-N 2.99Å; E467-V469 VanDerWaalsContact C-N 3.35Å; E467-V469 PolarHBondContact O-N 3.39Å; V469-Q471 PolarHBondContact O-N 3.38Å; V469-R472 PolarHBondContact O-N 2.85Å; V469-M473 HydrophobicContact CG1-CG 4.23Å; V469-M473 HydrophobicContact CG1-SD 3.88Å; V469-M473 WeakPolarHBondContact O-CB 3.33Å; V469-M473 WeakPolarHBondContact O-CG 3.24Å; V469-M473 PolarHBondContact O-N 2.93Å
470	M	96.1	Very high	92.7	Very high	10 Å²	10	47 Å²	47	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-54.7	-52.7	175.1	-72	-64.1	-52	0	0	111.7	F191 K194 K195 L196 I202 A466 E467 R472 M473 Q474	F191-M470 HydrophobicContact CD1-CG 4.44Å; F191-M470 HydrophobicContact CD1-SD 4.01Å; F191-M470 HydrophobicContact CE1-CG 4.45Å; F191-M470 HydrophobicContact CE1-SD 4.44Å; K194-M470 HydrophobicContact CB-CE 3.84Å; K194-M470 HydrophobicContact CB-SD 3.66Å; K194-M470 HydrophobicContact CD-CE 4.45Å; K194-M470 HydrophobicContact CD-CG 3.5Å; K194-M470 HydrophobicContact CD-SD 3.71Å; K194-M470 HydrophobicContact CG-SD 4.34Å; K195-M470 VanDerWaalsContact O-CE 3.29Å; K195-M470 WeakPolarHBondContact O-CE 3.31Å; L196-M470 HydrophobicContact CD2-CE 3.7Å; L196-M470 HydrophobicContact CG-CE 4.06Å; I202-M470 HydrophobicContact CD1-CE 3.94Å; I202-M470 HydrophobicContact CD1-SD 3.3Å; I202-M470 WeakPolarHBondContact CD1-SD 3.4Å; A466-M470 WeakPolarHBondContact O-CG 3.43Å; A466-M470 PolarHBondContact O-N 3.44Å; E467-M470 WeakPolarHBondContact O-CB 3.49Å; E467-M470 PolarHBondContact O-N 3.18Å; M470-R472 VanDerWaalsContact C-N 3.29Å; M470-R472 PolarHBondContact O-N 2.78Å; M470-M473 PolarHBondContact O-N 2.87Å; M470-Q474 VanDerWaalsContact O-CB 3.31Å; M470-Q474 WeakPolarHBondContact O-CB 3.42Å; M470-Q474 PolarHBondContact O-N 2.74Å
471	Q	95.2	Very high	91	Very high	101 Å²	101	47.7 Å²	47.7	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-39.9	-178.3	-68	169.5	15.9	0	0	111.1	E467 L468 V469 S475	E467-Q471 WeakPolarHBondContact O-CG 3.49Å; E467-Q471 PolarHBondContact O-N 2.91Å; E467-Q471 VanDerWaalsContact O-N 3.07Å; E467-Q471 PolarHBondContact OE1-NE2 2.85Å; L468-Q471 PolarHBondContact O-N 3.22Å; V469-Q471 PolarHBondContact O-N 3.38Å; Q471-S475 WeakPolarHBondContact O-CB 3.34Å; Q471-S475 PolarHBondContact O-N 2.8Å
472	R	95.5	Very high	88.8	Confident	100 Å²	100	53.6 Å²	53.6	38%	0.377	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-47.6	178	-162.2	57.1	160.6	148.2	-7.9	112.1	F243 M272 L468 V469 M470 Q474 S475 I476	F243-R472 HydrophobicContact CE2-CB 4.27Å; F243-R472 HydrophobicContact CE2-CG 3.83Å; F243-R472 HydrophobicContact CZ-CB 4.08Å; F243-R472 HydrophobicContact CZ-CG 3.77Å; M272-R472 HydrophobicContact CE-CB 3.49Å; M272-R472 VanDerWaalsContact CE-CB 3.49Å; M272-R472 HydrophobicContact CE-CG 3.81Å; L468-R472 WeakPolarHBondContact O-CB 3.42Å; L468-R472 PolarHBondContact O-N 2.83Å; V469-R472 PolarHBondContact O-N 2.85Å; M470-R472 VanDerWaalsContact C-N 3.29Å; M470-R472 PolarHBondContact O-N 2.78Å; R472-Q474 VanDerWaalsContact C-N 3.34Å; R472-Q474 PolarHBondContact O-N 2.85Å; R472-S475 PolarHBondContact O-N 2.81Å; R472-S475 PolarHBondContact O-OG 3.32Å; R472-I476 HydrophobicContact CG-CD1 4.3Å; R472-I476 WeakPolarHBondContact O-CD1 3.25Å; R472-I476 WeakPolarHBondContact O-CG1 3.43Å; R472-I476 PolarHBondContact O-N 3.49Å
473	M	95.7	Very high	86.2	Confident	7 Å²	7	58.4 Å²	58.4	3%	0.034	32%	0.32	C	S	.	.	H	α-helix	trans	-56.3	-48	174	-72.5	-179.7	79.9	0	0	111.1	K175 L177 L196 I202 F243 V469 M470 S475 I476 T477	K175-M473 HydrophobicContact CB-CE 3.99Å; L177-M473 HydrophobicContact CB-CE 4.38Å; L177-M473 HydrophobicContact CB-SD 4.39Å; L177-M473 HydrophobicContact CD1-SD 4.32Å; L196-M473 HydrophobicContact CD1-CB 4.06Å; L196-M473 HydrophobicContact CD1-CE 3.8Å; L196-M473 HydrophobicContact CD1-SD 4.39Å; L196-M473 HydrophobicContact CD2-CB 3.97Å; I202-M473 HydrophobicContact CD1-CE 4.3Å; I202-M473 HydrophobicContact CD1-SD 4Å; F243-M473 HydrophobicContact CB-CE 3.79Å; F243-M473 HydrophobicContact CB-CG 3.69Å; F243-M473 HydrophobicContact CB-SD 3.89Å; F243-M473 HydrophobicContact CD1-CG 4.01Å; F243-M473 HydrophobicContact CD1-SD 4.42Å; F243-M473 HydrophobicContact CD2-CG 3.61Å; F243-M473 HydrophobicContact CE2-CG 4.27Å; F243-M473 HydrophobicContact CG-CG 3.48Å; F243-M473 VanDerWaalsContact CG-CG 3.48Å; F243-M473 HydrophobicContact CG-SD 4.15Å; V469-M473 HydrophobicContact CG1-CG 4.23Å; V469-M473 HydrophobicContact CG1-SD 3.88Å; V469-M473 WeakPolarHBondContact O-CB 3.33Å; V469-M473 WeakPolarHBondContact O-CG 3.24Å; V469-M473 PolarHBondContact O-N 2.93Å; M470-M473 PolarHBondContact O-N 2.87Å; M473-S475 PolarHBondContact O-N 2.59Å; M473-I476 PolarHBondContact O-N 2.83Å; M473-T477 PolarHBondContact O-N 2.87Å; M473-T477 PolarHBondContact O-OG1 2.91Å
474	Q	93.6	Very high	83.7	Confident	64 Å²	64	65.1 Å²	65.1	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-39.1	179.9	-172.4	170.1	15.6	0	0	112.7	L196 M470 R472 I476 T477 Y478	L196-Q474 HydrophobicContact CD2-CB 3.89Å; M470-Q474 VanDerWaalsContact O-CB 3.31Å; M470-Q474 WeakPolarHBondContact O-CB 3.42Å; M470-Q474 PolarHBondContact O-N 2.74Å; R472-Q474 VanDerWaalsContact C-N 3.34Å; R472-Q474 PolarHBondContact O-N 2.85Å; Q474-I476 VanDerWaalsContact C-N 3.31Å; Q474-I476 PolarHBondContact O-N 3.01Å; Q474-T477 WeakPolarHBondContact CA-OG1 3.39Å; Q474-T477 PolarHBondContact O-N 2.82Å; Q474-T477 PolarHBondContact O-OG1 3.45Å; Q474-T477 VanDerWaalsContact O-OG1 3.08Å; Q474-Y478 HydrophobicContact CG-CD2 3.79Å; Q474-Y478 HydrophobicContact CG-CE2 3.36Å; Q474-Y478 PolarHBondContact NE2-OH 3.4Å; Q474-Y478 VanDerWaalsContact O-CD2 3.26Å; Q474-Y478 WeakPolarHBondContact O-CD2 3.13Å; Q474-Y478 PolarHBondContact O-N 2.85Å; Q474-Y478 VanDerWaalsContact O-N 3.1Å
475	S	92.1	Very high	81	Confident	54 Å²	54	69.5 Å²	69.5	38%	0.378	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-38.3	175.3	74.6	0	0	0	0	112.8	Q471 R472 M473 S479	Q471-S475 WeakPolarHBondContact O-CB 3.34Å; Q471-S475 PolarHBondContact O-N 2.8Å; R472-S475 PolarHBondContact O-N 2.81Å; R472-S475 PolarHBondContact O-OG 3.32Å; M473-S475 PolarHBondContact O-N 2.59Å; S475-S479 WeakPolarHBondContact O-CB 3.42Å; S475-S479 PolarHBondContact O-N 2.98Å; S475-S479 VanDerWaalsContact O-N 3.08Å
476	I	89.4	Confident	78.2	Confident	52 Å²	52	74.9 Å²	74.9	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-75.6	-41	-178.7	-66.1	159.2	0	0	0	110.9	F243 P270 R472 M473 Q474 S479 S480	F243-I476 HydrophobicContact CD2-CD1 4.01Å; F243-I476 HydrophobicContact CE2-CD1 3.65Å; P270-I476 HydrophobicContact CB-CD1 3.71Å; P270-I476 HydrophobicContact CG-CD1 4.17Å; P270-I476 HydrophobicContact CG-CG2 4.3Å; R472-I476 HydrophobicContact CG-CD1 4.3Å; R472-I476 WeakPolarHBondContact O-CD1 3.25Å; R472-I476 WeakPolarHBondContact O-CG1 3.43Å; R472-I476 PolarHBondContact O-N 3.49Å; M473-I476 PolarHBondContact O-N 2.83Å; Q474-I476 VanDerWaalsContact C-N 3.31Å; Q474-I476 PolarHBondContact O-N 3.01Å; I476-S479 PolarHBondContact O-N 2.85Å; I476-S480 PolarHBondContact O-N 3.41Å; I476-S480 VanDerWaalsContact O-N 3.11Å; I476-S480 PolarHBondContact O-OG 2.86Å
477	T	85.6	Confident	75.7	Confident	21 Å²	21	79.8 Å²	79.8	13%	0.129	44%	0.442	C	S	.	.	H	α-helix	trans	-64.8	-43	177.6	54.3	0	0	0	0	111.5	M197 M473 Q474 S480 S481	M197-T477 HydrophobicContact CE-CG2 4.09Å; M197-T477 VanDerWaalsContact SD-CB 3.57Å; M197-T477 HydrophobicContact SD-CG2 4.42Å; M473-T477 PolarHBondContact O-N 2.87Å; M473-T477 PolarHBondContact O-OG1 2.91Å; Q474-T477 WeakPolarHBondContact CA-OG1 3.39Å; Q474-T477 PolarHBondContact O-N 2.82Å; Q474-T477 PolarHBondContact O-OG1 3.45Å; Q474-T477 VanDerWaalsContact O-OG1 3.08Å; T477-S480 WeakPolarHBondContact O-CB 3.26Å; T477-S480 PolarHBondContact O-N 3.12Å; T477-S481 PolarHBondContact O-N 3.44Å
478	Y	81.2	Confident	73.2	Confident	110 Å²	110	84.3 Å²	84.3	43%	0.431	47%	0.468	S	S	.	.	H	α-helix	trans	-66.4	-39.1	174.8	-70.5	-45.7	0	0	0	113	M197 Q474 S480 S481	M197-Y478 HydrophobicContact CB-CE1 4.43Å; M197-Y478 HydrophobicContact CG-CD1 4.4Å; M197-Y478 HydrophobicContact CG-CE1 3.92Å; Q474-Y478 HydrophobicContact CG-CD2 3.79Å; Q474-Y478 HydrophobicContact CG-CE2 3.36Å; Q474-Y478 PolarHBondContact NE2-OH 3.4Å; Q474-Y478 VanDerWaalsContact O-CD2 3.26Å; Q474-Y478 WeakPolarHBondContact O-CD2 3.13Å; Q474-Y478 PolarHBondContact O-N 2.85Å; Q474-Y478 VanDerWaalsContact O-N 3.1Å; Y478-S480 PolarHBondContact O-N 3.48Å; Y478-S481 PolarHBondContact O-N 3.46Å; Y478-S481 VanDerWaalsContact O-N 3.16Å; Y478-S481 PolarHBondContact O-OG 2.65Å; Y478-S481 VanDerWaalsContact O-OG 3.07Å
479	S	77.3	Confident	70.6	Confident	93 Å²	93	90.8 Å²	90.8	65%	0.65	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-19.4	174.5	-171.3	0	0	0	0	113.4	S475 I476	S475-S479 WeakPolarHBondContact O-CB 3.42Å; S475-S479 PolarHBondContact O-N 2.98Å; S475-S479 VanDerWaalsContact O-N 3.08Å; I476-S479 PolarHBondContact O-N 2.85Å
480	S	69.9	Low	67.7	Low	97 Å²	97	97.2 Å²	97.2	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-91.2	-20.1	177.2	-54.3	0	0	0	0	113.2	I476 T477 Y478	I476-S480 PolarHBondContact O-N 3.41Å; I476-S480 VanDerWaalsContact O-N 3.11Å; I476-S480 PolarHBondContact O-OG 2.86Å; T477-S480 WeakPolarHBondContact O-CB 3.26Å; T477-S480 PolarHBondContact O-N 3.12Å; Y478-S480 PolarHBondContact O-N 3.48Å
481	S	60.8	Low	65.3	Low	76 Å²	76	104.8 Å²	104.8	53%	0.531	58%	0.576	S	S	.	*	H	α-helix	trans	-93.1	-8.3	-175.6	66.7	0	0	0	0	114.7	T477 Y478 P483	T477-S481 PolarHBondContact O-N 3.44Å; Y478-S481 PolarHBondContact O-N 3.46Å; Y478-S481 VanDerWaalsContact O-N 3.16Å; Y478-S481 PolarHBondContact O-OG 2.65Å; Y478-S481 VanDerWaalsContact O-OG 3.07Å; S481-P483 WeakPolarHBondContact O-CD 3.38Å
482	I	51.8	Low	62.8	Low	124 Å²	124	103 Å²	103	64%	0.636	58%	0.584	S	S	*	*	S	Bend	trans	-75.7	120.8	176.8	-63.1	170	0	0	0	109.3	K484	I482-K484 PolarHBondContact O-N 2.87Å
483	P	41.3	Very low	60.1	Low	105 Å²	105	109.8 Å²	109.8	68%	0.682	61%	0.61	S	S	*	*			trans	-62	126.5	174.4	-21.2	33.6	0	0	0	110.6	S481 V485	S481-P483 WeakPolarHBondContact O-CD 3.38Å; P483-V485 PolarHBondContact O-N 3.4Å
484	K	44.9	Very low	57.4	Low	207 Å²	207	116.1 Å²	116.1	90%	0.9	65%	0.649	S	S	*	*			trans	-66.2	98.4	170.5	-72	-177.5	179.5	177.3	0	108.9	I482 P486	I482-K484 PolarHBondContact O-N 2.87Å; K484-P486 WeakPolarHBondContact O-CD 3.24Å
485	V	41.4	Very low	55.1	Low	130 Å²	130	118.8 Å²	118.8	79%	0.788	68%	0.675	S	S	*	*			trans	-56.9	122.5	175.3	-174.4	0	0	0	0	108.7	P483 S487	P483-V485 PolarHBondContact O-N 3.4Å; V485-S487 PolarHBondContact O-N 3.37Å
486	P	40.9	Very low	52.8	Low	113 Å²	113	124.8 Å²	124.8	73%	0.734	70%	0.697	S	S	*	*			trans	-62.1	128.2	177.5	-23.2	34.3	0	0	0	110.6	K484 L488	K484-P486 WeakPolarHBondContact O-CD 3.24Å; P486-L488 PolarHBondContact O-N 3.4Å
487	S	45.5	Very low	50.3	Low	104 Å²	104	128 Å²	128	73%	0.727	72%	0.719	S	S	*	*			trans	-67.5	106.7	175.8	55.3	0	0	0	0	110	V485 Q489	V485-S487 PolarHBondContact O-N 3.37Å; S487-Q489 PolarHBondContact O-N 2.86Å
488	L	42.7	Very low	48.3	Very low	173 Å²	173	134.1 Å²	134.1	91%	0.906	75%	0.746	S	S	*	*			trans	-61	108	173	-89	162.6	0	0	0	110.3	P486	P486-L488 PolarHBondContact O-N 3.4Å
489	Q	44.2	Very low	46.3	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	76%	0.763	S	S	*	*			trans	-127.7	144.7	165.9	-70.7	-169.9	-13.7	0	0	109.1	S487	S487-Q489 PolarHBondContact O-N 2.86Å
490	T	37.3	Very low	44.4	Very low	135 Å²	135	140.4 Å²	140.4	83%	0.828	77%	0.771	S	S	*	*			trans	68.2	84.9	171	-44.9	0	0	0	0	116
491	I	46	Very low	43.3	Very low	169 Å²	169	142.7 Å²	142.7	87%	0.867	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-87	131.3	143.6	-66.6	177.4	0	0	0	107
492	G	42.8	Very low	42.1	Very low	63 Å²	63	141.8 Å²	141.8	65%	0.649	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77	158	-177.7	0	0	0	0	0	113.9
493	R	38.1	Very low	41.5	Very low	243 Å²	243	144.6 Å²	144.6	92%	0.917	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.9	139.7	165.6	-62	172.3	175.1	168.5	-4	109.6
494	T	38.2	Very low	41.4	Very low	140 Å²	140	142.6 Å²	142.6	86%	0.859	80%	0.797	S	S	*	*				170.9	113.9	121.8	38.9	0	0	0	0	111.1
495	S	45.3	Very low	41	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	80%	0.798	S	S	*	*			trans	-176	132.9	141.4	54.8	0	0	0	0	109.6
496	E	43.7	Very low	40.9	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	80%	0.798	S	S	*	*			trans	-74.9	170	170.9	-70.7	148.5	136	0	0	109.9
497	T	37.8	Very low	40.8	Very low	120 Å²	120	139.1 Å²	139.1	74%	0.736	80%	0.803	S	S	*	*			cis	172.9	165.8	-12.4	-81.2	0	0	0	0	103.5
498	E	43	Very low	40.6	Very low	148 Å²	148	138.4 Å²	138.4	69%	0.692	80%	0.804	S	S	*	*			trans	73.5	143.8	-177.8	-50.7	-150.2	120.2	0	0	116.3
499	R	40	Very low	40.9	Very low	208 Å²	208	136.4 Å²	136.4	79%	0.785	80%	0.799	S	S	*	*			cis	-155.7	139.7	-19.6	-113.3	-174.5	-150.5	-131.3	3.4	108.8
500	P	36.3	Very low	40.7	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	80%	0.8	S	S	*	*			trans	-99.8	141	179.3	36.1	-32.1	0	0	0	114.1
501	V	46.7	Very low	41.2	Very low	146 Å²	146	136 Å²	136	89%	0.885	80%	0.803	S	S	*	*			trans	-141.5	141.8	160.6	-175.8	0	0	0	0	107.9
502	G	35.9	Very low	41	Very low	57 Å²	57	131.7 Å²	131.7	59%	0.588	79%	0.792	S	S	*	*			trans	-112.3	-149.1	-177.5	0	0	0	0	0	114.1
503	I	40	Very low	41	Very low	182 Å²	182	137 Å²	137	93%	0.933	80%	0.8	S	S	*	*			trans	79.5	130.2	-171.7	-47.4	160.5	0	0	0	112
504	G	39.4	Very low	41.3	Very low	64 Å²	64	131.2 Å²	131.2	66%	0.66	79%	0.794	S	S	*	*			cis	179.2	157.1	-7.6	0	0	0	0	0	114.5
505	I	36.5	Very low	41.4	Very low	181 Å²	181	129.2 Å²	129.2	93%	0.928	79%	0.785	S	S	*	*			trans	25	119.8	155.4	-46.9	177.1	0	0	0	119.3
506	G	39.6	Very low	41.4	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	79%	0.789	S	S	*	*			trans	-163.4	143.6	160	0	0	0	0	0	111
507	S	36.7	Very low	41.2	Very low	120 Å²	120	126.5 Å²	126.5	84%	0.839	78%	0.78	S	S	*	*			trans	-141.3	-179.9	-167.8	62.2	0	0	0	0	114
508	A	42.2	Very low	41.8	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	78%	0.784	S	S	*	*			trans	83.9	145.4	-178.6	0	0	0	0	0	115.1
509	T	48.3	Very low	41.8	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	79%	0.792	S	S	*	*			cis	-163	152.8	-5.9	4.8	0	0	0	0	111.3
510	P	41.5	Very low	42.1	Very low	123 Å²	123	120.3 Å²	120.3	80%	0.799	79%	0.793	S	S	*	*			trans	-118.6	153.6	159.3	37.3	-27.2	0	0	0	113.9
511	L	47.6	Very low	42.4	Very low	169 Å²	169	120.4 Å²	120.4	89%	0.885	79%	0.791	S	S	*	*			trans	-119	122.1	172.9	-75.7	156.9	0	0	0	108.1
512	A	40.8	Very low	42.2	Very low	78 Å²	78	121.4 Å²	121.4	65%	0.645	79%	0.785	S	S	*	*				79.4	97.4	72.5	0	0	0	0	0	112.6
513	Q	43	Very low	42.7	Very low	174 Å²	174	124.6 Å²	124.6	81%	0.813	80%	0.796	S	S	*	*				87.1	168.5	93.8	-99.7	-162.6	-63	0	0	113.5
514	P	45.3	Very low	42.6	Very low	122 Å²	122	120.3 Å²	120.3	79%	0.792	79%	0.787	S	S	*	*			cis	-127	-153	9.5	40.2	-20.4	0	0	0	115.5
515	S	40.3	Very low	42.9	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	80%	0.8	S	S	*	*			trans	-141.1	163.4	-146.3	53.9	0	0	0	0	117
516	I	45	Very low	43	Very low	182 Å²	182	125.7 Å²	125.7	93%	0.933	79%	0.793	S	S	*	*			trans	-165.8	155.9	154.2	-109.5	161.8	0	0	0	107.5
517	G	38.2	Very low	43.5	Very low	63 Å²	63	127.2 Å²	127.2	65%	0.649	79%	0.789	S	S	*	*			cis	-158.8	-170.9	1.1	0	0	0	0	0	111.5
518	P	51.8	Low	44.1	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	78%	0.783	S	S	*	*			trans	-129	172.7	-149.5	42.7	-30.8	0	0	0	120.2
519	S	43.4	Very low	44	Very low	123 Å²	123	127.9 Å²	127.9	86%	0.86	79%	0.786	S	S	*	*			trans	82.9	140.8	157.6	-60.2	0	0	0	0	118.8
520	A	45.5	Very low	44.1	Very low	96 Å²	96	131.3 Å²	131.3	79%	0.793	79%	0.793	S	S	*	*			cis	-163.2	-174.8	-13.9	0	0	0	0	0	108.6
521	V	42	Very low	44	Very low	129 Å²	129	134 Å²	134	78%	0.782	80%	0.795	S	S	*	*			cis	-151.6	-147.6	6	76.5	0	0	0	0	111.4
522	H	43.6	Very low	43.8	Very low	167 Å²	167	134.1 Å²	134.1	77%	0.773	80%	0.796	S	S	*	*			trans	-132.9	-166.3	-169.9	-61.7	-91.8	0	0	0	112.9
523	P	45.2	Very low	43.6	Very low	125 Å²	125	134.5 Å²	134.5	81%	0.812	79%	0.793	S	S	*	*			cis	-134.8	-178.5	-22.8	21.1	4.5	0	0	0	116.8
524	A	38.3	Very low	43.3	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	79%	0.789	S	S	*	*			trans	-73.1	176.8	-179.2	0	0	0	0	0	119.7
525	F	45.6	Very low	43.2	Very low	213 Å²	213	133.2 Å²	133.2	93%	0.934	79%	0.788	S	S	*	*			trans	-149.4	152.3	153.6	-117.1	-81.1	0	0	0	113
526	N	38.8	Very low	43.1	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	79%	0.789	S	S	*	*			trans	-160.9	157.5	176.5	-144.6	7.4	0	0	0	106.2
527	P	50	Low	42.9	Very low	107 Å²	107	135.9 Å²	135.9	70%	0.695	79%	0.787	S	S	*	*				-155.4	-139.3	61.4	43.5	-18.2	0	0	0	111.5
528	P	49.3	Very low	42.7	Very low	109 Å²	109	138 Å²	138	71%	0.708	79%	0.792	S	S	*	*			cis	-134.8	157.4	-19.4	36.3	-16.4	0	0	0	119
529	S	40.5	Very low	42.2	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	80%	0.795	S	S	*	*			trans	18.8	133.5	141.6	-45.9	0	0	0	0	124.8
530	Q	50.1	Low	41.8	Very low	203 Å²	203	140.2 Å²	140.2	95%	0.949	79%	0.785	S	S	*	*				-156.6	164.2	116.9	-112.7	-178.9	51.2	0	0	112.3
531	Q	39.1	Very low	41.7	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	79%	0.789	S	S	*	*			trans	-156.7	145.2	-158.9	176.7	-173	2.9	0	0	112.3
532	L	43.3	Very low	41.4	Very low	172 Å²	172	146.9 Å²	146.9	90%	0.901	79%	0.791	S	S	*	*			trans	-162.3	168.1	158.4	-110	157.5	0	0	0	111.7
533	S	37.8	Very low	41.4	Very low	85 Å²	85	144.4 Å²	144.4	59%	0.594	79%	0.792	S	S	*	*			trans	-142.7	139.7	-139.1	56.5	0	0	0	0	118.9
534	S	36.8	Very low	41.2	Very low	105 Å²	105	147.7 Å²	147.7	73%	0.734	80%	0.797	S	S	*	*			trans	18.7	139.5	142.5	63.1	0	0	0	0	123.2
535	Q	41.6	Very low	41.6	Very low	165 Å²	165	149.5 Å²	149.5	77%	0.771	80%	0.801	S	S	*	*			trans	-173.2	137.6	132.8	-100	-65.3	-12.6	0	0	111.1
536	P	39.3	Very low	41.4	Very low	107 Å²	107	144.3 Å²	144.3	70%	0.695	80%	0.798	S	S	*	*			trans	-125.4	143.1	171.8	38.2	-25.6	0	0	0	114.6
537	Y	40.2	Very low	41.4	Very low	228 Å²	228	145.5 Å²	145.5	89%	0.894	80%	0.804	S	S	*	*			trans	-148.3	161.6	167.5	-107.2	-84.4	0	0	0	113
538	S	33.7	Very low	41	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	81%	0.806	S	S	*	*			trans	-129	153.1	-178.6	-59.4	0	0	0	0	111.2
539	Q	41.1	Very low	40.5	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.864	81%	0.813	S	S	*	*				177.3	127.8	128.2	-97.3	-176.9	16	0	0	115
540	V	36.4	Very low	40.6	Very low	110 Å²	110	151.6 Å²	151.6	67%	0.667	82%	0.817	S	S	*	*			trans	44.5	116.5	132.1	-170.6	0	0	0	0	121.2
541	H	42.6	Very low	39.9	Very low	186 Å²	186	149.6 Å²	149.6	86%	0.861	81%	0.811	S	S	*	*				-160.3	163	112.8	-109.4	79.3	0	0	0	114
542	Q	37	Very low	40	Very low	178 Å²	178	145.4 Å²	145.4	83%	0.832	80%	0.799	S	S	*	*			trans	-124.1	147.1	-173.4	-63.6	174.9	-41.8	0	0	112.9
543	S	42.2	Very low	39.7	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	80%	0.797	S	S	*	*			trans	174.7	109.6	142.6	27.4	0	0	0	0	108.2
544	Q	42.5	Very low	39.7	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	80%	0.802	S	S	*	*				78.3	131.4	81.2	-90.4	-165.5	-9.1	0	0	115.7
545	P	44.8	Very low	39.8	Very low	130 Å²	130	146.9 Å²	146.9	84%	0.844	80%	0.799	S	S	*	*			trans	-106.9	167.8	-172.4	41.5	-36.2	0	0	0	114.9
546	A	42.8	Very low	39.7	Very low	104 Å²	104	146.1 Å²	146.1	86%	0.86	80%	0.796	S	S	*	*			trans	-149.3	154.4	168	0	0	0	0	0	112.9
547	N	37.4	Very low	39.6	Very low	171 Å²	171	149.5 Å²	149.5	91%	0.914	80%	0.799	S	S	*	*			trans	-111.4	142.2	179.2	-79.2	-39.8	0	0	0	112.1
548	A	42.2	Very low	39.5	Very low	89 Å²	89	149.1 Å²	149.1	74%	0.736	80%	0.798	S	S	*	*			trans	-170.8	116.1	148.6	0	0	0	0	0	108.3
549	Q	39.7	Very low	40.2	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	80%	0.8	S	S	*	*				60.9	98.4	80.5	-71	-172.1	-30	0	0	115.4
550	Q	41.4	Very low	40.5	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	79%	0.794	S	S	*	*				-180	164.7	107.7	-94.7	175.4	14.8	0	0	113.8
551	I	35.7	Very low	40.6	Very low	161 Å²	161	146.3 Å²	146.3	83%	0.826	80%	0.798	S	S	*	*			trans	-144.3	175.4	178	8.7	172.9	0	0	0	105.8
552	P	41.9	Very low	40.5	Very low	92 Å²	92	143.8 Å²	143.8	60%	0.597	80%	0.795	S	S	*	*			cis	-141.5	-173.4	9.1	43.5	-24.3	0	0	0	116.9
553	Q	36.6	Very low	40.5	Very low	182 Å²	182	138.5 Å²	138.5	85%	0.85	79%	0.789	S	S	*	*			trans	66.1	148.4	148.6	-74.4	158.7	7.2	0	0	119.1
554	S	38.5	Very low	40.4	Very low	100 Å²	100	139 Å²	139	70%	0.699	79%	0.787	S	S	*	*			cis	-165	149.7	39.9	49	0	0	0	0	116.3
555	T	38.9	Very low	40.3	Very low	111 Å²	111	136 Å²	136	68%	0.681	78%	0.782	S	S	*	*			trans	49.8	125.6	143.9	51.6	0	0	0	0	126.6
556	Q	38.6	Very low	40.1	Very low	149 Å²	149	134.9 Å²	134.9	70%	0.696	78%	0.777	S	S	*	*			trans	73	155	132.5	-66.7	180	22.6	0	0	119.1
557	K	36.7	Very low	39.7	Very low	178 Å²	178	136.9 Å²	136.9	77%	0.774	77%	0.774	S	S	*	*			cis	-156	159.1	9.1	-133.2	157.1	-174.9	149.8	0	111.7
558	Y	38.3	Very low	39.7	Very low	220 Å²	220	135 Å²	135	86%	0.863	77%	0.768	S	S	*	*			trans	-89.5	164	164.9	-71.6	-90.3	0	0	0	111.5
559	P	50.1	Low	39.5	Very low	122 Å²	122	135.8 Å²	135.8	79%	0.792	77%	0.769	S	S	*	*				-148	172.7	102.6	39.4	-23.6	0	0	0	116.2
560	P	45.7	Very low	39.5	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	77%	0.765	S	S	*	*			trans	-117.6	-176.6	179.9	42.9	-33.2	0	0	0	115.7
561	S	38.7	Very low	39.5	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	76%	0.76	S	S	*	*			trans	72.4	159.7	165.7	75.1	0	0	0	0	117
562	T	40.9	Very low	39.7	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	76%	0.761	S	S	*	*			cis	-157.8	147.7	9.6	-26.1	0	0	0	0	112.8
563	G	37.7	Very low	39.6	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	77%	0.769	S	S	*	*			trans	73.6	175.7	148	0	0	0	0	0	119.9
564	V	40.6	Very low	39.8	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	77%	0.771	S	S	*	*			cis	-157.3	143.1	-18.9	-159.9	0	0	0	0	109.3
565	T	39.5	Very low	39.9	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	77%	0.768	S	S	*	*			trans	60.5	162.3	158.9	34.3	0	0	0	0	119.2
566	S	39.4	Very low	39.8	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	78%	0.782	S	S	*	*			cis	-159.5	168.4	-9.9	40	0	0	0	0	111.7
567	N	34.5	Very low	39.7	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	79%	0.785	S	S	*	*			trans	-49.2	153.5	176.8	-49	-21.7	0	0	0	116.2
568	T	39.3	Very low	39.6	Very low	130 Å²	130	128.1 Å²	128.1	80%	0.798	79%	0.788	S	S	*	*				-176.3	127.5	99.8	37.2	0	0	0	0	114.6
569	S	37.2	Very low	39.8	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	79%	0.79	S	S	*	*			trans	43.8	150.1	132.8	-51	0	0	0	0	124.9
570	S	39	Very low	39.2	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	79%	0.787	S	S	*	*			trans	77.3	144.9	157.1	73.2	0	0	0	0	118.2
571	L	40.9	Very low	39.6	Very low	150 Å²	150	124.8 Å²	124.8	79%	0.785	79%	0.794	S	S	*	*			cis	-159.4	155.2	-5.6	-115.8	163.5	0	0	0	110.4
572	I	41.2	Very low	39.8	Very low	164 Å²	164	124.8 Å²	124.8	84%	0.841	80%	0.8	S	S	*	*			trans	70	128.2	159.3	-60.4	156.9	0	0	0	118.7
573	G	38.8	Very low	39.4	Very low	74 Å²	74	126.9 Å²	126.9	76%	0.763	81%	0.805	S	S	*	*			trans	165.2	84.2	169.2	0	0	0	0	0	113.4
574	E	42	Very low	39.7	Very low	190 Å²	190	128.6 Å²	128.6	89%	0.888	81%	0.807	S	S	*	*			trans	-76.8	160.9	-176.4	-88.9	-80.7	104.3	0	0	114.2
575	P	39.8	Very low	39.6	Very low	98 Å²	98	131.4 Å²	131.4	64%	0.636	81%	0.809	S	S	*	*			trans	-102.7	163.3	-164.1	39.8	-36.1	0	0	0	115.2
576	M	36.4	Very low	39.8	Very low	200 Å²	200	132.7 Å²	132.7	99%	0.985	81%	0.805	S	S	*	*			trans	178.4	153	146	-98.2	-94.9	-84.8	0	0	111.1
577	G	36.4	Very low	40	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	80%	0.799	S	S	*	*			trans	133.4	87.1	165.5	0	0	0	0	0	116.3
578	S	35.2	Very low	40.4	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	80%	0.801	S	S	*	*			trans	-92	155.5	159.7	57.2	0	0	0	0	110.5
579	V	42.8	Very low	41	Very low	146 Å²	146	132.1 Å²	132.1	89%	0.885	80%	0.803	S	S	*	*			trans	-138.9	127.2	175.4	-127.7	0	0	0	0	111.2
580	S	37.8	Very low	41.1	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	81%	0.806	S	S	*	*			trans	-115	150.7	172.1	-58.4	0	0	0	0	109.8
581	P	54	Low	41.2	Very low	135 Å²	135	134.5 Å²	134.5	88%	0.877	81%	0.809	S	S	*	*			trans	-67.7	149.8	164.3	-15.7	31.1	0	0	0	111.4
582	A	41.3	Very low	41.2	Very low	108 Å²	108	132.1 Å²	132.1	89%	0.893	80%	0.8	S	S	*	*			trans	-111.1	178.2	-171.1	0	0	0	0	0	114.3
583	L	33.5	Very low	41.2	Very low	175 Å²	175	130.3 Å²	130.3	92%	0.916	80%	0.797	S	S	*	*			trans	-126.9	142.7	-169.9	-173.7	90.5	0	0	0	112.2
584	S	43.3	Very low	41.3	Very low	104 Å²	104	131.5 Å²	131.5	73%	0.727	79%	0.793	S	S	*	*			trans	-151.2	110.7	164	54.9	0	0	0	0	110.7
585	K	39.1	Very low	41.2	Very low	185 Å²	185	132.2 Å²	132.2	80%	0.804	79%	0.794	S	S	*	*				62.6	130.4	103.3	-65.7	-174.5	176.6	-174.4	0	114.2
586	H	44.8	Very low	41.2	Very low	158 Å²	158	130.5 Å²	130.5	73%	0.731	79%	0.794	S	S	*	*				-168.1	148.2	54.2	-131.2	-80.3	0	0	0	113.4
587	S	43.5	Very low	41.4	Very low	88 Å²	88	126.8 Å²	126.8	62%	0.615	79%	0.788	S	S	*	*			trans	51.4	147.1	150.5	44	0	0	0	0	122.1
588	D	41.6	Very low	41.5	Very low	155 Å²	155	128 Å²	128	83%	0.829	79%	0.785	S	S	*	*			cis	-162.6	176.7	-7.3	-102.3	-28.2	0	0	0	111.7
589	P	51.3	Low	41.6	Very low	128 Å²	128	128.4 Å²	128.4	83%	0.831	78%	0.782	S	S	*	*			trans	-124.7	175.3	-141.1	45.3	-37.6	0	0	0	120.3
590	G	40.3	Very low	41.6	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	78%	0.782	S	S	*	*			trans	154.1	143.6	161.9	0	0	0	0	0	112.1
591	F	41.4	Very low	41.5	Very low	189 Å²	189	128 Å²	128	83%	0.829	79%	0.786	S	S	*	*			cis	-156.7	133.8	2.1	163.9	-95	0	0	0	110.5
592	V	40.7	Very low	40.5	Very low	100 Å²	100	129.6 Å²	129.6	61%	0.606	79%	0.786	S	S	*	*			trans	27.7	130.3	149.6	167.1	0	0	0	0	119.5
593	T	40.9	Very low	40.4	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	79%	0.789	S	S	*	*			cis	-159.9	-152.9	-2.8	32.5	0	0	0	0	107.8
594	S	40.5	Very low	40.4	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	78%	0.784	S	S	*	*			cis	-157.8	-115.6	14.9	63.3	0	0	0	0	116.1
595	F	41.3	Very low	40.1	Very low	205 Å²	205	134.7 Å²	134.7	90%	0.899	79%	0.793	S	S	*	*			trans	-107.1	152	-160.8	-60.4	-77.2	0	0	0	114.2
596	G	39.1	Very low	40	Very low	62 Å²	62	130.1 Å²	130.1	64%	0.639	79%	0.789	S	S	*	*			cis	164.2	159.1	-9	0	0	0	0	0	114.4
597	S	39.7	Very low	39.8	Very low	122 Å²	122	130.8 Å²	130.8	85%	0.853	80%	0.798	S	S	*	*			trans	63.9	145.6	157.9	-56.5	0	0	0	0	120.2
598	S	39	Very low	39.5	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	81%	0.807	S	S	*	*			cis	-157.2	126.1	-3.8	-114.4	0	0	0	0	114.6
599	T	37.5	Very low	39.6	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	80%	0.799	S	S	*	*			trans	27.9	134	132.2	59.4	0	0	0	0	123.1
600	S	42.5	Very low	39.1	Very low	126 Å²	126	131.7 Å²	131.7	88%	0.881	79%	0.794	S	S	*	*				-157.3	152.5	122.7	51.4	0	0	0	0	111.3
601	S	37	Very low	39.1	Very low	119 Å²	119	136 Å²	136	83%	0.832	79%	0.794	S	S	*	*			trans	-147	162.3	-176.3	55.4	0	0	0	0	112.1
602	L	32.9	Very low	39	Very low	167 Å²	167	134.3 Å²	134.3	87%	0.874	80%	0.799	S	S	*	*			trans	-74.7	146.7	-175.4	-54.1	101.7	0	0	0	113.2
603	S	37.8	Very low	38.8	Very low	135 Å²	135	134.3 Å²	134.3	94%	0.944	80%	0.804	S	S	*	*			trans	-167.6	158.2	140.3	-85.9	0	0	0	0	111.9
604	S	35.3	Very low	38.7	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	81%	0.813	S	S	*	*			trans	-126.6	134	-173.3	52.2	0	0	0	0	113.4
605	R	36.5	Very low	38.5	Very low	243 Å²	243	139.4 Å²	139.4	92%	0.917	82%	0.817	S	S	*	*			trans	-169.8	119.9	153.5	-103.4	166.5	168.5	156.7	-2.7	105.4
606	A	36.7	Very low	38.6	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	82%	0.817	S	S	*	*				75.1	106	64.6	0	0	0	0	0	112.6
607	D	40.5	Very low	38.6	Very low	173 Å²	173	139.5 Å²	139.5	93%	0.925	82%	0.824	S	S	*	*			trans	-159.3	154.5	145	-100.8	-31.8	0	0	0	109.4
608	T	36.8	Very low	38.4	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	82%	0.821	S	S	*	*			trans	-123.9	167.7	-179.7	-28.3	0	0	0	0	108.4
609	P	44.7	Very low	38.3	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	83%	0.829	S	S	*	*				-159.9	176.8	96.4	43.1	-24	0	0	0	118.4
610	H	40.8	Very low	38.2	Very low	156 Å²	156	140.8 Å²	140.8	72%	0.722	83%	0.833	S	S	*	*			trans	65.4	102.2	153.5	-67.8	-57.8	0	0	0	123.3
611	Q	38.7	Very low	37.9	Very low	169 Å²	169	139.4 Å²	139.4	79%	0.79	83%	0.829	S	S	*	*				49	121.6	121.1	-63.2	179.9	15.2	0	0	121.8
612	T	39.9	Very low	37.8	Very low	154 Å²	154	138.6 Å²	138.6	95%	0.945	83%	0.83	S	S	*	*				-158.6	159.8	114.4	7.4	0	0	0	0	109.7
613	S	36.4	Very low	37.7	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	83%	0.828	S	S	*	*			trans	-132.4	132.2	-165.1	56.1	0	0	0	0	113.8
614	F	39.7	Very low	37.6	Very low	221 Å²	221	142.1 Å²	142.1	97%	0.969	83%	0.829	S	S	*	*			trans	-145.4	147	159.7	-87.9	-75	0	0	0	110.6
615	S	36.7	Very low	37.3	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	82%	0.819	S	S	*	*			trans	-158.6	139.9	-173.7	48.6	0	0	0	0	112
616	T	43.4	Very low	37.2	Very low	148 Å²	148	139.3 Å²	139.3	91%	0.908	82%	0.821	S	S	*	*			trans	-163.8	156.6	157.4	18.1	0	0	0	0	110.1
617	P	38.7	Very low	37	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	82%	0.823	S	S	*	*			trans	-120	-169.6	-157.1	43.6	-32	0	0	0	115.3
618	A	34.3	Very low	36.8	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	82%	0.823	S	S	*	*			trans	-98.2	163	175.2	0	0	0	0	0	113.4
619	T	38	Very low	36.7	Very low	140 Å²	140	139.5 Å²	139.5	86%	0.859	82%	0.824	S	S	*	*			trans	-150.3	151.7	172.8	-54.2	0	0	0	0	110.7
620	T	35.8	Very low	36.2	Very low	142 Å²	142	139.6 Å²	139.6	87%	0.871	83%	0.827	S	S	*	*			trans	-106.4	167.1	-169.5	-48.9	0	0	0	0	112.8
621	A	35.2	Very low	36	Very low	97 Å²	97	141 Å²	141	80%	0.802	83%	0.834	S	S	*	*			trans	-76.7	166.3	-169.1	0	0	0	0	0	116.9
622	A	35	Very low	35.8	Very low	102 Å²	102	139.9 Å²	139.9	84%	0.843	83%	0.833	S	S	*	*			trans	-146.4	158.9	165.1	0	0	0	0	0	111
623	S	31.6	Very low	35.9	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	82%	0.821	S	S	*	*			trans	-116.7	149.1	-161	-49.5	0	0	0	0	115.7
624	R	34.1	Very low	35.8	Very low	256 Å²	256	139.9 Å²	139.9	97%	0.966	83%	0.825	S	S	*	*			trans	-171.4	144	156.2	-98.7	165.7	-169.2	-172.4	3.1	108
625	G	28.9	Very low	35.6	Very low	60 Å²	60	137.2 Å²	137.2	62%	0.619	82%	0.82	S	S	*	*			cis	136.5	100.1	-7.1	0	0	0	0	0	113.4
626	Y	36.2	Very low	35.2	Very low	242 Å²	242	135.1 Å²	135.1	95%	0.949	82%	0.815	S	S	*	*			trans	-150.3	160.4	172.6	-81.8	-68.3	0	0	0	112
627	S	32.1	Very low	34.8	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	82%	0.816	S	S	*	*			trans	-130.9	160	-159.7	-46.9	0	0	0	0	114.3
628	T	36.8	Very low	34.5	Very low	149 Å²	149	144.7 Å²	144.7	91%	0.914	82%	0.82	S	S	*	*			trans	-154.7	159.8	154.2	6.6	0	0	0	0	110.5
629	T	34.1	Very low	34.7	Very low	134 Å²	134	145 Å²	145	82%	0.822	82%	0.817	S	S	*	*			trans	-148.9	128.7	-163.3	52.3	0	0	0	0	117
630	S	34.9	Very low	34.6	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	81%	0.81	S	S	*	*			trans	-177.3	114.8	158.1	55	0	0	0	0	109.8
631	E	34.9	Very low	34.8	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	81%	0.806	S	S	*	*				77.8	113.5	79.9	-69.8	174.7	162	0	0	112.9
632	N	34.4	Very low	34.7	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	81%	0.807	S	S	*	*			cis	90.2	150.4	35.9	-158.2	46.5	0	0	0	112.4
633	P	43.4	Very low	34.6	Very low	107 Å²	107	143.4 Å²	143.4	70%	0.695	81%	0.807	S	S	*	*			cis	-133	-166.7	-4.5	33.2	-9.6	0	0	0	116.4
634	D	33.2	Very low	34.6	Very low	147 Å²	147	146.2 Å²	146.2	79%	0.786	81%	0.812	S	S	*	*			trans	-67.9	157.9	-178.3	-46.1	-94.6	0	0	0	119.2
635	I	36.7	Very low	34.8	Very low	165 Å²	165	139.4 Å²	139.4	85%	0.846	80%	0.803	S	S	*	*			trans	-142.9	142.3	138	-59.4	-174.9	0	0	0	108.7
636	G	28.3	Very low	35.1	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	81%	0.812	S	S	*	*			trans	-141.1	162.7	175.2	0	0	0	0	0	114.4
637	Y	35.1	Very low	35	Very low	237 Å²	237	138.6 Å²	138.6	93%	0.929	81%	0.807	S	S	*	*			trans	-140.8	167.3	174.8	-97.4	-85.5	0	0	0	112.1
638	R	32.2	Very low	35.2	Very low	233 Å²	233	142.3 Å²	142.3	88%	0.879	81%	0.812	S	S	*	*			trans	-140.4	161.1	-158.4	-167.9	-175.7	-173.7	-149.6	5.1	112.6
639	S	38.4	Very low	35.1	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	80%	0.801	S	S	*	*			trans	83.2	152.8	162	91.6	0	0	0	0	116
640	N	35.8	Very low	35.2	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	80%	0.801	S	S	*	*			cis	-162.5	159.5	-8.3	-129.2	-2	0	0	0	113.7
641	I	39.5	Very low	35.3	Very low	152 Å²	152	141.6 Å²	141.6	78%	0.779	80%	0.798	S	S	*	*			trans	61.4	124.3	148.1	-63.6	160.2	0	0	0	120.6
642	G	33.2	Very low	35.3	Very low	80 Å²	80	141.8 Å²	141.8	83%	0.825	80%	0.798	S	S	*	*				120	117.6	125	0	0	0	0	0	119.6
643	G	33.3	Very low	35.4	Very low	81 Å²	81	139.8 Å²	139.8	84%	0.835	79%	0.792	S	S	*	*			trans	150.7	134.1	164.5	0	0	0	0	0	114.3
644	L	31.7	Very low	34.9	Very low	179 Å²	179	142.3 Å²	142.3	94%	0.937	80%	0.799	S	S	*	*			trans	-110.5	142.3	179.1	-63	91.5	0	0	0	112.4
645	S	37	Very low	35.1	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	80%	0.802	S	S	*	*			trans	-160.8	126.1	151.4	57.2	0	0	0	0	113.3
646	S	36.2	Very low	35	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	79%	0.793	S	S	*	*			trans	19.2	121.6	157.5	58	0	0	0	0	120.9
647	M	33.4	Very low	35.4	Very low	169 Å²	169	144.5 Å²	144.5	83%	0.833	80%	0.799	S	S	*	*			trans	-79.6	135.6	160.7	-61.9	-179.1	74.8	0	0	111.7
648	Q	37.7	Very low	35.4	Very low	190 Å²	190	141 Å²	141	89%	0.888	79%	0.791	S	S	*	*			trans	-106.3	132.4	149.7	-76.8	-173.1	-16.8	0	0	108
649	N	33	Very low	35.6	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	79%	0.787	S	S	*	*			trans	-118.6	102.8	-173.6	-151.1	11.6	0	0	0	109.6	T651	N649-T651 PolarHBondContact O-N 3.43Å
650	T	38.1	Very low	35.4	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	79%	0.791	S	S	*	*			trans	-85.3	87.7	-176	-43.6	0	0	0	0	110.2
651	T	36.2	Very low	35.2	Very low	109 Å²	109	142.3 Å²	142.3	67%	0.669	80%	0.797	S	S	*	*			trans	-72.4	127.9	180	36.2	0	0	0	0	112.5	N649 T653	N649-T651 PolarHBondContact O-N 3.43Å; T651-T653 PolarHBondContact O-N 3.16Å
652	H	35.4	Very low	35.1	Very low	190 Å²	190	142.3 Å²	142.3	88%	0.88	79%	0.793	S	S	*	*			trans	-62.8	119	169.3	-74	-111.9	0	0	0	110.5	N654	H652-N654 PolarHBondContact O-N 2.74Å
653	T	35.3	Very low	35.3	Very low	105 Å²	105	143.4 Å²	143.4	64%	0.644	79%	0.789	S	S	*	*			trans	-94.1	95.3	174.3	39.1	0	0	0	0	111.6	T651 Y655	T651-T653 PolarHBondContact O-N 3.16Å; T653-Y655 PolarHBondContact O-N 2.97Å
654	N	34	Very low	35.2	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	79%	0.791	S	S	*	*			trans	-62.3	113.7	162.4	-90.6	-28.7	0	0	0	109.5	H652 S656	H652-N654 PolarHBondContact O-N 2.74Å; N654-S656 PolarHBondContact O-N 2.66Å; N654-S656 VanDerWaalsContact O-N 3.09Å
655	Y	36.3	Very low	35.5	Very low	216 Å²	216	142.4 Å²	142.4	85%	0.847	78%	0.784	S	S	*	*			trans	-80.6	85.1	173	-89.1	-88.2	0	0	0	111	T653	T653-Y655 PolarHBondContact O-N 2.97Å
656	S	34.7	Very low	35.3	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	79%	0.789	S	S	*	*			trans	-62	132.3	163.1	-72.4	0	0	0	0	110.3	N654 H658	N654-S656 PolarHBondContact O-N 2.66Å; N654-S656 VanDerWaalsContact O-N 3.09Å; S656-H658 PolarHBondContact O-N 2.9Å; S656-H658 VanDerWaalsContact O-N 3.1Å
657	S	36.2	Very low	35.3	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	78%	0.784	S	S	*	*			trans	-73.5	98.2	-177.6	55.3	0	0	0	0	112.1	T659	S657-T659 PolarHBondContact O-N 3.22Å
658	H	35.9	Very low	35.4	Very low	163 Å²	163	141 Å²	141	76%	0.755	79%	0.787	S	S	*	*			trans	-81.2	114.3	166.2	-83.2	-70.4	0	0	0	111	S656 W660	S656-H658 PolarHBondContact O-N 2.9Å; S656-H658 VanDerWaalsContact O-N 3.1Å; H658-W660 PolarHBondContact O-N 3.25Å
659	T	36.6	Very low	35.4	Very low	132 Å²	132	141.7 Å²	141.7	81%	0.81	79%	0.787	S	S	*	*			trans	-65.2	108.7	176.7	47.7	0	0	0	0	111.7	S657 N661	S657-T659 PolarHBondContact O-N 3.22Å; T659-N661 PolarHBondContact O-N 3.14Å
660	W	33.7	Very low	35.5	Very low	210 Å²	210	140.6 Å²	140.6	80%	0.795	79%	0.79	S	S	*	*			trans	-83.3	92.6	168.9	-92.5	51.8	0	0	0	110.7	H658 Q662	H658-W660 PolarHBondContact O-N 3.25Å; W660-Q662 HydrophobicContact CE3-CG 4.14Å; W660-Q662 VanDerWaalsContact CZ3-NE2 3.28Å; W660-Q662 PolarHBondContact O-N 3.07Å
661	N	32.2	Very low	36.2	Very low	155 Å²	155	140.3 Å²	140.3	83%	0.829	79%	0.79	S	S	*	*			trans	-80.8	96.7	170.9	-147.7	16.4	0	0	0	108.3	T659	T659-N661 PolarHBondContact O-N 3.14Å
662	Q	37.8	Very low	36.4	Very low	152 Å²	152	140.6 Å²	140.6	71%	0.71	80%	0.797	S	S	*	*			trans	-105.8	96	172.8	-77.2	-152.4	-11.7	0	0	111.7	W660	W660-Q662 HydrophobicContact CE3-CG 4.14Å; W660-Q662 VanDerWaalsContact CZ3-NE2 3.28Å; W660-Q662 PolarHBondContact O-N 3.07Å
663	S	36.1	Very low	36.5	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	80%	0.798	S	S	*	*			trans	-59.1	137.6	157.5	-52.4	0	0	0	0	109.8	S665	S663-S665 PolarHBondContact O-N 3.5Å
664	S	31.4	Very low	37	Very low	125 Å²	125	144.1 Å²	144.1	87%	0.874	81%	0.806	S	S	*	*			trans	-69.1	114.3	179	53.6	0	0	0	0	112.2
665	S	37.6	Very low	37.7	Very low	113 Å²	113	141.8 Å²	141.8	79%	0.79	80%	0.8	S	S	*	*			trans	-148.2	142.1	161.8	64	0	0	0	0	111.1	S663	S663-S665 PolarHBondContact O-N 3.5Å
666	S	33.5	Very low	38.2	Very low	129 Å²	129	137.5 Å²	137.5	90%	0.902	80%	0.799	S	S	*	*			trans	-82.7	111.9	179.4	50.8	0	0	0	0	110.8
667	G	35.9	Very low	38.6	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	81%	0.808	S	S	*	*			trans	-124.1	126.4	178.2	0	0	0	0	0	112.8
668	L	35	Very low	38.7	Very low	173 Å²	173	142.2 Å²	142.2	91%	0.906	80%	0.804	S	S	*	*			trans	-77.6	134.4	173.2	-72.8	140.7	0	0	0	110.4
669	F	37.7	Very low	38.8	Very low	204 Å²	204	139 Å²	139	90%	0.895	80%	0.8	S	S	*	*			trans	-129.4	119.5	162.8	-93.6	-84.6	0	0	0	110.2
670	S	35.2	Very low	38.7	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-94.7	130.9	172.8	-63.3	0	0	0	0	109.7
671	P	52.8	Low	39	Very low	127 Å²	127	135.2 Å²	135.2	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.2	132.7	170.6	29.9	-32.6	0	0	0	110.5
672	S	41.4	Very low	39	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.2	147.2	177.1	-63.4	0	0	0	0	112.1
673	K	37.4	Very low	39.3	Very low	209 Å²	209	135.2 Å²	135.2	91%	0.909	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63	135.8	177.6	-66.6	-179.8	178	179.7	0	111.7
674	I	46.2	Very low	39.1	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	81%	0.805	S	S	*	*			trans	-109.8	132.8	156.5	-59.7	177.2	0	0	0	106.4
675	P	49.2	Very low	39.5	Very low	110 Å²	110	140 Å²	140	71%	0.714	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.6	150.9	178.4	31.6	-34.9	0	0	0	111.6
676	P	46.1	Very low	39.4	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.6	138.2	174	31.1	-33.8	0	0	0	111.1
677	M	43.6	Very low	39.5	Very low	173 Å²	173	142 Å²	142	85%	0.852	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88.1	124.4	157.8	-88.8	-168.7	67.2	0	0	109.3
678	D	36.8	Very low	39.6	Very low	133 Å²	133	147.3 Å²	147.3	71%	0.711	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-88.4	142.2	165.1	-164.8	-10.6	0	0	0	109.2
679	S	38.6	Very low	39.7	Very low	95 Å²	95	148 Å²	148	66%	0.664	80%	0.803	S	S	*	*			trans	-164.8	79.3	-179.2	-76.4	0	0	0	0	110.3	T681	S679-T681 PolarHBondContact O-N 3.19Å
680	T	35.3	Very low	39.8	Very low	133 Å²	133	144.4 Å²	144.4	82%	0.816	80%	0.8	S	S	*	*			trans	-84.7	102.5	-178.9	13.3	0	0	0	0	112.1
681	T	39	Very low	39.9	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	81%	0.806	S	S	*	*			trans	-140.6	113.9	166.6	-37.4	0	0	0	0	112.4	S679	S679-T681 PolarHBondContact O-N 3.19Å
682	K	33.2	Very low	39	Very low	189 Å²	189	146 Å²	146	82%	0.822	81%	0.809	S	S	*	*			trans	-96.3	152.2	155.2	-74.6	-175	177.7	-179.3	0	108.7
683	P	43.2	Very low	38.5	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	80%	0.803	S	S	*	*				-130.8	141.3	125	34.9	-27.2	0	0	0	112.6
684	N	32.6	Very low	38.4	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	81%	0.805	S	S	*	*			trans	-80.5	140.5	154.7	-71.7	-23.2	0	0	0	107.8
685	L	38.7	Very low	37.7	Very low	182 Å²	182	144.5 Å²	144.5	95%	0.953	81%	0.809	S	S	*	*			trans	-152.7	170.7	134.9	-137.5	70.3	0	0	0	111.6
686	M	36.3	Very low	37.2	Very low	158 Å²	158	144.1 Å²	144.1	78%	0.778	82%	0.815	S	S	*	*			trans	-115.5	155.7	-147.7	-166.4	154.7	64.2	0	0	112.3
687	N	36.3	Very low	36.6	Very low	128 Å²	128	143 Å²	143	68%	0.684	81%	0.81	S	S	*	*			trans	88.2	142.2	142.1	-109.4	15.9	0	0	0	123.3
688	Q	38.2	Very low	36.3	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	80%	0.798	S	S	*	*			trans	96.5	152.6	148.1	-71.7	172.4	119	0	0	121.2
689	Q	36.7	Very low	36.4	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	80%	0.8	S	S	*	*			trans	-104.8	163.4	-160.5	-75.7	171.2	-94.2	0	0	112.4
690	P	38.1	Very low	36.2	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	80%	0.803	S	S	*	*			trans	-80.3	163.2	179.4	34.1	-37.4	0	0	0	113.6
691	S	37.4	Very low	36.3	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	80%	0.804	S	S	*	*			trans	-126.9	172.5	167.7	59.2	0	0	0	0	111.1
692	T	34.3	Very low	36	Very low	143 Å²	143	139.7 Å²	139.7	88%	0.877	80%	0.797	S	S	*	*			trans	-122.9	151.3	-155.1	51.3	0	0	0	0	115.4
693	G	31.4	Very low	36.1	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	80%	0.798	S	S	*	*			trans	109.3	137.7	145.1	0	0	0	0	0	116.4
694	F	35.6	Very low	35.8	Very low	218 Å²	218	142.1 Å²	142.1	96%	0.956	80%	0.801	S	S	*	*				-172.1	131.7	117.5	-98.2	-66.5	0	0	0	109.8
695	D	30.8	Very low	35.9	Very low	167 Å²	167	141.1 Å²	141.1	89%	0.893	80%	0.795	S	S	*	*			trans	-94.8	152.9	175.9	-78	-61.9	0	0	0	112
696	A	38.9	Very low	35.7	Very low	101 Å²	101	140.3 Å²	140.3	84%	0.835	79%	0.79	S	S	*	*			trans	-153.2	130.5	158.3	0	0	0	0	0	110.8
697	S	34.2	Very low	35.4	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	79%	0.79	S	S	*	*			trans	-90.8	-176	168	65.2	0	0	0	0	109.9
698	D	36.5	Very low	35.3	Very low	113 Å²	113	137.6 Å²	137.6	60%	0.604	80%	0.796	S	S	*	*			cis	-164.7	176.8	18.3	-141.8	-51.5	0	0	0	112.2
699	H	39.1	Very low	35.1	Very low	162 Å²	162	134.6 Å²	134.6	75%	0.75	79%	0.792	S	S	*	*			trans	71.3	160.7	157.7	-55.7	-13.4	0	0	0	119.7
700	T	35.3	Very low	34.8	Very low	119 Å²	119	134.4 Å²	134.4	73%	0.73	79%	0.791	S	S	*	*				-178.3	157	-58.1	-93	0	0	0	0	109.9
701	T	37.5	Very low	34.5	Very low	137 Å²	137	136.4 Å²	136.4	84%	0.84	79%	0.789	S	S	*	*			trans	88.2	137.2	172.6	-28.3	0	0	0	0	116.8
702	G	31.8	Very low	34.2	Very low	62 Å²	62	135.9 Å²	135.9	64%	0.639	79%	0.786	S	S	*	*			cis	148.6	91.3	-18.7	0	0	0	0	0	117.8
703	T	36.3	Very low	34	Very low	136 Å²	136	138 Å²	138	83%	0.834	78%	0.783	S	S	*	*			trans	-153.7	126.9	161.4	17.5	0	0	0	0	108.1
704	R	37	Very low	33.8	Very low	223 Å²	223	138.7 Å²	138.7	84%	0.842	79%	0.79	S	S	*	*				68.8	133.2	50	-76.8	-154.1	177.3	-145.3	4.8	114.2
705	I	33.8	Very low	33.7	Very low	126 Å²	126	133.2 Å²	133.2	65%	0.646	78%	0.779	S	S	*	*			cis	-154	152	-24.4	-69.9	176.6	0	0	0	104.8
706	I	35	Very low	33.6	Very low	165 Å²	165	130.8 Å²	130.8	85%	0.846	78%	0.775	S	S	*	*			trans	164.4	138.9	134.2	-84.8	162.6	0	0	0	109.8
707	S	29.6	Very low	33.4	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	78%	0.776	S	S	*	*			trans	-132.3	152.3	-175.5	42.4	0	0	0	0	111.3
708	S	33.3	Very low	33.2	Very low	118 Å²	118	136 Å²	136	83%	0.825	78%	0.781	S	S	*	*			trans	-145.1	146.7	168.9	-75.6	0	0	0	0	110.1
709	P	35.8	Very low	33.1	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	79%	0.789	S	S	*	*			trans	-109.4	161	-160.3	40.2	-34.9	0	0	0	116.5
710	Q	29.3	Very low	32.8	Very low	183 Å²	183	136 Å²	136	86%	0.855	80%	0.795	S	S	*	*			trans	13	135.3	150.8	-63.3	177.8	-54.1	0	0	120.7
711	Q	32.2	Very low	32.8	Very low	171 Å²	171	136.2 Å²	136.2	80%	0.799	80%	0.796	S	S	*	*			trans	-149.7	140.5	131.8	-119.9	160.6	95.4	0	0	111
712	S	30	Very low	32.8	Very low	113 Å²	113	135 Å²	135	79%	0.79	79%	0.79	S	S	*	*			trans	-125.1	130.3	179.2	59.4	0	0	0	0	110.2
713	F	31.8	Very low	33	Very low	188 Å²	188	142.3 Å²	142.3	83%	0.825	80%	0.8	S	S	*	*			trans	-114.2	122.8	172.9	-74.3	-83.8	0	0	0	110.6
714	G	27.1	Very low	33	Very low	80 Å²	80	140.8 Å²	140.8	83%	0.825	80%	0.795	S	S	*	*			trans	-119.6	133.5	163.8	0	0	0	0	0	108.9
715	S	32.6	Very low	33.1	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	79%	0.792	S	S	*	*			trans	-131.1	99.5	-178.1	48	0	0	0	0	111
716	S	29.9	Very low	33.2	Very low	117 Å²	117	138.6 Å²	138.6	82%	0.818	80%	0.8	S	S	*	*			trans	-88.5	117.8	170	53	0	0	0	0	110.3
717	F	34.1	Very low	33.3	Very low	197 Å²	197	140.4 Å²	140.4	86%	0.864	80%	0.802	S	S	*	*			trans	-102.9	117.5	171	-80.3	-84.2	0	0	0	111
718	S	29.5	Very low	33.8	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	80%	0.804	S	S	*	*			trans	-118.7	118.1	165.6	-68.7	0	0	0	0	108.4
719	S	34.3	Very low	33.8	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	80%	0.798	S	S	*	*			trans	-116.6	88.5	179.3	57	0	0	0	0	110.7
720	N	32	Very low	34.3	Very low	164 Å²	164	142.2 Å²	142.2	88%	0.877	80%	0.803	S	S	*	*			trans	-76	127.8	165.2	-78.8	-18.4	0	0	0	109.4
721	V	36.2	Very low	34.6	Very low	124 Å²	124	141.2 Å²	141.2	75%	0.752	80%	0.804	S	S	*	*			trans	-125.4	111	172.6	-176.8	0	0	0	0	108.8
722	P	37.1	Very low	35.3	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	81%	0.808	S	S	*	*			trans	-80.3	128.8	175.5	31.6	-31.9	0	0	0	110.4	S724	P722-S724 PolarHBondContact O-N 2.73Å
723	Y	36.3	Very low	35.5	Very low	216 Å²	216	139.6 Å²	139.6	85%	0.847	81%	0.805	S	S	*	*			trans	-91.5	99.4	177.3	-144.8	-79.1	0	0	0	110.5
724	S	37.2	Very low	36	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	81%	0.81	S	S	*	*			trans	-84.9	134.7	171.1	-63.4	0	0	0	0	110.6	P722	P722-S724 PolarHBondContact O-N 2.73Å
725	T	37.8	Very low	36.4	Very low	127 Å²	127	147.6 Å²	147.6	78%	0.779	81%	0.81	S	S	*	*			trans	-103.7	105.6	-177.9	-55.6	0	0	0	0	110.6
726	E	36.4	Very low	37.2	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-103.6	132.8	167.5	-66	-160.2	148.2	0	0	111.4
727	K	37.2	Very low	37.5	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.3	119.7	164.9	-82.6	-173.8	172.8	-175.3	0	108.5
728	L	39.8	Very low	37.9	Very low	155 Å²	155	143.5 Å²	143.5	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-96.4	131.5	155.8	-123	73.3	0	0	0	109.3
729	G	33.3	Very low	38.4	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	79%	0.794	S	S	*	*			trans	-122.3	144.1	165.6	0	0	0	0	0	108.7
730	N	46.4	Very low	38.6	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	79%	0.791	S	S	*	*			trans	-128.6	121.4	174.1	-88	-17.8	0	0	0	109.2
731	D	36	Very low	39	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	79%	0.787	S	S	*	*			trans	-77.5	144.9	171.5	-75.2	-67	0	0	0	111.8
732	V	46.2	Very low	39.3	Very low	147 Å²	147	143.6 Å²	143.6	89%	0.891	79%	0.789	S	S	*	*			trans	-135.4	124.9	150.2	-178.4	0	0	0	0	108.7
733	S	35.5	Very low	39.3	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	79%	0.789	S	S	*	*			trans	-94	150.5	-170.7	177.7	0	0	0	0	113.7
734	R	42.4	Very low	40	Very low	249 Å²	249	137 Å²	137	94%	0.94	79%	0.785	S	S	*	*			trans	-160.6	144.4	148.1	-107.4	164.5	-133.5	-147.4	2.9	111.5
735	K	34.8	Very low	40.4	Very low	187 Å²	187	139.9 Å²	139.9	81%	0.813	79%	0.793	S	S	*	*			trans	-140.5	150.4	179.4	-127.3	-177.8	-175.8	-178.6	0	109.2
736	P	48.2	Very low	40.6	Very low	115 Å²	115	143 Å²	143	75%	0.747	79%	0.79	S	S	*	*				-133.3	158.4	104.2	16.9	5	0	0	0	111.5
737	T	37.8	Very low	41.3	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	79%	0.79	S	S	*	*			cis	72.2	126.4	49.9	-42.6	0	0	0	0	112
738	S	40.7	Very low	41.6	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	78%	0.775	S	S	*	*			cis	-118.4	-141	7	51.6	0	0	0	0	111.7
739	Q	41.7	Very low	42.3	Very low	162 Å²	162	134.7 Å²	134.7	76%	0.757	77%	0.773	S	S	*	*			cis	-147.1	-132.5	3.6	-167	85.5	-9	0	0	110.4
740	T	38.2	Very low	43	Very low	114 Å²	114	136.9 Å²	136.9	70%	0.699	77%	0.774	S	S	*	*			trans	-155.5	156.8	-166.3	49	0	0	0	0	109.2
741	T	41	Very low	42.8	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	78%	0.775	S	S	*	*				-167.5	173.8	69.5	43.2	0	0	0	0	114.8
742	S	40.8	Very low	43	Very low	114 Å²	114	139.4 Å²	139.4	80%	0.797	78%	0.777	S	S	*	*			trans	-40.3	163.2	172.8	47.8	0	0	0	0	119.1
743	G	37.7	Very low	42.6	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	78%	0.775	S	S	*	*			cis	100.9	156.4	12.8	0	0	0	0	0	113.5
744	P	51.4	Low	42.8	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	78%	0.779	S	S	*	*			cis	-133.2	-174.8	-11.7	44.1	-27.3	0	0	0	114.8
745	D	45.3	Very low	42.6	Very low	164 Å²	164	136.2 Å²	136.2	88%	0.877	77%	0.774	S	S	*	*			trans	172.9	153.1	131.5	-97.8	-14.2	0	0	0	115
746	R	42.4	Very low	42.8	Very low	193 Å²	193	135.4 Å²	135.4	73%	0.728	78%	0.777	S	S	*	*			trans	-165.2	146.7	-176.1	-168.5	-174.4	177.2	-109.6	-7.4	112	D748	R746-D748 IonicContact CZ-OD1 2.71Å; R746-D748 VanDerWaalsContact CZ-OD1 3.24Å; R746-D748 IonicContact NH1-OD1 3.08Å; R746-D748 PolarHBondContact NH1-OD1 3.04Å; R746-D748 IonicContact NH2-OD1 3.89Å; R746-D748 PolarHBondContact NH2-OD1 3.08Å; R746-D748 VanDerWaalsContact NH2-OD1 3.07Å
747	P	50.5	Low	42.4	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	78%	0.783	S	S	*	*				-150.8	-170.3	120.9	39.4	-23.2	0	0	0	113.9
748	D	44.2	Very low	42.6	Very low	108 Å²	108	140.7 Å²	140.7	58%	0.578	78%	0.782	S	S	*	*				-160.3	140.3	-71	-169.8	42.2	0	0	0	110.3	R746	R746-D748 IonicContact CZ-OD1 2.71Å; R746-D748 VanDerWaalsContact CZ-OD1 3.24Å; R746-D748 IonicContact NH1-OD1 3.08Å; R746-D748 PolarHBondContact NH1-OD1 3.04Å; R746-D748 IonicContact NH2-OD1 3.89Å; R746-D748 PolarHBondContact NH2-OD1 3.08Å; R746-D748 VanDerWaalsContact NH2-OD1 3.07Å
749	V	54.7	Low	42.7	Very low	126 Å²	126	139.4 Å²	139.4	76%	0.764	78%	0.784	S	S	*	*			trans	-151.3	137.1	179.2	-179.4	0	0	0	0	108.9
750	P	47.5	Very low	42.8	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	78%	0.783	S	S	*	*			trans	-84.3	162.3	-154.5	31.4	-37.7	0	0	0	117.3
751	P	41.6	Very low	43	Very low	132 Å²	132	134 Å²	134	86%	0.857	77%	0.766	S	S	*	*			trans	-90.9	164.7	-168.8	36.7	-37.8	0	0	0	115.4
752	R	39.7	Very low	43.8	Very low	243 Å²	243	132.3 Å²	132.3	92%	0.917	76%	0.759	S	S	*	*			trans	-134.5	143.4	166	-154.5	171.7	-170.6	168.1	3.4	110.1
753	Q	38.7	Very low	44.8	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	75%	0.752	S	S	*	*			trans	-68.3	137.9	-163	-63.4	160.7	-64	0	0	114.7
754	T	39.4	Very low	46.1	Very low	132 Å²	132	134.9 Å²	134.9	81%	0.81	74%	0.743	S	S	*	*			trans	-133.8	104.6	159.6	43.5	0	0	0	0	109.9	L756	T754-L756 PolarHBondContact O-N 3.37Å
755	S	39.5	Very low	47	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	73%	0.732	S	S	*	*			trans	-83.8	100.4	179.1	-64.1	0	0	0	0	111.2
756	L	38.9	Very low	48.4	Very low	170 Å²	170	130.3 Å²	130.3	89%	0.89	72%	0.716	S	S	*	*			trans	-90.7	109.3	163.6	-79.6	165.4	0	0	0	109.7	T754	T754-L756 PolarHBondContact O-N 3.37Å
757	R	38.5	Very low	50.1	Low	226 Å²	226	125 Å²	125	85%	0.853	70%	0.702	S	S	*	*			trans	-120.5	113.2	161.3	-99.8	-169.4	167	-151.5	-3.7	106.6
758	T	42.2	Very low	51.4	Low	122 Å²	122	123.1 Å²	123.1	75%	0.748	69%	0.688	S	S	*	*				60.5	129.4	99.6	61.3	0	0	0	0	113.2
759	G	42.7	Very low	53	Low	66 Å²	66	122 Å²	122	68%	0.68	68%	0.68	S	S	*	*	S	Bend	trans	-63.2	174.2	-168.3	0	0	0	0	0	116	S761	G759-S761 PolarHBondContact O-N 3.22Å
760	P	44.6	Very low	54.2	Low	115 Å²	115	121.5 Å²	121.5	75%	0.747	67%	0.668	S	S	*	*			trans	-59.2	119.7	-166.8	24.4	-34.8	0	0	0	111.9
761	S	41.5	Very low	55.7	Low	48 Å²	48	120.9 Å²	120.9	34%	0.336	66%	0.658	S	S	.	*			trans	-76.1	165.6	166.5	69.3	0	0	0	0	109.9	G759 E763 D764	G759-S761 PolarHBondContact O-N 3.22Å; S761-E763 PolarHBondContact O-N 2.69Å; S761-E763 PolarHBondContact OG-OE2 2.74Å; S761-D764 PolarHBondContact O-N 2.71Å
762	S	58	Low	57.7	Low	92 Å²	92	118.7 Å²	118.7	64%	0.643	64%	0.639	S	S	*	*	H	α-helix	trans	-60	-23.8	173.7	45.5	0	0	0	0	112.9	T765 D766	S762-T765 WeakPolarHBondContact O-CB 3.16Å; S762-T765 PolarHBondContact O-N 3.27Å; S762-T765 VanDerWaalsContact O-N 3.14Å; S762-D766 PolarHBondContact O-N 2.93Å
763	E	61.2	Low	59.7	Low	137 Å²	137	115.4 Å²	115.4	64%	0.64	63%	0.626	S	S	*	*	H	α-helix	trans	-64.6	-41.6	-176.9	-60	163	120.3	0	0	112.3	S761 T765 D766 D767	S761-E763 PolarHBondContact O-N 2.69Å; S761-E763 PolarHBondContact OG-OE2 2.74Å; E763-T765 PolarHBondContact O-N 2.69Å; E763-D766 PolarHBondContact O-N 3.3Å; E763-D767 PolarHBondContact O-N 3.46Å
764	D	66.7	Low	61.7	Low	102 Å²	102	114.6 Å²	114.6	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-60	-31.9	174.6	-78.6	-26.9	0	0	0	112.1	S761 T768	S761-D764 PolarHBondContact O-N 2.71Å; D764-T768 WeakPolarHBondContact O-CB 3.31Å; D764-T768 PolarHBondContact O-N 3.23Å; D764-T768 PolarHBondContact O-OG1 2.92Å
765	T	68.5	Low	63.5	Low	88 Å²	88	112.3 Å²	112.3	54%	0.54	61%	0.606	S	S	.	*	H	α-helix	trans	-75.3	-43.1	178.7	-54.6	0	0	0	0	110.7	S762 E763 T768 M769	S762-T765 WeakPolarHBondContact O-CB 3.16Å; S762-T765 PolarHBondContact O-N 3.27Å; S762-T765 VanDerWaalsContact O-N 3.14Å; E763-T765 PolarHBondContact O-N 2.69Å; T765-T768 PolarHBondContact O-N 2.83Å; T765-M769 WeakPolarHBondContact O-CB 3.38Å; T765-M769 WeakPolarHBondContact O-CG 3.22Å; T765-M769 PolarHBondContact O-N 3.24Å
766	D	74.9	Confident	65.1	Low	98 Å²	98	112.5 Å²	112.5	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-65.5	-40.7	175.5	-94.9	-25.2	0	0	0	112.4	S762 E763 M769 K770	S762-D766 PolarHBondContact O-N 2.93Å; E763-D766 PolarHBondContact O-N 3.3Å; D766-M769 CarbonylContact O-C 3.53Å; D766-M769 PolarHBondContact O-N 3.26Å; D766-K770 VanDerWaalsContact O-CG 3.31Å; D766-K770 WeakPolarHBondContact O-CG 3.44Å; D766-K770 PolarHBondContact O-N 3.26Å
767	D	79.8	Confident	66.9	Low	82 Å²	82	107.6 Å²	107.6	44%	0.439	58%	0.576	S	S	.	*	H	α-helix	trans	-70.7	-33.3	176	-90.7	16.9	0	0	0	112.2	E763 M769 K770 N771	E763-D767 PolarHBondContact O-N 3.46Å; D767-M769 VanDerWaalsContact C-N 3.34Å; D767-K770 PolarHBondContact O-N 2.9Å; D767-K770 WeakPolarHBondContact OD1-CD 3.35Å; D767-K770 WeakPolarHBondContact OD1-CE 3.48Å; D767-K770 IonicContact OD1-NZ 2.68Å; D767-K770 PolarHBondContact OD1-NZ 2.8Å; D767-N771 WeakPolarHBondContact O-CB 3.32Å; D767-N771 PolarHBondContact O-N 3.34Å; D767-N771 PolarHBondContact O-ND2 2.91Å
768	T	77.6	Confident	68.5	Low	84 Å²	84	98.5 Å²	98.5	52%	0.515	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-44.2	167.9	-61.6	0	0	0	0	111	D764 T765 N771 L772	D764-T768 WeakPolarHBondContact O-CB 3.31Å; D764-T768 PolarHBondContact O-N 3.23Å; D764-T768 PolarHBondContact O-OG1 2.92Å; T765-T768 PolarHBondContact O-N 2.83Å; T768-N771 PolarHBondContact O-N 2.74Å; T768-L772 HydrophobicContact CG2-CD1 4.27Å; T768-L772 WeakPolarHBondContact O-CG 3.43Å; T768-L772 PolarHBondContact O-N 2.81Å
769	M	77.9	Confident	69.8	Low	84 Å²	84	97.4 Å²	97.4	41%	0.414	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-38.3	177.9	-76	-70.7	-79	0	0	113.2	T765 D766 D767 R773	T765-M769 WeakPolarHBondContact O-CB 3.38Å; T765-M769 WeakPolarHBondContact O-CG 3.22Å; T765-M769 PolarHBondContact O-N 3.24Å; D766-M769 CarbonylContact O-C 3.53Å; D766-M769 PolarHBondContact O-N 3.26Å; D767-M769 VanDerWaalsContact C-N 3.34Å; M769-R773 WeakPolarHBondContact O-CB 3.22Å; M769-R773 VanDerWaalsContact O-CG 3.27Å; M769-R773 WeakPolarHBondContact O-CG 3.27Å; M769-R773 PolarHBondContact O-N 3.05Å
770	K	80	Confident	71.1	Confident	117 Å²	117	100.9 Å²	100.9	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-45.4	172.3	-72.8	171.2	-153.7	156	0	111.1	D766 D767 R773 K774	D766-K770 VanDerWaalsContact O-CG 3.31Å; D766-K770 WeakPolarHBondContact O-CG 3.44Å; D766-K770 PolarHBondContact O-N 3.26Å; D767-K770 PolarHBondContact O-N 2.9Å; D767-K770 WeakPolarHBondContact OD1-CD 3.35Å; D767-K770 WeakPolarHBondContact OD1-CE 3.48Å; D767-K770 IonicContact OD1-NZ 2.68Å; D767-K770 PolarHBondContact OD1-NZ 2.8Å; K770-R773 PolarHBondContact O-N 3.29Å; K770-K774 WeakPolarHBondContact O-CB 3.32Å; K770-K774 PolarHBondContact O-N 3.46Å
771	N	79.1	Confident	72	Confident	100 Å²	100	98 Å²	98	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-45	178.7	-78	-54.3	0	0	0	111.5	D767 T768 K774 T775	D767-N771 WeakPolarHBondContact O-CB 3.32Å; D767-N771 PolarHBondContact O-N 3.34Å; D767-N771 PolarHBondContact O-ND2 2.91Å; T768-N771 PolarHBondContact O-N 2.74Å; N771-K774 PolarHBondContact O-N 3.45Å; N771-T775 PolarHBondContact O-N 3.31Å; N771-T775 PolarHBondContact O-OG1 3.06Å; N771-T775 VanDerWaalsContact O-OG1 3.1Å
772	L	81.9	Confident	72.8	Confident	86 Å²	86	103.3 Å²	103.3	45%	0.45	55%	0.554	S	S	.	*	H	α-helix	trans	-59.1	-47.9	173.1	-74.6	169.4	0	0	0	112.2	T768 K774 T775 F776	T768-L772 HydrophobicContact CG2-CD1 4.27Å; T768-L772 WeakPolarHBondContact O-CG 3.43Å; T768-L772 PolarHBondContact O-N 2.81Å; L772-K774 VanDerWaalsContact C-N 3.29Å; L772-K774 PolarHBondContact O-N 2.85Å; L772-T775 PolarHBondContact O-N 2.95Å; L772-F776 VanDerWaalsContact O-CD2 3.25Å; L772-F776 WeakPolarHBondContact O-CD2 3.11Å; L772-F776 PolarHBondContact O-N 3.21Å
773	R	81.5	Confident	72.6	Confident	175 Å²	175	107.6 Å²	107.6	66%	0.66	57%	0.568	S	S	*	*	H	α-helix	trans	-57.8	-40.9	175.6	-75.5	174.2	-179.1	177.5	2.9	111.9	M769 K770 F776 A777	M769-R773 WeakPolarHBondContact O-CB 3.22Å; M769-R773 VanDerWaalsContact O-CG 3.27Å; M769-R773 WeakPolarHBondContact O-CG 3.27Å; M769-R773 PolarHBondContact O-N 3.05Å; K770-R773 PolarHBondContact O-N 3.29Å; R773-F776 PolarHBondContact O-N 3.48Å; R773-A777 VanDerWaalsContact O-CB 3.25Å; R773-A777 WeakPolarHBondContact O-CB 3.43Å; R773-A777 PolarHBondContact O-N 2.96Å
774	K	80.5	Confident	73.1	Confident	165 Å²	165	106.2 Å²	106.2	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-68.1	-37	177.3	-167.3	173.6	-177.2	178.5	0	112.4	K770 N771 L772 G778	K770-K774 WeakPolarHBondContact O-CB 3.32Å; K770-K774 PolarHBondContact O-N 3.46Å; N771-K774 PolarHBondContact O-N 3.45Å; L772-K774 VanDerWaalsContact C-N 3.29Å; L772-K774 PolarHBondContact O-N 2.85Å; K774-G778 PolarHBondContact O-N 3.25Å
775	T	78	Confident	73.5	Confident	84 Å²	84	106.4 Å²	106.4	52%	0.515	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-46	173.1	-56.7	0	0	0	0	111.7	N771 L772 G778 I779	N771-T775 PolarHBondContact O-N 3.31Å; N771-T775 PolarHBondContact O-OG1 3.06Å; N771-T775 VanDerWaalsContact O-OG1 3.1Å; L772-T775 PolarHBondContact O-N 2.95Å; T775-G778 PolarHBondContact O-N 2.97Å; T775-I779 HydrophobicContact CG2-CD1 3.94Å; T775-I779 WeakPolarHBondContact O-CG1 3.08Å; T775-I779 PolarHBondContact O-N 2.55Å; T775-I779 VanDerWaalsContact O-N 3.1Å
776	F	73	Confident	73.7	Confident	122 Å²	122	107.4 Å²	107.4	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-65	-39.8	176	-78.7	-66.6	0	0	0	112.5	L772 R773 G778 I779 F780	L772-F776 VanDerWaalsContact O-CD2 3.25Å; L772-F776 WeakPolarHBondContact O-CD2 3.11Å; L772-F776 PolarHBondContact O-N 3.21Å; R773-F776 PolarHBondContact O-N 3.48Å; F776-G778 VanDerWaalsContact C-N 3.28Å; F776-G778 PolarHBondContact O-N 2.67Å; F776-I779 PolarHBondContact O-N 3.45Å; F776-F780 HydrophobicContact CD1-CE2 4.19Å; F776-F780 WeakPolarHBondContact O-CD2 3.34Å; F776-F780 PolarHBondContact O-N 3.15Å
777	A	76.2	Confident	73.7	Confident	66 Å²	66	107.9 Å²	107.9	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-65.5	-27.8	175.7	0	0	0	0	0	113.4	R773 G781	R773-A777 VanDerWaalsContact O-CB 3.25Å; R773-A777 WeakPolarHBondContact O-CB 3.43Å; R773-A777 PolarHBondContact O-N 2.96Å; A777-G781 WeakPolarHBondContact O-CA 3.49Å; A777-G781 PolarHBondContact O-N 3.3Å
778	G	72	Confident	73.3	Confident	35 Å²	35	109.6 Å²	109.6	36%	0.361	58%	0.578	S	S	.	*	H	α-helix	trans	-70.5	-49.4	168.9	0	0	0	0	0	112	K774 T775 F776 F780 G781 D782	K774-G778 PolarHBondContact O-N 3.25Å; T775-G778 PolarHBondContact O-N 2.97Å; F776-G778 VanDerWaalsContact C-N 3.28Å; F776-G778 PolarHBondContact O-N 2.67Å; G778-F780 VanDerWaalsContact C-N 3.27Å; G778-F780 PolarHBondContact O-N 3.46Å; G778-G781 PolarHBondContact O-N 3.07Å; G778-G781 VanDerWaalsContact O-N 3.16Å; G778-D782 PolarHBondContact O-N 2.74Å
779	I	70.4	Confident	73	Confident	99 Å²	99	111.3 Å²	111.3	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-62.8	-31.2	-177.1	-66.6	165.8	0	0	0	112.9	T775 F776	T775-I779 HydrophobicContact CG2-CD1 3.94Å; T775-I779 WeakPolarHBondContact O-CG1 3.08Å; T775-I779 PolarHBondContact O-N 2.55Å; T775-I779 VanDerWaalsContact O-N 3.1Å; F776-I779 PolarHBondContact O-N 3.45Å
780	F	69.1	Low	72.7	Confident	139 Å²	139	113.2 Å²	113.2	61%	0.61	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	9.2	177.2	-67	-72.5	0	0	0	113.9	F776 G778 L783	F776-F780 HydrophobicContact CD1-CE2 4.19Å; F776-F780 WeakPolarHBondContact O-CD2 3.34Å; F776-F780 PolarHBondContact O-N 3.15Å; G778-F780 VanDerWaalsContact C-N 3.27Å; G778-F780 PolarHBondContact O-N 3.46Å; F780-L783 HydrophobicContact CD1-CD1 4.18Å; F780-L783 HydrophobicContact CE1-CD1 4.45Å
781	G	65.1	Low	72.1	Confident	55 Å²	55	112.9 Å²	112.9	57%	0.567	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-25.3	172.6	0	0	0	0	0	113.1	A777 G778 L783	A777-G781 WeakPolarHBondContact O-CA 3.49Å; A777-G781 PolarHBondContact O-N 3.3Å; G778-G781 PolarHBondContact O-N 3.07Å; G778-G781 VanDerWaalsContact O-N 3.16Å; G781-L783 VanDerWaalsContact C-N 3.32Å
782	D	58.2	Low	71.5	Confident	160 Å²	160	114 Å²	114	86%	0.856	61%	0.606	S	S	*	*			trans	-94	23.5	175.1	-64.1	-26.8	0	0	0	112.3	G778	G778-D782 PolarHBondContact O-N 2.74Å
783	L	52.3	Low	70.6	Confident	182 Å²	182	116.5 Å²	116.5	95%	0.953	62%	0.621	S	S	*	*			trans	-136.4	0	-168.6	-140.7	175.2	0	0	0	112.2	F780 G781	F780-L783 HydrophobicContact CD1-CD1 4.18Å; F780-L783 HydrophobicContact CE1-CD1 4.45Å; G781-L783 VanDerWaalsContact C-N 3.32Å

Retrieved 783 of 783 residues in 1111.9 ms (Link to these results)

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