A0A096MUZ6_PAPAN Loading...

Synapsin-2

Neuronal phosphoprotein that coats synaptic vesicles, binds to the cytoskeleton, and is believed to function in the regulation of neurotransmitter release. May play a role in noradrenaline secretion by sympathetic neurons.

AlphaFold DB , UniProt , Accession A0A096MUZ6, Species PAPAN (Papio anubis, Olive baboon), Gene SYN2, Length 584 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	46.4	Very low	41.1	Very low	212 Å²	212	164.3 Å²	164.3	100%	1.044	77%	0.768	S	S	*	*				0	-53.5	0	-149.5	130.8	178.3	0	0	113.3	N3 F4	M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.36Å; M1-N3 VanDerWaalsContact O-N 3.08Å; M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.94Å
2	M	35.3	Very low	41.6	Very low	163 Å²	163	159.8 Å²	159.8	80%	0.803	77%	0.769	S	S	*	*	H	α-helix	trans	-48.3	-39.2	-172.2	-70.5	166.2	169.1	0	0	116.5	F4 L5 R6	M2-F4 PolarHBondContact O-N 3.05Å; M2-F4 VanDerWaalsContact O-N 3.12Å; M2-L5 PolarHBondContact O-N 3.23Å; M2-L5 VanDerWaalsContact O-N 3.09Å; M2-R6 PolarHBondContact O-N 3.06Å
3	N	37.6	Very low	41.7	Very low	133 Å²	133	154.4 Å²	154.4	71%	0.711	76%	0.757	S	S	*	*	H	α-helix	trans	-63	-19.1	-179.9	-66.9	-2.7	0	0	0	114.3	M1	M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.36Å; M1-N3 VanDerWaalsContact O-N 3.08Å
4	F	38.4	Very low	42	Very low	185 Å²	185	155.9 Å²	155.9	81%	0.811	76%	0.758	S	S	*	*	H	α-helix	trans	-79	-28.6	176.1	-124.8	-89.2	0	0	0	112.8	M1 M2	M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.94Å; M2-F4 PolarHBondContact O-N 3.05Å; M2-F4 VanDerWaalsContact O-N 3.12Å
5	L	37.7	Very low	42.4	Very low	113 Å²	113	154.7 Å²	154.7	59%	0.592	76%	0.755	S	S	*	*	H	α-helix	trans	-77.5	-43	175.8	-80	72.3	0	0	0	110.7	M2 R7 R8	M2-L5 PolarHBondContact O-N 3.23Å; M2-L5 VanDerWaalsContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 2.94Å; L5-R7 VanDerWaalsContact O-N 3.14Å; L5-R8 PolarHBondContact O-N 2.91Å
6	R	42.4	Very low	42.5	Very low	205 Å²	205	150.3 Å²	150.3	77%	0.774	75%	0.751	S	S	*	*	H	α-helix	trans	-56.6	-32.7	-177.8	-130.5	178.1	-170.3	169	3.5	113	M2 S10	M2-R6 PolarHBondContact O-N 3.06Å; R6-S10 PolarHBondContact O-OG 2.81Å
7	R	43.1	Very low	42.4	Very low	218 Å²	218	149.6 Å²	149.6	82%	0.823	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-7.6	-179.7	-165.2	169.6	178.8	173.5	-0.3	114.4	L5	L5-R7 PolarHBondContact O-N 2.94Å; L5-R7 VanDerWaalsContact O-N 3.14Å
8	R	49.1	Very low	42.5	Very low	210 Å²	210	147.6 Å²	147.6	79%	0.792	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	3.5	-178.2	-137.3	-174.9	-167.3	-165.7	4	114.1	L5	L5-R8 PolarHBondContact O-N 2.91Å
9	L	43.9	Very low	42.4	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	74%	0.738	S	S	*	*	S	Bend	trans	-116.7	16.4	178.6	-64.1	174.8	0	0	0	112.1
10	S	42.3	Very low	42.2	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	75%	0.748	S	S	*	*			trans	-111.1	1.7	-179.8	-52.9	0	0	0	0	113.7	R6 S12	R6-S10 PolarHBondContact O-OG 2.81Å; S10-S12 PolarHBondContact O-N 2.92Å
11	D	35.8	Very low	42.4	Very low	122 Å²	122	141.9 Å²	141.9	65%	0.652	73%	0.734	S	S	*	*			trans	-79.8	116.7	175.9	-71.5	-47.4	0	0	0	110.2	S13	D11-S13 PolarHBondContact O-N 3.48Å
12	S	47.3	Very low	42.1	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	24.5	-169.2	-51.9	0	0	0	0	115.9	S10	S10-S12 PolarHBondContact O-N 2.92Å
13	S	43.3	Very low	42.5	Very low	89 Å²	89	141.1 Å²	141.1	62%	0.622	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-19	-174.9	-47.9	0	0	0	0	114.4	D11	D11-S13 PolarHBondContact O-N 3.48Å
14	F	45.3	Very low	42.6	Very low	175 Å²	175	140.1 Å²	140.1	77%	0.768	72%	0.72	S	S	*	*	S	Bend	trans	-77.5	-39.6	-172.3	-171.5	-104.1	0	0	0	113.6	A16	F14-A16 VanDerWaalsContact C-N 3.27Å; F14-A16 PolarHBondContact O-N 3.28Å
15	I	48.2	Very low	42.8	Very low	138 Å²	138	138.3 Å²	138.3	71%	0.708	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-69.6	-25.3	-174.7	-66.5	170.9	0	0	0	112	N17	I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 2.99Å
16	A	44	Very low	42.7	Very low	84 Å²	84	139.3 Å²	139.3	69%	0.694	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-75.6	-2.7	-174.6	0	0	0	0	0	115.7	F14	F14-A16 VanDerWaalsContact C-N 3.27Å; F14-A16 PolarHBondContact O-N 3.28Å
17	N	40.8	Very low	42.4	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-118.4	17.7	-174.1	-79.3	-70.1	0	0	0	114.5	I15	I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 2.99Å
18	L	44.1	Very low	42	Very low	112 Å²	112	138.1 Å²	138.1	59%	0.586	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-87.7	129	173.7	-72.7	168.3	0	0	0	111
19	P	39.8	Very low	41.3	Very low	104 Å²	104	133.6 Å²	133.6	68%	0.675	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61	144.9	174.3	-24.4	34.8	0	0	0	113.2	G21	P19-G21 PolarHBondContact O-N 2.72Å
20	N	38.8	Very low	40.9	Very low	174 Å²	174	135.1 Å²	135.1	93%	0.93	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	126.9	-179.7	-75.1	-1.9	0	0	0	112.1
21	G	45.9	Very low	40.5	Very low	45 Å²	45	136.8 Å²	136.8	46%	0.464	74%	0.736	S	S	.	*	T	Hydrogen-bonded Turn	trans	145.8	-28.5	173.4	0	0	0	0	0	114.4	P19 M23 T24	P19-G21 PolarHBondContact O-N 2.72Å; G21-M23 VanDerWaalsContact C-N 3.28Å; G21-M23 PolarHBondContact O-N 3.39Å; G21-M23 VanDerWaalsContact O-N 3.13Å; G21-T24 PolarHBondContact O-N 3.45Å; G21-T24 PolarHBondContact O-OG1 3.1Å
22	Y	42.1	Very low	40.4	Very low	200 Å²	200	140.2 Å²	140.2	78%	0.784	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-5.2	-168.6	-110.1	-87	0	0	0	117.1
23	M	41.9	Very low	39.7	Very low	159 Å²	159	144 Å²	144	78%	0.783	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-23	175.6	-83.9	-74.3	-167.2	0	0	113.5	G21 D25 L26	G21-M23 VanDerWaalsContact C-N 3.28Å; G21-M23 PolarHBondContact O-N 3.39Å; G21-M23 VanDerWaalsContact O-N 3.13Å; M23-D25 PolarHBondContact O-N 2.98Å; M23-L26 HydrophobicContact SD-CD1 4.27Å
24	T	40.8	Very low	39.4	Very low	113 Å²	113	145.4 Å²	145.4	69%	0.693	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-19.1	-161	-3.3	0	0	0	0	115.4	G21	G21-T24 PolarHBondContact O-N 3.45Å; G21-T24 PolarHBondContact O-OG1 3.1Å
25	D	41.3	Very low	39.3	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-3.8	-179.8	-79.3	-45.6	0	0	0	114.2	M23 Q27	M23-D25 PolarHBondContact O-N 2.98Å; D25-Q27 PolarHBondContact O-N 3.28Å; D25-Q27 VanDerWaalsContact O-N 3.11Å
26	L	36.7	Very low	39.1	Very low	134 Å²	134	141.9 Å²	141.9	70%	0.702	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	7.6	-175.3	-71.1	169.9	0	0	0	115	M23	M23-L26 HydrophobicContact SD-CD1 4.27Å
27	Q	35.8	Very low	39	Very low	178 Å²	178	143.6 Å²	143.6	83%	0.832	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	21.5	-166.4	-67.2	-174	-31	0	0	115.5	D25	D25-Q27 PolarHBondContact O-N 3.28Å; D25-Q27 VanDerWaalsContact O-N 3.11Å
28	R	34.5	Very low	39.1	Very low	221 Å²	221	143.1 Å²	143.1	83%	0.834	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-98.2	124.7	173	-174.3	172.8	-68.9	-170.1	1.5	112
29	P	35.6	Very low	38.8	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69.8	155.7	172.8	-19.6	33.1	0	0	0	114
30	E	33.8	Very low	38.9	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-80.4	146.9	178.1	-65.3	-177.9	116.2	0	0	113.6
31	P	33.7	Very low	38.5	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.2	149.1	167.6	-8	26.1	0	0	0	112.8
32	Q	34.3	Very low	37.8	Very low	194 Å²	194	141.6 Å²	141.6	91%	0.907	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.8	150.2	-179.9	-65.5	175	-35.6	0	0	113.4
33	Q	34	Very low	37.3	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87	146.6	172	-76.4	-174.8	-34.5	0	0	112.9
34	P	36.8	Very low	36.8	Very low	119 Å²	119	134.4 Å²	134.4	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.1	160.2	171.3	34.7	-35.1	0	0	0	113.2
35	P	42.8	Very low	36.4	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.3	160.4	-175.6	34.1	-37	0	0	0	114.6
36	P	43	Very low	35.9	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.4	152.9	-179.6	34.4	-35.9	0	0	0	114.2
37	P	43.4	Very low	35.6	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-84.4	160.7	173.4	34.8	-35.2	0	0	0	113.5
38	P	42.5	Very low	35.4	Very low	130 Å²	130	126.5 Å²	126.5	84%	0.844	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.8	159	-176	35.4	-36.6	0	0	0	114.4
39	G	37.8	Very low	36.5	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	82%	0.817	S	S	*	*			trans	-110.3	154	172.7	0	0	0	0	0	113.8
40	P	40.9	Very low	37.2	Very low	136 Å²	136	120.9 Å²	120.9	88%	0.883	81%	0.811	S	S	*	*			trans	-92.6	159.2	177.2	36.2	-34	0	0	0	113.9
41	G	31.7	Very low	37.2	Very low	85 Å²	85	118.3 Å²	118.3	88%	0.876	81%	0.809	S	S	*	*			trans	-92.1	-166.2	-175.7	0	0	0	0	0	116.3
42	A	31.2	Very low	37.1	Very low	109 Å²	109	117.2 Å²	117.2	90%	0.901	81%	0.81	S	S	*	*			trans	-114.1	147.3	-160.8	0	0	0	0	0	116.3
43	A	30.9	Very low	37.1	Very low	96 Å²	96	113.5 Å²	113.5	79%	0.793	81%	0.805	S	S	*	*			trans	-170.9	158.6	158.9	0	0	0	0	0	108.8
44	S	31.4	Very low	37.7	Very low	112 Å²	112	110.4 Å²	110.4	78%	0.783	80%	0.802	S	S	*	*			cis	-171	149.9	-36.8	51.4	0	0	0	0	109.2
45	A	31.8	Very low	37.4	Very low	88 Å²	88	107.8 Å²	107.8	73%	0.727	80%	0.796	S	S	*	*			trans	68.5	117.9	157.6	0	0	0	0	0	123.5
46	S	31.1	Very low	37.6	Very low	117 Å²	117	107.8 Å²	107.8	82%	0.818	80%	0.796	S	S	*	*				91	146.5	122.9	73.1	0	0	0	0	124.3
47	A	29.5	Very low	37	Very low	106 Å²	106	110.3 Å²	110.3	88%	0.876	80%	0.797	S	S	*	*			trans	83.3	145.6	157.9	0	0	0	0	0	121.7
48	A	32.9	Very low	36.6	Very low	94 Å²	94	115.6 Å²	115.6	78%	0.777	80%	0.802	S	S	*	*			trans	-165.7	172.3	174.8	0	0	0	0	0	107.1
49	P	56.4	Low	36	Very low	120 Å²	120	120.3 Å²	120.3	78%	0.779	80%	0.803	S	S	*	*			cis	-112.9	-130.8	-2	28.3	-2.7	0	0	0	108
50	P	51.8	Low	36.2	Very low	98 Å²	98	122.1 Å²	122.1	64%	0.636	80%	0.801	S	S	*	*			cis	-140.2	172.8	-13.4	43.7	-24.9	0	0	0	118.3
51	T	33.2	Very low	36.6	Very low	133 Å²	133	121.3 Å²	121.3	82%	0.816	80%	0.796	S	S	*	*			trans	37.1	116.3	147.5	56.1	0	0	0	0	122.2
52	A	31.9	Very low	37.2	Very low	101 Å²	101	123.4 Å²	123.4	84%	0.835	79%	0.794	S	S	*	*				-168.1	156.2	119.1	0	0	0	0	0	112.1
53	S	34.8	Very low	37.7	Very low	116 Å²	116	123.2 Å²	123.2	81%	0.811	79%	0.793	S	S	*	*			trans	-130.4	157.9	163.7	-52.3	0	0	0	0	108.2
54	P	45.6	Very low	38.1	Very low	126 Å²	126	124 Å²	124	82%	0.818	79%	0.792	S	S	*	*				-149.8	174.2	91.3	40.8	-24.1	0	0	0	115.5
55	G	31.5	Very low	38.5	Very low	64 Å²	64	123.3 Å²	123.3	66%	0.66	79%	0.793	S	S	*	*			trans	-82.9	-165	156.4	0	0	0	0	0	111.7
56	P	47.1	Very low	39.5	Very low	117 Å²	117	125.1 Å²	125.1	76%	0.76	80%	0.797	S	S	*	*			cis	-148.6	-174.3	38.3	41	-19.7	0	0	0	118.1
57	E	29.1	Very low	39.8	Very low	174 Å²	174	125.7 Å²	125.7	81%	0.813	80%	0.796	S	S	*	*			trans	87.5	157.7	142.3	-106	-173.5	111	0	0	124.1
58	R	36.1	Very low	41	Very low	232 Å²	232	126.6 Å²	126.6	88%	0.875	79%	0.793	S	S	*	*			trans	-108.8	150.5	-175.5	-62.1	167.6	164.4	-176.4	-5.3	110.4
59	R	30	Very low	41.2	Very low	230 Å²	230	130.9 Å²	130.9	87%	0.868	80%	0.797	S	S	*	*			trans	-155	138.4	142.3	-158.1	163.4	-81.2	-153.4	-2.8	113.4
60	P	41.8	Very low	40.9	Very low	111 Å²	111	131.3 Å²	131.3	72%	0.721	80%	0.799	S	S	*	*			trans	-91.6	-175.1	174.5	40.5	-37.4	0	0	0	112
61	P	49.5	Very low	40.1	Very low	119 Å²	119	130.9 Å²	130.9	77%	0.773	81%	0.805	S	S	*	*			trans	-96	171.4	-147.6	38.9	-39.3	0	0	0	116.9
62	P	44.3	Very low	40.7	Very low	129 Å²	129	130.9 Å²	130.9	84%	0.838	81%	0.806	S	S	*	*			trans	-95.9	162.9	169.2	38.1	-33.9	0	0	0	114
63	A	41.5	Very low	40.9	Very low	105 Å²	105	134.8 Å²	134.8	87%	0.868	81%	0.808	S	S	*	*			trans	-156	157.9	173.6	0	0	0	0	0	112.8
64	S	38.2	Very low	41.4	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	81%	0.809	S	S	*	*			trans	-164.7	122.1	170.3	47.6	0	0	0	0	108.9
65	A	40.9	Very low	40.8	Very low	97 Å²	97	133.7 Å²	133.7	80%	0.802	81%	0.805	S	S	*	*				87	149.9	52.3	0	0	0	0	0	112.9
66	P	52.4	Low	41.4	Very low	125 Å²	125	136.7 Å²	136.7	81%	0.812	81%	0.813	S	S	*	*			cis	-133.6	-163.8	15	43.3	-25	0	0	0	116.3
67	V	37.7	Very low	40.7	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	81%	0.814	S	S	*	*			trans	-139.7	158.5	178.7	-156.9	0	0	0	0	109.9
68	P	53.3	Low	41.4	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	81%	0.814	S	S	*	*				-150.7	-175.9	115.1	37.1	-17.5	0	0	0	117.1
69	Q	37.2	Very low	41	Very low	183 Å²	183	128.4 Å²	128.4	86%	0.855	80%	0.804	S	S	*	*			trans	-102.8	-164.4	-174.1	-59.1	177.8	-27.8	0	0	111.8
70	P	50.8	Low	41.2	Very low	129 Å²	129	124.6 Å²	124.6	84%	0.838	81%	0.806	S	S	*	*			cis	-141.1	-159	4.7	43.6	-20.4	0	0	0	117.5
71	A	34.2	Very low	40.7	Very low	90 Å²	90	122 Å²	122	74%	0.744	80%	0.8	S	S	*	*			trans	-102.5	175.7	-170.7	0	0	0	0	0	115.8
72	P	47	Very low	39.9	Very low	132 Å²	132	122.2 Å²	122.2	86%	0.857	80%	0.804	S	S	*	*				-153.8	-167.3	91.6	42	-21.5	0	0	0	117.8
73	Q	35.6	Very low	39.5	Very low	184 Å²	184	121.1 Å²	121.1	86%	0.86	80%	0.8	S	S	*	*			trans	-81.7	179.5	179.2	-83.1	-177.1	-8.2	0	0	114.4
74	P	45.1	Very low	39.5	Very low	128 Å²	128	125 Å²	125	83%	0.831	80%	0.798	S	S	*	*			cis	-143.9	-159.3	25.6	44.2	-21.2	0	0	0	118.1
75	A	33.7	Very low	39.6	Very low	90 Å²	90	128.2 Å²	128.2	74%	0.744	80%	0.798	S	S	*	*			trans	-104.2	175.4	-174.8	0	0	0	0	0	114.2
76	P	44.1	Very low	39.2	Very low	127 Å²	127	128.7 Å²	128.7	83%	0.825	80%	0.795	S	S	*	*				-149.8	-166.8	74.8	41.4	-20.2	0	0	0	117.3
77	T	31.4	Very low	38.2	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	80%	0.795	S	S	*	*			trans	-73.1	174.4	-177.2	46.8	0	0	0	0	115.9
78	P	43.6	Very low	38	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	80%	0.797	S	S	*	*			cis	-132.9	-150.8	18.6	40.6	-17.5	0	0	0	113.5
79	S	28.9	Very low	37.1	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	79%	0.794	S	S	*	*			cis	-164.7	159.6	7	57	0	0	0	0	113.9
80	V	33.8	Very low	36.9	Very low	150 Å²	150	129 Å²	129	91%	0.909	80%	0.795	S	S	*	*			trans	67.6	134	165.2	-168.3	0	0	0	0	116.7
81	G	31.1	Very low	36.1	Very low	58 Å²	58	127.6 Å²	127.6	60%	0.598	79%	0.794	S	S	*	*			cis	177.5	169	-6	0	0	0	0	0	114.9
82	S	32.9	Very low	36.3	Very low	122 Å²	122	130.1 Å²	130.1	85%	0.853	80%	0.8	S	S	*	*			trans	47.4	113.7	162.5	58.2	0	0	0	0	121.8
83	S	35.9	Very low	35.8	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	80%	0.802	S	S	*	*			trans	-79.1	178	140.6	-45.5	0	0	0	0	110.8
84	F	41.1	Very low	35.9	Very low	187 Å²	187	134 Å²	134	82%	0.82	80%	0.804	S	S	*	*				159.8	115	129.8	-95.7	-87.7	0	0	0	114.2
85	F	40.6	Very low	35.4	Very low	179 Å²	179	134.6 Å²	134.6	79%	0.785	81%	0.805	S	S	*	*			trans	48.5	116.2	142.3	-72.2	-111.1	0	0	0	124.9
86	S	32	Very low	35.5	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	81%	0.809	S	S	*	*				41	124.9	117.9	-47.2	0	0	0	0	125.6
87	S	31.6	Very low	35.1	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	81%	0.805	S	S	*	*			trans	87.2	164.6	138.6	-150	0	0	0	0	121.2
88	L	34.5	Very low	35.1	Very low	158 Å²	158	133 Å²	133	83%	0.827	81%	0.808	S	S	*	*			trans	72.3	146.5	-173.8	-56.4	164.3	0	0	0	114.5
89	S	34.4	Very low	34.7	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	81%	0.813	S	S	*	*			cis	-157.8	172.3	-7.2	-124.2	0	0	0	0	112.4
90	Q	32.4	Very low	35	Very low	190 Å²	190	131.6 Å²	131.6	89%	0.888	82%	0.821	S	S	*	*			trans	-76	138.7	175	-60.3	158.8	-81.3	0	0	112.8
91	A	33.2	Very low	35	Very low	98 Å²	98	132.4 Å²	132.4	81%	0.81	82%	0.819	S	S	*	*			trans	-165.5	91.6	156.8	0	0	0	0	0	114.1
92	V	38.9	Very low	35.4	Very low	143 Å²	143	135.8 Å²	135.8	87%	0.867	83%	0.828	S	S	*	*			trans	-138.5	118.2	153.4	-178.1	0	0	0	0	108.9
93	K	35.9	Very low	35.5	Very low	206 Å²	206	137.7 Å²	137.7	90%	0.896	83%	0.828	S	S	*	*			trans	-107	131.4	161.6	-79.5	-176.8	174.8	179.8	0	107.9
94	Q	39	Very low	35.7	Very low	192 Å²	192	136.1 Å²	136.1	90%	0.897	82%	0.822	S	S	*	*			trans	-147	154.4	154.4	-117.2	175.9	6.1	0	0	110.5
95	T	33.8	Very low	35.5	Very low	140 Å²	140	133 Å²	133	86%	0.859	82%	0.821	S	S	*	*			trans	-104.4	132.2	-158.9	-54.1	0	0	0	0	111.9
96	A	35.6	Very low	35.5	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	82%	0.817	S	S	*	*			trans	-139.9	151.4	159.9	0	0	0	0	0	108.4
97	A	35.7	Very low	36.1	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	82%	0.82	S	S	*	*			trans	-116.6	146.8	-159.2	0	0	0	0	0	115.2
98	S	32.2	Very low	36.6	Very low	124 Å²	124	128 Å²	128	87%	0.867	82%	0.815	S	S	*	*			trans	48.1	97	142.3	-54.9	0	0	0	0	120.2
99	A	35	Very low	37.2	Very low	108 Å²	108	126.6 Å²	126.6	89%	0.893	82%	0.815	S	S	*	*			trans	-142.3	122.2	136.8	0	0	0	0	0	108.2
100	G	36.2	Very low	37.8	Very low	82 Å²	82	125.3 Å²	125.3	85%	0.845	81%	0.811	S	S	*	*			trans	-92.9	133.3	-172.5	0	0	0	0	0	113.2
101	L	33.4	Very low	38.7	Very low	168 Å²	168	120.4 Å²	120.4	88%	0.88	80%	0.803	S	S	*	*			trans	-146	149.5	164.2	-104	165	0	0	0	109.3
102	V	38.7	Very low	39.8	Very low	129 Å²	129	120.4 Å²	120.4	78%	0.782	80%	0.803	S	S	*	*			trans	-39.5	137.9	-168.4	-71.4	0	0	0	0	116.9	A104	V102-A104 PolarHBondContact O-N 2.88Å
103	D	34.7	Very low	41	Very low	161 Å²	161	122.6 Å²	122.6	86%	0.861	80%	0.796	S	S	*	*			trans	-71.5	93.4	175.5	-171.1	14.7	0	0	0	110.9
104	A	40	Very low	43.4	Very low	75 Å²	75	117.9 Å²	117.9	62%	0.62	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-90.9	125	168.4	0	0	0	0	0	108.6	V102 A106	V102-A104 PolarHBondContact O-N 2.88Å; A104-A106 PolarHBondContact O-N 2.65Å
105	P	37.8	Very low	46.1	Very low	122 Å²	122	110.8 Å²	110.8	79%	0.792	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.5	117	-175.5	24	-33.6	0	0	0	110.1
106	A	41.5	Very low	49.1	Very low	85 Å²	85	106.1 Å²	106.1	70%	0.702	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.8	179.4	0	0	0	0	0	110	A104 A108	A104-A106 PolarHBondContact O-N 2.65Å; A106-A108 PolarHBondContact O-N 2.91Å
107	P	43.7	Very low	52.1	Low	126 Å²	126	102.5 Å²	102.5	82%	0.818	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-59	119.5	-179.9	24.3	-33.3	0	0	0	108.8
108	A	42.6	Very low	55.1	Low	85 Å²	85	98.3 Å²	98.3	70%	0.702	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-51.6	139.5	-178.7	0	0	0	0	0	110.1	A106 A110	A106-A108 PolarHBondContact O-N 2.91Å; A108-A110 PolarHBondContact O-N 2.8Å
109	P	46.1	Very low	58.2	Low	128 Å²	128	92.4 Å²	92.4	83%	0.831	61%	0.609	S	S	*	*			trans	-54.7	115.4	-177.1	22.9	-33.6	0	0	0	108.6	A111	P109-A111 PolarHBondContact O-N 3.08Å
110	A	46.6	Very low	61.3	Low	80 Å²	80	87.2 Å²	87.2	66%	0.661	57%	0.566	S	S	*	*			trans	-55.7	110.6	-165.4	0	0	0	0	0	109.8	A108 A112	A108-A110 PolarHBondContact O-N 2.8Å; A110-A112 PolarHBondContact O-N 3.09Å; A110-A112 VanDerWaalsContact O-N 3.07Å
111	A	51.6	Low	64.3	Low	88 Å²	88	83.3 Å²	83.3	73%	0.727	53%	0.526	S	S	*	.			trans	-48.8	120.6	-175.3	0	0	0	0	0	108.8	P109 R113	P109-A111 PolarHBondContact O-N 3.08Å; A111-R113 WeakPolarHBondContact O-CA 3.4Å; A111-R113 PolarHBondContact O-N 3.32Å
112	A	56.2	Low	67.3	Low	97 Å²	97	75.9 Å²	75.9	80%	0.802	49%	0.487	S	S	*	.			trans	-49.2	106.7	-163.5	0	0	0	0	0	109.9	A110 K114	A110-A112 PolarHBondContact O-N 3.09Å; A110-A112 VanDerWaalsContact O-N 3.07Å; A112-K114 PolarHBondContact O-N 2.97Å
113	R	64	Low	70	Confident	189 Å²	189	74 Å²	74	71%	0.713	47%	0.47	S	S	*	.			trans	-61.6	114.9	-162.2	-65.9	-167.8	-167.4	164.4	2.8	108.7	A111 A115 D142	A111-R113 WeakPolarHBondContact O-CA 3.4Å; A111-R113 PolarHBondContact O-N 3.32Å; R113-A115 PolarHBondContact O-N 2.92Å; R113-A115 VanDerWaalsContact O-N 3.07Å; R113-D142 WeakPolarHBondContact CD-OD2 3.35Å
114	K	87.8	Confident	72.7	Confident	107 Å²	107	71.2 Å²	71.2	47%	0.465	46%	0.461	S	S	.	.			trans	-55.5	119	174.7	-59.2	-178.3	-164.4	152.4	0	107	A112 D140 Y141 D142	A112-K114 PolarHBondContact O-N 2.97Å; K114-D140 IonicContact NZ-OD1 3.45Å; K114-D140 PolarHBondContact NZ-OD1 2.86Å; K114-D140 IonicContact NZ-OD2 2.72Å; K114-D140 PolarHBondContact NZ-OD2 3.07Å; K114-Y141 HydrophobicContact CB-CD1 3.56Å; K114-Y141 HydrophobicContact CB-CD2 4.49Å; K114-Y141 HydrophobicContact CB-CE1 3.71Å; K114-Y141 HydrophobicContact CB-CG 3.97Å; K114-Y141 HydrophobicContact CD-CD2 4.48Å; K114-Y141 HydrophobicContact CD-CE1 4.07Å; K114-Y141 HydrophobicContact CD-CE2 4.01Å; K114-Y141 HydrophobicContact CG-CE1 4.37Å; K114-Y141 CarbonylContact O-C 3.47Å; K114-Y141 VanDerWaalsContact O-CA 3.27Å; K114-Y141 WeakPolarHBondContact O-CA 3.34Å; K114-D142 PolarHBondContact O-N 3.28Å
115	A	94.4	Very high	75.1	Confident	44 Å²	44	74 Å²	74	36%	0.364	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.2	-176.7	0	0	0	0	0	110.1	R113 D142 K144	R113-A115 PolarHBondContact O-N 2.92Å; R113-A115 VanDerWaalsContact O-N 3.07Å; A115-D142 CarbonylContact C-O 3.43Å; A115-D142 WeakPolarHBondContact CA-O 3.48Å; A115-D142 HydrophobicContact CB-CB 4.46Å; A115-K144 HydrophobicContact CB-CB 4.42Å
116	K	97.3	Very high	77.7	Confident	42 Å²	42	68.4 Å²	68.4	18%	0.183	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.1	168.7	-72.8	-63.5	-171	-177.7	0	109	V137 L138 Y141 D142 K144 D183 M416 L420	K116-V137 HydrophobicContact CB-CG2 3.87Å; K116-V137 HydrophobicContact CG-CG2 3.86Å; K116-L138 HydrophobicContact CG-CD1 4.33Å; K116-Y141 HydrophobicContact CD-CD1 4.47Å; K116-Y141 HydrophobicContact CG-CD1 4Å; K116-Y141 HydrophobicContact CG-CG 4.37Å; K116-D142 PolarHBondContact N-O 2.78Å; K116-K144 PolarHBondContact O-N 2.95Å; K116-D183 WeakPolarHBondContact CA-OD2 3.49Å; K116-D183 HydrophobicContact CB-CB 4.49Å; K116-D183 HydrophobicContact CD-CB 3.96Å; K116-D183 WeakPolarHBondContact CD-OD1 3.34Å; K116-D183 VanDerWaalsContact CD-OD2 3.28Å; K116-D183 WeakPolarHBondContact CD-OD2 3.19Å; K116-D183 IonicContact NZ-OD1 3.75Å; K116-D183 PolarHBondContact NZ-OD1 3.02Å; K116-M416 HydrophobicContact CB-CE 3.78Å; K116-L420 HydrophobicContact CD-CD1 4.15Å; K116-L420 HydrophobicContact CG-CD1 4.27Å
117	V	98.2	Very high	80.2	Confident	24 Å²	24	68.3 Å²	68.3	15%	0.145	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.2	-174.7	-175.8	0	0	0	0	109.3	K144 E146 F180 P182 D183 F184	V117-K144 CarbonylContact C-O 3.49Å; V117-K144 WeakPolarHBondContact CA-O 3.23Å; V117-K144 HydrophobicContact CG2-CB 4.47Å; V117-K144 HydrophobicContact CG2-CD 4.25Å; V117-E146 HydrophobicContact CG1-CG 4.06Å; V117-F180 HydrophobicContact CG1-CD2 4.03Å; V117-F180 HydrophobicContact CG1-CE2 4.44Å; V117-P182 HydrophobicContact CG1-CB 4.46Å; V117-D183 PolarHBondContact N-OD2 2.92Å; V117-D183 PolarHBondContact O-N 3.4Å; V117-F184 PolarHBondContact O-N 3.44Å
118	L	98.8	Very high	82.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.7	172.3	175.1	65	0	0	0	108.2	V120 F132 I143 K144 V145 E146 F184 L186 V412 M416	L118-V120 HydrophobicContact CD2-CG2 3.92Å; L118-V120 HydrophobicContact CG-CG2 3.92Å; L118-F132 HydrophobicContact CD2-CD1 4.17Å; L118-F132 HydrophobicContact CD2-CD2 3.77Å; L118-F132 HydrophobicContact CD2-CE1 3.8Å; L118-F132 HydrophobicContact CD2-CE2 3.38Å; L118-F132 HydrophobicContact CD2-CG 4.16Å; L118-F132 HydrophobicContact CD2-CZ 3.4Å; L118-F132 VanDerWaalsContact CD2-CZ 3.4Å; L118-I143 HydrophobicContact CB-CG2 3.94Å; L118-I143 HydrophobicContact CD2-CG2 4.33Å; L118-K144 PolarHBondContact N-O 3.36Å; L118-V145 HydrophobicContact CD2-CG2 4.41Å; L118-V145 WeakPolarHBondContact O-CA 3.38Å; L118-E146 PolarHBondContact O-N 3.35Å; L118-F184 HydrophobicContact CD1-CB 4.08Å; L118-F184 HydrophobicContact CD1-CD1 3.76Å; L118-F184 HydrophobicContact CD1-CG 4.36Å; L118-L186 HydrophobicContact CD1-CB 4.37Å; L118-V412 HydrophobicContact CD1-CG1 3.9Å; L118-V412 HydrophobicContact CD2-CG1 3.83Å; L118-M416 HydrophobicContact CD1-SD 4.44Å
119	L	98.8	Very high	85.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.8	163	174.2	56.8	0	0	0	108.6	V121 E146 L153 V165 M167 F180 P182 F184 V185 L186 M207	L119-V121 HydrophobicContact CD1-CG2 4.46Å; L119-V121 HydrophobicContact CD2-CG2 4.18Å; L119-V121 HydrophobicContact CG-CG2 4.01Å; L119-E146 CarbonylContact C-O 3.53Å; L119-E146 WeakPolarHBondContact CA-O 3.29Å; L119-L153 HydrophobicContact CD1-CD1 4.36Å; L119-L153 HydrophobicContact CD1-CD2 4.4Å; L119-L153 HydrophobicContact CD2-CD1 4.29Å; L119-V165 HydrophobicContact CD2-CG1 4.26Å; L119-M167 HydrophobicContact CD1-CE 4.49Å; L119-F180 HydrophobicContact CB-CE2 4.44Å; L119-F180 HydrophobicContact CD1-CE2 4.49Å; L119-F180 HydrophobicContact CD1-CZ 4.07Å; L119-P182 HydrophobicContact CB-CB 3.81Å; L119-P182 HydrophobicContact CB-CG 4.27Å; L119-P182 HydrophobicContact CD2-CG 4.49Å; L119-F184 PolarHBondContact N-O 2.63Å; L119-V185 HydrophobicContact CB-CG1 4.25Å; L119-V185 HydrophobicContact CB-CG2 4.4Å; L119-V185 HydrophobicContact CD2-CG1 4.16Å; L119-V185 HydrophobicContact CG-CG1 4.12Å; L119-V185 CarbonylContact O-C 3.58Å; L119-V185 WeakPolarHBondContact O-CA 3.25Å; L119-L186 PolarHBondContact O-N 3.12Å; L119-M207 HydrophobicContact CD2-CE 4.03Å
120	V	98.8	Very high	87.8	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.6	167.7	-175.4	0	0	0	0	108.9	L118 D122 W128 V145 E146 Q147 A148 L186	L118-V120 HydrophobicContact CD2-CG2 3.92Å; L118-V120 HydrophobicContact CG-CG2 3.92Å; V120-D122 HydrophobicContact CG1-CB 3.84Å; V120-D122 PolarHBondContact O-N 3.03Å; V120-W128 HydrophobicContact CG1-CB 4.35Å; V120-W128 HydrophobicContact CG1-CD2 4.29Å; V120-W128 HydrophobicContact CG1-CG 3.83Å; V120-W128 HydrophobicContact CG2-CB 4.14Å; V120-W128 HydrophobicContact CG2-CG 4.4Å; V120-V145 HydrophobicContact CG2-CG1 3.97Å; V120-E146 PolarHBondContact N-O 3.05Å; V120-Q147 HydrophobicContact CB-CB 4.4Å; V120-Q147 HydrophobicContact CB-CG 4.31Å; V120-Q147 WeakPolarHBondContact O-CA 3.43Å; V120-A148 PolarHBondContact O-N 2.94Å; V120-L186 WeakPolarHBondContact CA-O 3.47Å; V120-L186 HydrophobicContact CG1-CB 4.41Å; V120-L186 HydrophobicContact CG1-CD2 3.96Å; V120-L186 HydrophobicContact CG1-CG 4.28Å; V120-L186 HydrophobicContact CG2-CB 4.29Å; V120-L186 HydrophobicContact CG2-CD2 4.29Å
121	V	98.8	Very high	90.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	82.6	175.3	-167.8	0	0	0	0	108.8	L119 A148 F150 L153 V185 L186 I187 R188 Q189	L119-V121 HydrophobicContact CD1-CG2 4.46Å; L119-V121 HydrophobicContact CD2-CG2 4.18Å; L119-V121 HydrophobicContact CG-CG2 4.01Å; V121-A148 WeakPolarHBondContact CA-O 3.29Å; V121-F150 HydrophobicContact CB-CE1 4.49Å; V121-F150 HydrophobicContact CB-CZ 4.44Å; V121-F150 HydrophobicContact CG1-CB 4.32Å; V121-F150 HydrophobicContact CG1-CD1 3.65Å; V121-F150 HydrophobicContact CG1-CD2 3.65Å; V121-F150 HydrophobicContact CG1-CE1 3.8Å; V121-F150 HydrophobicContact CG1-CE2 3.79Å; V121-F150 HydrophobicContact CG1-CG 3.56Å; V121-F150 HydrophobicContact CG1-CZ 3.85Å; V121-F150 HydrophobicContact CG2-CE1 4.41Å; V121-L153 HydrophobicContact CG1-CD1 4.25Å; V121-L153 HydrophobicContact CG2-CD1 3.9Å; V121-V185 HydrophobicContact CG2-CG1 4.09Å; V121-L186 PolarHBondContact N-O 3.07Å; V121-I187 HydrophobicContact CB-CG1 4.38Å; V121-I187 HydrophobicContact CG2-CG1 4.27Å; V121-R188 WeakPolarHBondContact O-CA 3.29Å; V121-R188 WeakPolarHBondContact O-CB 3.39Å; V121-R188 PolarHBondContact O-N 2.98Å; V121-Q189 PolarHBondContact O-N 3.04Å; V121-Q189 VanDerWaalsContact O-N 3.13Å
122	D	98.3	Very high	92.5	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.059	29%	0.293	C	S	.	.	S	Bend	trans	-147.9	152.7	-177.6	-153.6	-4	0	0	0	110.5	V120 W128 Q147 R188	V120-D122 HydrophobicContact CG1-CB 3.84Å; V120-D122 PolarHBondContact O-N 3.03Å; D122-W128 PolarHBondContact OD2-NE1 2.78Å; D122-Q147 PolarHBondContact O-NE2 2.91Å; D122-R188 HydrophobicContact CB-CB 3.58Å; D122-R188 HydrophobicContact CB-CG 4.03Å; D122-R188 WeakPolarHBondContact OD1-CB 3.09Å; D122-R188 WeakPolarHBondContact OD2-CB 3.48Å; D122-R188 WeakPolarHBondContact OD2-CG 3.32Å; D122-R188 IonicContact OD2-NE 2.71Å
123	E	93.8	Very high	94.4	Very high	90 Å²	90	59.5 Å²	59.5	42%	0.421	29%	0.29	S	S	.	.			trans	-55.5	149.2	178.6	-76.3	178.6	-139.7	0	0	112.6	H125 A126 Q147	E123-H125 VanDerWaalsContact CB-ND1 3.32Å; E123-H125 WeakPolarHBondContact CB-ND1 3.19Å; E123-H125 PolarHBondContact O-N 3.07Å; E123-H125 IonicContact OE2-CE1 3.88Å; E123-H125 PolarHBondContact OE2-CE1 2.86Å; E123-H125 VanDerWaalsContact OE2-CE1 3.26Å; E123-H125 IonicContact OE2-ND1 2.75Å; E123-H125 PolarHBondContact OE2-ND1 2.65Å; E123-A126 PolarHBondContact O-N 2.82Å; E123-Q147 PolarHBondContact O-NE2 3.07Å
124	P	92.1	Very high	95.9	Very high	103 Å²	103	53.9 Å²	53.9	67%	0.669	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.5	-177.8	27.2	-36.1	0	0	0	114.5	A126 E149	P124-A126 PolarHBondContact O-N 3.22Å; P124-E149 VanDerWaalsContact CD-OE1 3.22Å; P124-E149 WeakPolarHBondContact CD-OE1 3.28Å
125	H	90.2	Very high	96.3	Very high	133 Å²	133	52.3 Å²	52.3	62%	0.616	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.3	176.4	77.7	-111.3	0	0	0	113	E123	E123-H125 VanDerWaalsContact CB-ND1 3.32Å; E123-H125 WeakPolarHBondContact CB-ND1 3.19Å; E123-H125 PolarHBondContact O-N 3.07Å; E123-H125 IonicContact OE2-CE1 3.88Å; E123-H125 PolarHBondContact OE2-CE1 2.86Å; E123-H125 VanDerWaalsContact OE2-CE1 3.26Å; E123-H125 IonicContact OE2-ND1 2.75Å; E123-H125 PolarHBondContact OE2-ND1 2.65Å
126	A	91.5	Very high	96.4	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.041	29%	0.286	C	S	.	.	S	Bend	trans	-105.4	104.6	179.7	0	0	0	0	0	111.4	E123 P124 W128 Q147	E123-A126 PolarHBondContact O-N 2.82Å; P124-A126 PolarHBondContact O-N 3.22Å; A126-W128 PolarHBondContact O-N 3.48Å; A126-Q147 PolarHBondContact O-NE2 3.02Å; A126-Q147 PolarHBondContact O-OE1 2.63Å; A126-Q147 VanDerWaalsContact O-OE1 3.13Å
127	D	94.8	Very high	96.4	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	28%	0.278	S	S	.	.			trans	-74.1	84.8	176.5	179.8	0.7	0	0	0	111.6	A129 K130 C131	D127-A129 PolarHBondContact OD1-N 3.06Å; D127-K130 HydrophobicContact CB-CB 4.27Å; D127-K130 VanDerWaalsContact OD1-CB 3.31Å; D127-K130 WeakPolarHBondContact OD1-CB 3.39Å; D127-K130 PolarHBondContact OD1-N 3.26Å; D127-K130 WeakPolarHBondContact OD2-CB 3.4Å; D127-C131 PolarHBondContact O-SG 3.02Å
128	W	98.1	Very high	96.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72.5	-28.8	175.7	-68.9	98.8	0	0	0	112.3	V120 D122 A126 K130 C131 F132 L186 R188 R405 I408	V120-W128 HydrophobicContact CG1-CB 4.35Å; V120-W128 HydrophobicContact CG1-CD2 4.29Å; V120-W128 HydrophobicContact CG1-CG 3.83Å; V120-W128 HydrophobicContact CG2-CB 4.14Å; V120-W128 HydrophobicContact CG2-CG 4.4Å; D122-W128 PolarHBondContact OD2-NE1 2.78Å; A126-W128 PolarHBondContact O-N 3.48Å; W128-K130 PolarHBondContact O-N 3.36Å; W128-C131 HydrophobicContact CE3-CB 4.32Å; W128-C131 WeakPolarHBondContact O-CA 3.46Å; W128-C131 WeakPolarHBondContact O-CB 3.18Å; W128-C131 PolarHBondContact O-N 3.47Å; W128-F132 HydrophobicContact CB-CD2 4.46Å; W128-F132 HydrophobicContact CB-CE2 4.48Å; W128-F132 AromaticContact CE3-CE2 3.96Å; W128-F132 HydrophobicContact CE3-CE2 3.96Å; W128-F132 VanDerWaalsContact O-CD2 3.32Å; W128-F132 WeakPolarHBondContact O-CD2 3.25Å; W128-F132 PolarHBondContact O-N 3.04Å; W128-L186 HydrophobicContact CD2-CD2 4.35Å; W128-L186 HydrophobicContact CE3-CD2 4.2Å; W128-L186 HydrophobicContact CH2-CD2 4.18Å; W128-L186 HydrophobicContact CZ2-CD2 4.33Å; W128-L186 HydrophobicContact CZ3-CD2 4.12Å; W128-R188 HydrophobicContact CZ2-CG 4.24Å; W128-R405 HydrophobicContact CH2-CB 4.17Å; W128-R405 HydrophobicContact CH2-CG 3.8Å; W128-R405 HydrophobicContact CZ2-CG 4.1Å; W128-R405 HydrophobicContact CZ3-CB 4.15Å; W128-R405 HydrophobicContact CZ3-CG 4.22Å; W128-I408 HydrophobicContact CH2-CB 3.85Å; W128-I408 HydrophobicContact CH2-CD1 4.01Å; W128-I408 HydrophobicContact CH2-CG2 3.57Å; W128-I408 HydrophobicContact CZ3-CB 4Å; W128-I408 HydrophobicContact CZ3-CG2 3.72Å
129	A	97.3	Very high	95.8	Very high	46 Å²	46	57 Å²	57	38%	0.38	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-30.7	176.2	0	0	0	0	0	112.7	D127 R133 V145	D127-A129 PolarHBondContact OD1-N 3.06Å; A129-R133 PolarHBondContact O-N 2.66Å; A129-V145 HydrophobicContact CB-CB 4.15Å; A129-V145 HydrophobicContact CB-CG1 4.37Å
130	K	97.2	Very high	95.5	Very high	141 Å²	141	60.9 Å²	60.9	61%	0.613	34%	0.336	S	S	*	.	H	α-helix	trans	-72.6	-37.3	168.2	174.9	-179.8	179	-178.7	0	113.1	D127 W128 R133	D127-K130 HydrophobicContact CB-CB 4.27Å; D127-K130 VanDerWaalsContact OD1-CB 3.31Å; D127-K130 WeakPolarHBondContact OD1-CB 3.39Å; D127-K130 PolarHBondContact OD1-N 3.26Å; D127-K130 WeakPolarHBondContact OD2-CB 3.4Å; W128-K130 PolarHBondContact O-N 3.36Å; K130-R133 WeakPolarHBondContact O-CB 3.35Å; K130-R133 PolarHBondContact O-N 2.65Å
131	C	97.5	Very high	95.4	Very high	34 Å²	34	64.2 Å²	64.2	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-40.6	179.2	-61.2	0	0	0	0	112.4	D127 W128 T409	D127-C131 PolarHBondContact O-SG 3.02Å; W128-C131 HydrophobicContact CE3-CB 4.32Å; W128-C131 WeakPolarHBondContact O-CA 3.46Å; W128-C131 WeakPolarHBondContact O-CB 3.18Å; W128-C131 PolarHBondContact O-N 3.47Å; C131-T409 WeakPolarHBondContact CB-OG1 3.36Å
132	F	98.1	Very high	95.3	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.2	176.3	-68.9	-79.2	0	0	0	114.4	L118 W128 G134 K135 I143 V145 T409 V412 I413	L118-F132 HydrophobicContact CD2-CD1 4.17Å; L118-F132 HydrophobicContact CD2-CD2 3.77Å; L118-F132 HydrophobicContact CD2-CE1 3.8Å; L118-F132 HydrophobicContact CD2-CE2 3.38Å; L118-F132 HydrophobicContact CD2-CG 4.16Å; L118-F132 HydrophobicContact CD2-CZ 3.4Å; L118-F132 VanDerWaalsContact CD2-CZ 3.4Å; W128-F132 HydrophobicContact CB-CD2 4.46Å; W128-F132 HydrophobicContact CB-CE2 4.48Å; W128-F132 AromaticContact CE3-CE2 3.96Å; W128-F132 HydrophobicContact CE3-CE2 3.96Å; W128-F132 VanDerWaalsContact O-CD2 3.32Å; W128-F132 WeakPolarHBondContact O-CD2 3.25Å; W128-F132 PolarHBondContact O-N 3.04Å; F132-G134 PolarHBondContact O-N 2.65Å; F132-K135 WeakPolarHBondContact O-CB 3.44Å; F132-K135 PolarHBondContact O-N 3.47Å; F132-I143 HydrophobicContact CB-CB 4.46Å; F132-I143 HydrophobicContact CB-CG2 4.19Å; F132-I143 HydrophobicContact CD1-CD1 3.76Å; F132-I143 HydrophobicContact CD1-CG2 4.29Å; F132-I143 HydrophobicContact CE1-CD1 4.5Å; F132-I143 HydrophobicContact CG-CG2 4.32Å; F132-V145 HydrophobicContact CB-CG2 3.76Å; F132-V145 HydrophobicContact CD2-CG2 3.78Å; F132-V145 HydrophobicContact CG-CG2 4.02Å; F132-T409 HydrophobicContact CD1-CG2 3.54Å; F132-T409 HydrophobicContact CD2-CG2 4.49Å; F132-T409 HydrophobicContact CE1-CG2 3.52Å; F132-T409 HydrophobicContact CE2-CG2 4.45Å; F132-T409 HydrophobicContact CG-CG2 4.05Å; F132-T409 HydrophobicContact CZ-CG2 3.98Å; F132-V412 HydrophobicContact CE1-CB 3.85Å; F132-V412 HydrophobicContact CE1-CG1 3.7Å; F132-V412 HydrophobicContact CZ-CB 3.76Å; F132-V412 HydrophobicContact CZ-CG1 3.72Å; F132-V412 HydrophobicContact CZ-CG2 4.1Å; F132-I413 HydrophobicContact CD1-CD1 4.48Å; F132-I413 HydrophobicContact CD1-CG1 4.34Å; F132-I413 HydrophobicContact CE1-CG1 4.22Å
133	R	96.6	Very high	95.3	Very high	196 Å²	196	66.6 Å²	66.6	74%	0.74	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	119.9	-173.8	-174.9	174.5	-66	-149.1	1.7	112	A129 K130 K135	A129-R133 PolarHBondContact O-N 2.66Å; K130-R133 WeakPolarHBondContact O-CB 3.35Å; K130-R133 PolarHBondContact O-N 2.65Å; R133-K135 PolarHBondContact O-N 3.32Å
134	G	95.4	Very high	95.5	Very high	71 Å²	71	67.1 Å²	67.1	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-0.3	179.7	0	0	0	0	0	114.7	F132	F132-G134 PolarHBondContact O-N 2.65Å
135	K	97.1	Very high	95.8	Very high	74 Å²	74	63.6 Å²	63.6	32%	0.322	34%	0.339	S	S	.	.			trans	-73.3	149.8	167.6	-58.8	-76.2	-166.4	161.8	0	109	F132 R133 I143 T409 E410 I413	F132-K135 WeakPolarHBondContact O-CB 3.44Å; F132-K135 PolarHBondContact O-N 3.47Å; R133-K135 PolarHBondContact O-N 3.32Å; K135-I143 HydrophobicContact CB-CD1 4.05Å; K135-T409 HydrophobicContact CG-CG2 4.47Å; K135-E410 IonicContact NZ-OE1 3.77Å; K135-E410 PolarHBondContact NZ-OE1 2.84Å; K135-I413 HydrophobicContact CB-CD1 3.66Å; K135-I413 HydrophobicContact CB-CG1 4.46Å; K135-I413 HydrophobicContact CD-CD1 3.73Å; K135-I413 HydrophobicContact CG-CD1 3.75Å
136	K	96.4	Very high	96.1	Very high	96 Å²	96	57.9 Å²	57.9	42%	0.417	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.8	-177.4	-71.6	-173.8	171.4	-65.6	0	112.1	D140 Y141 D142	K136-D140 PolarHBondContact NZ-O 3.29Å; K136-Y141 WeakPolarHBondContact CA-O 3.44Å; K136-Y141 WeakPolarHBondContact CB-O 3.45Å; K136-Y141 WeakPolarHBondContact CG-O 3.37Å; K136-D142 IonicContact NZ-OD1 2.75Å; K136-D142 PolarHBondContact NZ-OD1 2.94Å
137	V	96.7	Very high	96.5	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	161.3	173.2	-69.7	0	0	0	0	110.3	K116 G139 Y141 I143 I413 M416 N417	K116-V137 HydrophobicContact CB-CG2 3.87Å; K116-V137 HydrophobicContact CG-CG2 3.86Å; V137-G139 PolarHBondContact O-N 2.83Å; V137-G139 VanDerWaalsContact O-N 3.09Å; V137-Y141 PolarHBondContact N-O 2.82Å; V137-Y141 WeakPolarHBondContact O-CB 3.3Å; V137-Y141 PolarHBondContact O-N 2.97Å; V137-Y141 VanDerWaalsContact O-N 3.08Å; V137-I143 HydrophobicContact CG1-CD1 4.01Å; V137-I143 HydrophobicContact CG1-CG1 4.21Å; V137-I143 HydrophobicContact CG2-CG1 4.24Å; V137-I413 HydrophobicContact CG1-CG2 4.23Å; V137-M416 HydrophobicContact CG1-CB 3.8Å; V137-M416 HydrophobicContact CG1-SD 4.27Å; V137-M416 HydrophobicContact CG2-CE 4.35Å; V137-N417 VanDerWaalsContact CA-OD1 3.25Å; V137-N417 WeakPolarHBondContact CA-OD1 3.41Å; V137-N417 WeakPolarHBondContact CB-OD1 3.46Å
138	L	94	Very high	96.6	Very high	45 Å²	45	56.2 Å²	56.2	24%	0.236	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.2	175.9	-50	178.7	0	0	0	113.2	K116 D140 Y141 N417 L420 S421	K116-L138 HydrophobicContact CG-CD1 4.33Å; L138-D140 PolarHBondContact O-N 2.84Å; L138-Y141 HydrophobicContact CB-CD2 3.76Å; L138-Y141 HydrophobicContact CB-CE2 4.12Å; L138-Y141 HydrophobicContact CB-CG 4.44Å; L138-N417 PolarHBondContact N-OD1 3.25Å; L138-L420 HydrophobicContact CD1-CB 4.03Å; L138-L420 HydrophobicContact CD2-CB 4.3Å; L138-S421 WeakPolarHBondContact CD2-OG 3.37Å
139	G	89.9	Confident	96.6	Very high	68 Å²	68	58.8 Å²	58.8	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-87.1	-172.2	0	0	0	0	0	112.6	V137	V137-G139 PolarHBondContact O-N 2.83Å; V137-G139 VanDerWaalsContact O-N 3.09Å
140	D	93.1	Very high	96.7	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-9	-167.1	71	-33.6	0	0	0	115.7	K114 K136 L138	K114-D140 IonicContact NZ-OD1 3.45Å; K114-D140 PolarHBondContact NZ-OD1 2.86Å; K114-D140 IonicContact NZ-OD2 2.72Å; K114-D140 PolarHBondContact NZ-OD2 3.07Å; K136-D140 PolarHBondContact NZ-O 3.29Å; L138-D140 PolarHBondContact O-N 2.84Å
141	Y	96	Very high	96.7	Very high	71 Å²	71	54 Å²	54	28%	0.278	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.1	-171.8	-65.6	-116.6	0	0	0	111.8	K114 K116 K136 V137 L138	K114-Y141 HydrophobicContact CB-CD1 3.56Å; K114-Y141 HydrophobicContact CB-CD2 4.49Å; K114-Y141 HydrophobicContact CB-CE1 3.71Å; K114-Y141 HydrophobicContact CB-CG 3.97Å; K114-Y141 HydrophobicContact CD-CD2 4.48Å; K114-Y141 HydrophobicContact CD-CE1 4.07Å; K114-Y141 HydrophobicContact CD-CE2 4.01Å; K114-Y141 HydrophobicContact CG-CE1 4.37Å; K114-Y141 CarbonylContact O-C 3.47Å; K114-Y141 VanDerWaalsContact O-CA 3.27Å; K114-Y141 WeakPolarHBondContact O-CA 3.34Å; K116-Y141 HydrophobicContact CD-CD1 4.47Å; K116-Y141 HydrophobicContact CG-CD1 4Å; K116-Y141 HydrophobicContact CG-CG 4.37Å; K136-Y141 WeakPolarHBondContact CA-O 3.44Å; K136-Y141 WeakPolarHBondContact CB-O 3.45Å; K136-Y141 WeakPolarHBondContact CG-O 3.37Å; V137-Y141 PolarHBondContact N-O 2.82Å; V137-Y141 WeakPolarHBondContact O-CB 3.3Å; V137-Y141 PolarHBondContact O-N 2.97Å; V137-Y141 VanDerWaalsContact O-N 3.08Å; L138-Y141 HydrophobicContact CB-CD2 3.76Å; L138-Y141 HydrophobicContact CB-CE2 4.12Å; L138-Y141 HydrophobicContact CB-CG 4.44Å
142	D	96.9	Very high	96.7	Very high	39 Å²	39	55.9 Å²	55.9	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	151.4	169.1	-72.9	-30.3	0	0	0	111	R113 K114 A115 K116 K136	R113-D142 WeakPolarHBondContact CD-OD2 3.35Å; K114-D142 PolarHBondContact O-N 3.28Å; A115-D142 CarbonylContact C-O 3.43Å; A115-D142 WeakPolarHBondContact CA-O 3.48Å; A115-D142 HydrophobicContact CB-CB 4.46Å; K116-D142 PolarHBondContact N-O 2.78Å; K136-D142 IonicContact NZ-OD1 2.75Å; K136-D142 PolarHBondContact NZ-OD1 2.94Å
143	I	98.1	Very high	96.7	Very high	22 Å²	22	56.4 Å²	56.4	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.7	171.1	-56.3	172.1	0	0	0	108.7	L118 F132 K135 V137 V145 I413	L118-I143 HydrophobicContact CB-CG2 3.94Å; L118-I143 HydrophobicContact CD2-CG2 4.33Å; F132-I143 HydrophobicContact CB-CB 4.46Å; F132-I143 HydrophobicContact CB-CG2 4.19Å; F132-I143 HydrophobicContact CD1-CD1 3.76Å; F132-I143 HydrophobicContact CD1-CG2 4.29Å; F132-I143 HydrophobicContact CE1-CD1 4.5Å; F132-I143 HydrophobicContact CG-CG2 4.32Å; K135-I143 HydrophobicContact CB-CD1 4.05Å; V137-I143 HydrophobicContact CG1-CD1 4.01Å; V137-I143 HydrophobicContact CG1-CG1 4.21Å; V137-I143 HydrophobicContact CG2-CG1 4.24Å; I143-V145 HydrophobicContact CG2-CG2 4.23Å; I143-I413 HydrophobicContact CD1-CG1 3.87Å
144	K	97.9	Very high	96.8	Very high	100 Å²	100	51.7 Å²	51.7	44%	0.435	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.5	170.9	-171.3	-161	-179.3	-158.8	0	108.6	A115 K116 V117 L118 E146	A115-K144 HydrophobicContact CB-CB 4.42Å; K116-K144 PolarHBondContact O-N 2.95Å; V117-K144 CarbonylContact C-O 3.49Å; V117-K144 WeakPolarHBondContact CA-O 3.23Å; V117-K144 HydrophobicContact CG2-CB 4.47Å; V117-K144 HydrophobicContact CG2-CD 4.25Å; L118-K144 PolarHBondContact N-O 3.36Å; K144-E146 WeakPolarHBondContact CE-OE1 3.21Å; K144-E146 IonicContact NZ-OE1 3.73Å; K144-E146 PolarHBondContact NZ-OE1 2.92Å
145	V	98.4	Very high	96.9	Very high	29 Å²	29	49.7 Å²	49.7	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.9	175	-177.5	0	0	0	0	110	L118 V120 A129 F132 I143 Q147	L118-V145 HydrophobicContact CD2-CG2 4.41Å; L118-V145 WeakPolarHBondContact O-CA 3.38Å; V120-V145 HydrophobicContact CG2-CG1 3.97Å; A129-V145 HydrophobicContact CB-CB 4.15Å; A129-V145 HydrophobicContact CB-CG1 4.37Å; F132-V145 HydrophobicContact CB-CG2 3.76Å; F132-V145 HydrophobicContact CD2-CG2 3.78Å; F132-V145 HydrophobicContact CG-CG2 4.02Å; I143-V145 HydrophobicContact CG2-CG2 4.23Å; V145-Q147 HydrophobicContact CG1-CB 4.39Å
146	E	98	Very high	97	Very high	14 Å²	14	49.5 Å²	49.5	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133	158.1	-60.7	-79.4	163.7	0	0	106.1	V117 L118 L119 V120 K144 M167 R178 F180	V117-E146 HydrophobicContact CG1-CG 4.06Å; L118-E146 PolarHBondContact O-N 3.35Å; L119-E146 CarbonylContact C-O 3.53Å; L119-E146 WeakPolarHBondContact CA-O 3.29Å; V120-E146 PolarHBondContact N-O 3.05Å; K144-E146 WeakPolarHBondContact CE-OE1 3.21Å; K144-E146 IonicContact NZ-OE1 3.73Å; K144-E146 PolarHBondContact NZ-OE1 2.92Å; E146-M167 HydrophobicContact CB-CE 3.87Å; E146-R178 IonicContact OE2-CZ 3.42Å; E146-R178 IonicContact OE2-NH1 3.32Å; E146-R178 PolarHBondContact OE2-NH1 3.05Å; E146-F180 HydrophobicContact CB-CD2 4.45Å; E146-F180 HydrophobicContact CB-CE2 3.94Å; E146-F180 HydrophobicContact CB-CZ 4.1Å; E146-F180 HydrophobicContact CG-CD2 3.98Å; E146-F180 HydrophobicContact CG-CE2 3.99Å; E146-F180 HydrophobicContact CG-CG 4.39Å; E146-F180 HydrophobicContact CG-CZ 4.43Å
147	Q	98.1	Very high	97.1	Very high	47 Å²	47	46 Å²	46	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.5	-177.8	179.2	177.9	-14.6	0	0	109.7	V120 D122 E123 A126 V145	V120-Q147 HydrophobicContact CB-CB 4.4Å; V120-Q147 HydrophobicContact CB-CG 4.31Å; V120-Q147 WeakPolarHBondContact O-CA 3.43Å; D122-Q147 PolarHBondContact O-NE2 2.91Å; E123-Q147 PolarHBondContact O-NE2 3.07Å; A126-Q147 PolarHBondContact O-NE2 3.02Å; A126-Q147 PolarHBondContact O-OE1 2.63Å; A126-Q147 VanDerWaalsContact O-OE1 3.13Å; V145-Q147 HydrophobicContact CG1-CB 4.39Å
148	A	98	Very high	97.2	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	165	178.2	0	0	0	0	0	110.3	V120 V121 E152 L153 M167	V120-A148 PolarHBondContact O-N 2.94Å; V121-A148 WeakPolarHBondContact CA-O 3.29Å; A148-E152 WeakPolarHBondContact CA-OE2 3.42Å; A148-E152 HydrophobicContact CB-CB 4.17Å; A148-E152 WeakPolarHBondContact CB-OE2 3.34Å; A148-L153 HydrophobicContact CB-CD2 4.11Å; A148-L153 HydrophobicContact CB-CG 4.15Å; A148-M167 HydrophobicContact CB-CE 3.62Å; A148-M167 HydrophobicContact CB-CG 3.81Å; A148-M167 HydrophobicContact CB-SD 3.98Å
149	E	98.1	Very high	97.3	Very high	55 Å²	55	52.6 Å²	52.6	26%	0.257	30%	0.304	S	S	.	.			trans	-82.3	158.3	171	-60.7	-166.4	-136.7	0	0	111.7	P124 S151 E152 L153 Q189	P124-E149 VanDerWaalsContact CD-OE1 3.22Å; P124-E149 WeakPolarHBondContact CD-OE1 3.28Å; E149-S151 PolarHBondContact O-N 2.87Å; E149-E152 HydrophobicContact CB-CG 4.38Å; E149-E152 PolarHBondContact N-OE2 3.37Å; E149-E152 PolarHBondContact O-N 3.33Å; E149-L153 WeakPolarHBondContact O-CG 3.35Å; E149-Q189 PolarHBondContact OE2-NE2 3.41Å
150	F	98.4	Very high	97.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.4	175.2	-83.2	-60.3	0	0	0	112.5	V121 E152 L153 I187 Q189 A191 F200 L203 I204	V121-F150 HydrophobicContact CB-CE1 4.49Å; V121-F150 HydrophobicContact CB-CZ 4.44Å; V121-F150 HydrophobicContact CG1-CB 4.32Å; V121-F150 HydrophobicContact CG1-CD1 3.65Å; V121-F150 HydrophobicContact CG1-CD2 3.65Å; V121-F150 HydrophobicContact CG1-CE1 3.8Å; V121-F150 HydrophobicContact CG1-CE2 3.79Å; V121-F150 HydrophobicContact CG1-CG 3.56Å; V121-F150 HydrophobicContact CG1-CZ 3.85Å; V121-F150 HydrophobicContact CG2-CE1 4.41Å; F150-E152 PolarHBondContact O-N 3.38Å; F150-L153 PolarHBondContact O-N 2.89Å; F150-I187 HydrophobicContact CE2-CG2 4.08Å; F150-I187 HydrophobicContact CZ-CD1 4.31Å; F150-I187 HydrophobicContact CZ-CG1 4.36Å; F150-I187 HydrophobicContact CZ-CG2 3.8Å; F150-Q189 HydrophobicContact CD2-CB 3.74Å; F150-Q189 HydrophobicContact CE2-CB 3.95Å; F150-A191 HydrophobicContact CE2-CB 4.25Å; F150-A191 HydrophobicContact CZ-CB 4.23Å; F150-F200 HydrophobicContact CB-CB 3.96Å; F150-F200 HydrophobicContact CB-CD1 3.57Å; F150-F200 HydrophobicContact CB-CD2 3.53Å; F150-F200 HydrophobicContact CB-CE1 3.86Å; F150-F200 HydrophobicContact CB-CE2 3.82Å; F150-F200 HydrophobicContact CB-CG 3.39Å; F150-F200 HydrophobicContact CB-CZ 3.97Å; F150-F200 HydrophobicContact CD1-CB 3.95Å; F150-F200 HydrophobicContact CD1-CG 4.34Å; F150-F200 HydrophobicContact CD2-CB 4.2Å; F150-F200 AromaticContact CD2-CD2 3.88Å; F150-F200 HydrophobicContact CD2-CD2 3.88Å; F150-F200 HydrophobicContact CD2-CG 4.18Å; F150-F200 HydrophobicContact CE1-CB 4.48Å; F150-F200 HydrophobicContact CG-CB 3.81Å; F150-F200 HydrophobicContact CG-CD1 4.38Å; F150-F200 AromaticContact CG-CD2 3.89Å; F150-F200 HydrophobicContact CG-CD2 3.89Å; F150-F200 AromaticContact CG-CG 3.77Å; F150-F200 HydrophobicContact CG-CG 3.77Å; F150-L203 HydrophobicContact CB-CD1 4.4Å; F150-L203 HydrophobicContact CD1-CB 4.45Å; F150-L203 HydrophobicContact CD1-CD1 3.8Å; F150-I204 HydrophobicContact CE1-CD1 3.97Å; F150-I204 HydrophobicContact CZ-CD1 3.82Å
151	S	97.4	Very high	97.4	Very high	83 Å²	83	52.6 Å²	52.6	58%	0.58	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67.3	-16.1	177.3	56.9	0	0	0	0	114.2	E149	E149-S151 PolarHBondContact O-N 2.87Å
152	E	97.4	Very high	97.4	Very high	74 Å²	74	51.8 Å²	51.8	35%	0.346	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-99.2	-6.4	177.3	-60.4	-177.9	121	0	0	112.7	A148 E149 F150 Q168	A148-E152 WeakPolarHBondContact CA-OE2 3.42Å; A148-E152 HydrophobicContact CB-CB 4.17Å; A148-E152 WeakPolarHBondContact CB-OE2 3.34Å; E149-E152 HydrophobicContact CB-CG 4.38Å; E149-E152 PolarHBondContact N-OE2 3.37Å; E149-E152 PolarHBondContact O-N 3.33Å; F150-E152 PolarHBondContact O-N 3.38Å; E152-Q168 PolarHBondContact O-N 2.77Å
153	L	98.4	Very high	97.5	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.2	-170.6	-70.1	170.9	0	0	0	113.1	L119 V121 A148 E149 F150 V165 D166 M167 L203	L119-L153 HydrophobicContact CD1-CD1 4.36Å; L119-L153 HydrophobicContact CD1-CD2 4.4Å; L119-L153 HydrophobicContact CD2-CD1 4.29Å; V121-L153 HydrophobicContact CG1-CD1 4.25Å; V121-L153 HydrophobicContact CG2-CD1 3.9Å; A148-L153 HydrophobicContact CB-CD2 4.11Å; A148-L153 HydrophobicContact CB-CG 4.15Å; E149-L153 WeakPolarHBondContact O-CG 3.35Å; F150-L153 PolarHBondContact O-N 2.89Å; L153-V165 HydrophobicContact CD2-CG1 3.89Å; L153-D166 WeakPolarHBondContact CA-O 3.4Å; L153-M167 HydrophobicContact CD2-CB 4.07Å; L153-M167 HydrophobicContact CD2-CE 4.48Å; L153-M167 HydrophobicContact CD2-CG 4.42Å; L153-L203 HydrophobicContact CB-CD1 4.18Å
154	N	98.4	Very high	97.5	Very high	96 Å²	96	52 Å²	52	51%	0.513	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	168.8	164.4	-157.6	-15.2	0	0	0	108.9	D166	N154-D166 HydrophobicContact CB-CB 4.43Å; N154-D166 PolarHBondContact N-O 3.05Å; N154-D166 PolarHBondContact O-N 3.1Å
155	L	98.6	Very high	97.5	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.157	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.5	175.5	72.8	92.1	0	0	0	113	A157 A164 V165 L203 M207	L155-A157 HydrophobicContact CD1-CB 3.99Å; L155-A164 CarbonylContact C-O 3.12Å; L155-A164 VanDerWaalsContact CA-O 3.27Å; L155-A164 WeakPolarHBondContact CA-O 3.21Å; L155-A164 WeakPolarHBondContact CB-O 3.19Å; L155-V165 HydrophobicContact CB-CG2 4.14Å; L155-L203 HydrophobicContact CD2-CD2 4.38Å; L155-M207 HydrophobicContact CD2-CG 3.79Å
156	V	98.5	Very high	97.5	Very high	69 Å²	69	48.2 Å²	48.2	42%	0.418	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.8	163.2	64.6	0	0	0	0	109.3	Y163 A164	V156-Y163 CarbonylContact O-C 3.58Å; V156-Y163 WeakPolarHBondContact O-CA 3.27Å; V156-Y163 VanDerWaalsContact O-CB 3.24Å; V156-Y163 WeakPolarHBondContact O-CB 3.38Å; V156-A164 HydrophobicContact CG1-CB 4.2Å; V156-A164 PolarHBondContact N-O 2.93Å; V156-A164 PolarHBondContact O-N 2.97Å
157	A	98.3	Very high	97.5	Very high	22 Å²	22	47.8 Å²	47.8	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.7	179.7	0	0	0	0	0	111.2	L155 Y209 A210	L155-A157 HydrophobicContact CD1-CB 3.99Å; A157-Y209 HydrophobicContact CB-CD1 3.84Å; A157-A210 HydrophobicContact CB-CB 3.93Å
158	H	98.1	Very high	97.4	Very high	93 Å²	93	48.8 Å²	48.8	43%	0.431	29%	0.288	S	S	.	.			trans	-128.4	149.9	-173.3	-54.7	-73	0	0	0	110.7	D160 G161 T162	H158-D160 VanDerWaalsContact CB-OD1 3.3Å; H158-D160 WeakPolarHBondContact CB-OD1 3.35Å; H158-D160 PolarHBondContact O-N 3.46Å; H158-D160 VanDerWaalsContact O-N 3.1Å; H158-G161 PolarHBondContact O-N 3.21Å; H158-G161 VanDerWaalsContact O-N 3.07Å; H158-T162 WeakPolarHBondContact CB-O 3.47Å; H158-T162 WeakPolarHBondContact CB-OG1 3.29Å; H158-T162 PolarHBondContact CD2-O 2.86Å; H158-T162 PolarHBondContact CD2-OG1 2.79Å; H158-T162 PolarHBondContact N-O 2.98Å
159	A	96.5	Very high	97	Very high	92 Å²	92	50.5 Å²	50.5	76%	0.76	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.8	-174	0	0	0	0	0	114.5	G161	A159-G161 VanDerWaalsContact C-N 3.31Å
160	D	94.7	Very high	96.5	Very high	111 Å²	111	53.5 Å²	53.5	59%	0.594	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.2	173.3	67.7	-8	0	0	0	113.2	H158 T162	H158-D160 VanDerWaalsContact CB-OD1 3.3Å; H158-D160 WeakPolarHBondContact CB-OD1 3.35Å; H158-D160 PolarHBondContact O-N 3.46Å; H158-D160 VanDerWaalsContact O-N 3.1Å; D160-T162 WeakPolarHBondContact OD1-CB 3.17Å; D160-T162 PolarHBondContact OD1-N 3.01Å; D160-T162 PolarHBondContact OD1-OG1 3.22Å; D160-T162 PolarHBondContact OD2-OG1 3.06Å
161	G	90.9	Very high	96	Very high	38 Å²	38	61.8 Å²	61.8	39%	0.392	35%	0.346	S	S	.	.	S	Bend	trans	83.3	8.4	-175.4	0	0	0	0	0	114	H158 A159 R181	H158-G161 PolarHBondContact O-N 3.21Å; H158-G161 VanDerWaalsContact O-N 3.07Å; A159-G161 VanDerWaalsContact C-N 3.31Å; G161-R181 PolarHBondContact O-NH2 3.47Å
162	T	95.9	Very high	95.5	Very high	54 Å²	54	65.5 Å²	65.5	33%	0.331	36%	0.36	S	S	.	.			trans	-82.9	141.6	166.2	65.9	0	0	0	0	110.9	H158 D160	H158-T162 WeakPolarHBondContact CB-O 3.47Å; H158-T162 WeakPolarHBondContact CB-OG1 3.29Å; H158-T162 PolarHBondContact CD2-O 2.86Å; H158-T162 PolarHBondContact CD2-OG1 2.79Å; H158-T162 PolarHBondContact N-O 2.98Å; D160-T162 WeakPolarHBondContact OD1-CB 3.17Å; D160-T162 PolarHBondContact OD1-N 3.01Å; D160-T162 PolarHBondContact OD1-OG1 3.22Å; D160-T162 PolarHBondContact OD2-OG1 3.06Å
163	Y	98.3	Very high	95.1	Very high	41 Å²	41	64.9 Å²	64.9	16%	0.161	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	164.4	178.4	57.1	-104	0	0	0	109.9	V156 R181 P182 A210 L212	V156-Y163 CarbonylContact O-C 3.58Å; V156-Y163 WeakPolarHBondContact O-CA 3.27Å; V156-Y163 VanDerWaalsContact O-CB 3.24Å; V156-Y163 WeakPolarHBondContact O-CB 3.38Å; Y163-R181 HydrophobicContact CD2-CB 4.35Å; Y163-R181 HydrophobicContact CD2-CG 4.1Å; Y163-R181 HydrophobicContact CE2-CB 3.77Å; Y163-R181 HydrophobicContact CE2-CG 4Å; Y163-R181 WeakPolarHBondContact O-CD 3.34Å; Y163-R181 VanDerWaalsContact O-CG 3.32Å; Y163-R181 WeakPolarHBondContact O-CG 3.5Å; Y163-R181 PolarHBondContact O-NE 3.48Å; Y163-P182 PolarHBondContact OH-O 3.31Å; Y163-A210 HydrophobicContact CD1-CB 3.64Å; Y163-A210 HydrophobicContact CE1-CB 4.23Å; Y163-A210 WeakPolarHBondContact CE1-O 3.15Å; Y163-A210 HydrophobicContact CG-CB 3.83Å; Y163-L212 HydrophobicContact CE1-CD2 4.3Å; Y163-L212 HydrophobicContact CE2-CD2 4.03Å; Y163-L212 WeakPolarHBondContact OH-CD2 3.2Å
164	A	98.3	Very high	94.7	Very high	24 Å²	24	68.5 Å²	68.5	20%	0.198	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.3	163.8	0	0	0	0	0	109.3	L155 V156	L155-A164 CarbonylContact C-O 3.12Å; L155-A164 VanDerWaalsContact CA-O 3.27Å; L155-A164 WeakPolarHBondContact CA-O 3.21Å; L155-A164 WeakPolarHBondContact CB-O 3.19Å; V156-A164 HydrophobicContact CG1-CB 4.2Å; V156-A164 PolarHBondContact N-O 2.93Å; V156-A164 PolarHBondContact O-N 2.97Å
165	V	98.7	Very high	94.3	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.018	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.4	167.3	178.3	0	0	0	0	107.5	L119 L153 L155 S179 F180 P182	L119-V165 HydrophobicContact CD2-CG1 4.26Å; L153-V165 HydrophobicContact CD2-CG1 3.89Å; L155-V165 HydrophobicContact CB-CG2 4.14Å; V165-S179 CarbonylContact O-C 3.55Å; V165-S179 WeakPolarHBondContact O-CA 3.42Å; V165-F180 HydrophobicContact CB-CE1 4.17Å; V165-F180 HydrophobicContact CB-CE2 4.38Å; V165-F180 HydrophobicContact CB-CZ 4.02Å; V165-F180 HydrophobicContact CG1-CE1 3.91Å; V165-F180 HydrophobicContact CG1-CE2 4.47Å; V165-F180 HydrophobicContact CG1-CZ 3.71Å; V165-F180 PolarHBondContact N-O 2.71Å; V165-F180 VanDerWaalsContact O-CD1 3.27Å; V165-F180 WeakPolarHBondContact O-CD1 3.37Å; V165-F180 PolarHBondContact O-N 3.25Å; V165-P182 HydrophobicContact CG2-CG 3.87Å
166	D	98.3	Very high	94.1	Very high	46 Å²	46	72.5 Å²	72.5	25%	0.246	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.7	176.7	-76.6	-35.3	0	0	0	109.5	L153 N154 V177 S179	L153-D166 WeakPolarHBondContact CA-O 3.4Å; N154-D166 HydrophobicContact CB-CB 4.43Å; N154-D166 PolarHBondContact N-O 3.05Å; N154-D166 PolarHBondContact O-N 3.1Å; D166-V177 HydrophobicContact CB-CG1 3.72Å; D166-S179 VanDerWaalsContact OD1-CA 3.3Å; D166-S179 WeakPolarHBondContact OD1-CA 3.32Å; D166-S179 WeakPolarHBondContact OD1-CB 3.13Å; D166-S179 PolarHBondContact OD1-OG 3.38Å
167	M	97.7	Very high	94	Very high	6 Å²	6	73.2 Å²	73.2	3%	0.03	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.8	174.7	176	-167.8	-65.5	0	0	109.6	L119 E146 A148 L153 V169 V177 R178 F180	L119-M167 HydrophobicContact CD1-CE 4.49Å; E146-M167 HydrophobicContact CB-CE 3.87Å; A148-M167 HydrophobicContact CB-CE 3.62Å; A148-M167 HydrophobicContact CB-CG 3.81Å; A148-M167 HydrophobicContact CB-SD 3.98Å; L153-M167 HydrophobicContact CD2-CB 4.07Å; L153-M167 HydrophobicContact CD2-CE 4.48Å; L153-M167 HydrophobicContact CD2-CG 4.42Å; M167-V169 HydrophobicContact CB-CG2 4.46Å; M167-V169 HydrophobicContact CG-CG2 3.61Å; M167-V169 HydrophobicContact SD-CG2 3.59Å; M167-V169 VanDerWaalsContact SD-CG2 3.59Å; M167-V177 CarbonylContact O-C 3.58Å; M167-V177 WeakPolarHBondContact O-CA 3.24Å; M167-R178 PolarHBondContact N-O 2.84Å; M167-R178 PolarHBondContact O-N 2.65Å; M167-F180 HydrophobicContact CB-CE1 3.85Å; M167-F180 HydrophobicContact CE-CE1 3.95Å; M167-F180 HydrophobicContact CE-CZ 4Å
168	Q	95.9	Very high	93.9	Very high	68 Å²	68	77.3 Å²	77.3	32%	0.318	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.6	169	-175.9	166.7	114.2	0	0	109.5	E152 K175	E152-Q168 PolarHBondContact O-N 2.77Å; Q168-K175 HydrophobicContact CG-CB 4.37Å; Q168-K175 HydrophobicContact CG-CG 4.48Å; Q168-K175 VanDerWaalsContact OE1-CD 3.23Å; Q168-K175 VanDerWaalsContact OE1-CE 3.23Å
169	V	90.9	Very high	93.9	Very high	40 Å²	40	76.7 Å²	76.7	24%	0.242	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.7	-179.2	-172.9	0	0	0	0	109.6	M167 R171 V176	M167-V169 HydrophobicContact CB-CG2 4.46Å; M167-V169 HydrophobicContact CG-CG2 3.61Å; M167-V169 HydrophobicContact SD-CG2 3.59Å; M167-V169 VanDerWaalsContact SD-CG2 3.59Å; V169-R171 PolarHBondContact O-N 3.49Å; V169-V176 PolarHBondContact N-O 3.46Å; V169-V176 PolarHBondContact O-N 2.87Å
170	L	87.8	Confident	93.9	Very high	117 Å²	117	73.5 Å²	73.5	61%	0.613	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	116	174.5	-154.8	75.4	0	0	0	110.3	K175	L170-K175 HydrophobicContact CD1-CG 3.67Å
171	R	85.9	Confident	94.1	Very high	177 Å²	177	73.3 Å²	73.3	67%	0.668	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.3	177.5	-170.6	177.9	-174.2	-178.2	1.9	109.7	V169 G173 T174 V176	V169-R171 PolarHBondContact O-N 3.49Å; R171-G173 PolarHBondContact O-N 3.34Å; R171-T174 PolarHBondContact N-O 3.07Å; R171-T174 PolarHBondContact O-N 2.82Å; R171-V176 HydrophobicContact CB-CG2 4.25Å
172	N	88.2	Confident	94.4	Very high	161 Å²	161	71.6 Å²	71.6	86%	0.861	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.5	-178.1	-55.9	9.4	0	0	0	113	T174	N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 3.25Å
173	G	87.9	Confident	94.5	Very high	61 Å²	61	70.8 Å²	70.8	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-12.6	-175.8	0	0	0	0	0	115.3	R171	R171-G173 PolarHBondContact O-N 3.34Å
174	T	90.9	Very high	94.6	Very high	89 Å²	89	68.8 Å²	68.8	55%	0.546	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.4	176.2	-52.2	0	0	0	0	111	R171 N172 V176	R171-T174 PolarHBondContact N-O 3.07Å; R171-T174 PolarHBondContact O-N 2.82Å; N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 3.25Å; T174-V176 HydrophobicContact CG2-CG2 4.2Å; T174-V176 PolarHBondContact O-N 2.86Å
175	K	90.9	Very high	94.6	Very high	145 Å²	145	67.7 Å²	67.7	63%	0.63	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.8	168.5	-74.1	-177.2	161.7	-149.3	0	109.4	Q168 L170	Q168-K175 HydrophobicContact CG-CB 4.37Å; Q168-K175 HydrophobicContact CG-CG 4.48Å; Q168-K175 VanDerWaalsContact OE1-CD 3.23Å; Q168-K175 VanDerWaalsContact OE1-CE 3.23Å; L170-K175 HydrophobicContact CD1-CG 3.67Å
176	V	94.4	Very high	94.6	Very high	66 Å²	66	67.5 Å²	67.5	40%	0.4	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	-179.5	-178.4	0	0	0	0	108.9	V169 R171 T174	V169-V176 PolarHBondContact N-O 3.46Å; V169-V176 PolarHBondContact O-N 2.87Å; R171-V176 HydrophobicContact CB-CG2 4.25Å; T174-V176 HydrophobicContact CG2-CG2 4.2Å; T174-V176 PolarHBondContact O-N 2.86Å
177	V	95.9	Very high	94.6	Very high	84 Å²	84	65.3 Å²	65.3	51%	0.509	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.8	175.1	-179.2	0	0	0	0	110.3	D166 M167	D166-V177 HydrophobicContact CB-CG1 3.72Å; M167-V177 CarbonylContact O-C 3.58Å; M167-V177 WeakPolarHBondContact O-CA 3.24Å
178	R	95.8	Very high	94.7	Very high	108 Å²	108	65.8 Å²	65.8	41%	0.408	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.4	172.8	-178	-159.6	-53.9	140.9	14.5	109.9	E146 M167	E146-R178 IonicContact OE2-CZ 3.42Å; E146-R178 IonicContact OE2-NH1 3.32Å; E146-R178 PolarHBondContact OE2-NH1 3.05Å; M167-R178 PolarHBondContact N-O 2.84Å; M167-R178 PolarHBondContact O-N 2.65Å
179	S	97.3	Very high	94.8	Very high	80 Å²	80	64 Å²	64	56%	0.559	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.9	171.2	-40	0	0	0	0	111.7	V165 D166	V165-S179 CarbonylContact O-C 3.55Å; V165-S179 WeakPolarHBondContact O-CA 3.42Å; D166-S179 VanDerWaalsContact OD1-CA 3.3Å; D166-S179 WeakPolarHBondContact OD1-CA 3.32Å; D166-S179 WeakPolarHBondContact OD1-CB 3.13Å; D166-S179 PolarHBondContact OD1-OG 3.38Å
180	F	97.9	Very high	95.1	Very high	24 Å²	24	65.2 Å²	65.2	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	178.7	172	64.4	-76	0	0	0	110.8	V117 L119 E146 V165 M167 P182	V117-F180 HydrophobicContact CG1-CD2 4.03Å; V117-F180 HydrophobicContact CG1-CE2 4.44Å; L119-F180 HydrophobicContact CB-CE2 4.44Å; L119-F180 HydrophobicContact CD1-CE2 4.49Å; L119-F180 HydrophobicContact CD1-CZ 4.07Å; E146-F180 HydrophobicContact CB-CD2 4.45Å; E146-F180 HydrophobicContact CB-CE2 3.94Å; E146-F180 HydrophobicContact CB-CZ 4.1Å; E146-F180 HydrophobicContact CG-CD2 3.98Å; E146-F180 HydrophobicContact CG-CE2 3.99Å; E146-F180 HydrophobicContact CG-CG 4.39Å; E146-F180 HydrophobicContact CG-CZ 4.43Å; V165-F180 HydrophobicContact CB-CE1 4.17Å; V165-F180 HydrophobicContact CB-CE2 4.38Å; V165-F180 HydrophobicContact CB-CZ 4.02Å; V165-F180 HydrophobicContact CG1-CE1 3.91Å; V165-F180 HydrophobicContact CG1-CE2 4.47Å; V165-F180 HydrophobicContact CG1-CZ 3.71Å; V165-F180 PolarHBondContact N-O 2.71Å; V165-F180 VanDerWaalsContact O-CD1 3.27Å; V165-F180 WeakPolarHBondContact O-CD1 3.37Å; V165-F180 PolarHBondContact O-N 3.25Å; M167-F180 HydrophobicContact CB-CE1 3.85Å; M167-F180 HydrophobicContact CE-CE1 3.95Å; M167-F180 HydrophobicContact CE-CZ 4Å; F180-P182 HydrophobicContact CE2-CB 4.24Å; F180-P182 HydrophobicContact CE2-CG 4.24Å
181	R	98.1	Very high	95.7	Very high	108 Å²	108	60 Å²	60	41%	0.408	31%	0.309	S	S	.	.			trans	-127.8	107.8	174.4	-65.1	-169.2	69.2	163.6	1.6	109.1	G161 Y163	G161-R181 PolarHBondContact O-NH2 3.47Å; Y163-R181 HydrophobicContact CD2-CB 4.35Å; Y163-R181 HydrophobicContact CD2-CG 4.1Å; Y163-R181 HydrophobicContact CE2-CB 3.77Å; Y163-R181 HydrophobicContact CE2-CG 4Å; Y163-R181 WeakPolarHBondContact O-CD 3.34Å; Y163-R181 VanDerWaalsContact O-CG 3.32Å; Y163-R181 WeakPolarHBondContact O-CG 3.5Å; Y163-R181 PolarHBondContact O-NE 3.48Å
182	P	98.3	Very high	96.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.282	C	S	.	.			trans	-71	143.2	171.1	28.2	-31.7	0	0	0	110.8	V117 L119 Y163 V165 F180 L212	V117-P182 HydrophobicContact CG1-CB 4.46Å; L119-P182 HydrophobicContact CB-CB 3.81Å; L119-P182 HydrophobicContact CB-CG 4.27Å; L119-P182 HydrophobicContact CD2-CG 4.49Å; Y163-P182 PolarHBondContact OH-O 3.31Å; V165-P182 HydrophobicContact CG2-CG 3.87Å; F180-P182 HydrophobicContact CE2-CB 4.24Å; F180-P182 HydrophobicContact CE2-CG 4.24Å; P182-L212 HydrophobicContact CG-CD1 4.02Å; P182-L212 HydrophobicContact CG-CD2 4.13Å; P182-L212 WeakPolarHBondContact O-CD2 3.45Å
183	D	98.1	Very high	96.7	Very high	37 Å²	37	45 Å²	45	20%	0.198	24%	0.242	C	C	.	.	S	Bend	trans	-82.6	-26.8	166	-69	-90.8	0	0	0	111.7	K116 V117 P213 L420	K116-D183 WeakPolarHBondContact CA-OD2 3.49Å; K116-D183 HydrophobicContact CB-CB 4.49Å; K116-D183 HydrophobicContact CD-CB 3.96Å; K116-D183 WeakPolarHBondContact CD-OD1 3.34Å; K116-D183 VanDerWaalsContact CD-OD2 3.28Å; K116-D183 WeakPolarHBondContact CD-OD2 3.19Å; K116-D183 IonicContact NZ-OD1 3.75Å; K116-D183 PolarHBondContact NZ-OD1 3.02Å; V117-D183 PolarHBondContact N-OD2 2.92Å; V117-D183 PolarHBondContact O-N 3.4Å; D183-P213 WeakPolarHBondContact O-CD 3.4Å; D183-P213 VanDerWaalsContact O-CG 3.23Å; D183-P213 WeakPolarHBondContact O-CG 3.44Å; D183-L420 HydrophobicContact CB-CD1 4.04Å; D183-L420 HydrophobicContact CB-CD2 4.28Å; D183-L420 WeakPolarHBondContact O-CD2 3.13Å
184	F	98.8	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.6	-174.9	-158.9	-82.1	0	0	0	110.7	V117 L118 L119 P213 I215 V412 K415 M416 L419	V117-F184 PolarHBondContact O-N 3.44Å; L118-F184 HydrophobicContact CD1-CB 4.08Å; L118-F184 HydrophobicContact CD1-CD1 3.76Å; L118-F184 HydrophobicContact CD1-CG 4.36Å; L119-F184 PolarHBondContact N-O 2.63Å; F184-P213 WeakPolarHBondContact CA-O 3.31Å; F184-P213 HydrophobicContact CD2-CB 3.86Å; F184-P213 HydrophobicContact CD2-CG 3.67Å; F184-P213 HydrophobicContact CE2-CB 3.87Å; F184-P213 HydrophobicContact CE2-CG 4.21Å; F184-P213 HydrophobicContact CG-CG 4.37Å; F184-I215 HydrophobicContact CE1-CB 4.48Å; F184-I215 HydrophobicContact CE1-CD1 3.97Å; F184-I215 HydrophobicContact CE1-CG1 4.1Å; F184-I215 HydrophobicContact CZ-CD1 4.01Å; F184-I215 HydrophobicContact CZ-CG1 4.03Å; F184-V412 HydrophobicContact CD1-CG1 4.36Å; F184-V412 HydrophobicContact CE1-CG1 4.4Å; F184-K415 HydrophobicContact CE2-CB 4Å; F184-K415 HydrophobicContact CZ-CB 3.7Å; F184-M416 HydrophobicContact CB-CE 4.01Å; F184-M416 HydrophobicContact CB-CG 3.83Å; F184-M416 HydrophobicContact CB-SD 4.21Å; F184-M416 HydrophobicContact CD1-CG 4.07Å; F184-M416 HydrophobicContact CD2-CB 4.36Å; F184-M416 HydrophobicContact CD2-CG 3.49Å; F184-M416 VanDerWaalsContact CD2-CG 3.49Å; F184-M416 HydrophobicContact CE2-CG 4.02Å; F184-M416 HydrophobicContact CG-CG 3.53Å; F184-M416 HydrophobicContact CG-SD 4.37Å; F184-L419 HydrophobicContact CE2-CD1 4.17Å
185	V	98.8	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.9	177.7	-166	0	0	0	0	112.1	L119 V121 I187 M207 L212 P213 S214 I215	L119-V185 HydrophobicContact CB-CG1 4.25Å; L119-V185 HydrophobicContact CB-CG2 4.4Å; L119-V185 HydrophobicContact CD2-CG1 4.16Å; L119-V185 HydrophobicContact CG-CG1 4.12Å; L119-V185 CarbonylContact O-C 3.58Å; L119-V185 WeakPolarHBondContact O-CA 3.25Å; V121-V185 HydrophobicContact CG2-CG1 4.09Å; V185-I187 HydrophobicContact CG1-CD1 4.28Å; V185-I187 HydrophobicContact CG1-CG1 3.84Å; V185-M207 HydrophobicContact CG1-SD 4.11Å; V185-M207 HydrophobicContact CG2-SD 4.27Å; V185-L212 HydrophobicContact CG2-CB 4.16Å; V185-L212 HydrophobicContact CG2-CD1 4.01Å; V185-P213 PolarHBondContact N-O 2.85Å; V185-S214 CarbonylContact O-C 3.5Å; V185-S214 WeakPolarHBondContact O-CA 3.27Å; V185-S214 WeakPolarHBondContact O-CB 3.37Å; V185-S214 PolarHBondContact O-OG 2.95Å; V185-I215 PolarHBondContact O-N 3.3Å; V185-I215 VanDerWaalsContact O-N 3.07Å
186	L	98.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	164.9	170.8	65	0	0	0	108.5	L118 L119 V120 V121 W128 R188 I215 I408 V412	L118-L186 HydrophobicContact CD1-CB 4.37Å; L119-L186 PolarHBondContact O-N 3.12Å; V120-L186 WeakPolarHBondContact CA-O 3.47Å; V120-L186 HydrophobicContact CG1-CB 4.41Å; V120-L186 HydrophobicContact CG1-CD2 3.96Å; V120-L186 HydrophobicContact CG1-CG 4.28Å; V120-L186 HydrophobicContact CG2-CB 4.29Å; V120-L186 HydrophobicContact CG2-CD2 4.29Å; V121-L186 PolarHBondContact N-O 3.07Å; W128-L186 HydrophobicContact CD2-CD2 4.35Å; W128-L186 HydrophobicContact CE3-CD2 4.2Å; W128-L186 HydrophobicContact CH2-CD2 4.18Å; W128-L186 HydrophobicContact CZ2-CD2 4.33Å; W128-L186 HydrophobicContact CZ3-CD2 4.12Å; L186-R188 HydrophobicContact CD1-CG 4.39Å; L186-R188 HydrophobicContact CD2-CG 4.29Å; L186-R188 HydrophobicContact CG-CG 4.02Å; L186-I215 HydrophobicContact CD1-CB 4.16Å; L186-I215 HydrophobicContact CD1-CG2 4.02Å; L186-I408 HydrophobicContact CD1-CG2 3.88Å; L186-I408 HydrophobicContact CD2-CG2 3.78Å; L186-V412 HydrophobicContact CB-CG2 4.31Å; L186-V412 HydrophobicContact CD1-CG2 4.02Å; L186-V412 HydrophobicContact CD2-CG2 4.16Å; L186-V412 HydrophobicContact CG-CG2 4.38Å
187	I	98.8	Very high	97.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.3	179.8	-67.4	170.4	0	0	0	110.1	V121 F150 V185 I204 M207 I215 L218 I221 C392	V121-I187 HydrophobicContact CB-CG1 4.38Å; V121-I187 HydrophobicContact CG2-CG1 4.27Å; F150-I187 HydrophobicContact CE2-CG2 4.08Å; F150-I187 HydrophobicContact CZ-CD1 4.31Å; F150-I187 HydrophobicContact CZ-CG1 4.36Å; F150-I187 HydrophobicContact CZ-CG2 3.8Å; V185-I187 HydrophobicContact CG1-CD1 4.28Å; V185-I187 HydrophobicContact CG1-CG1 3.84Å; I187-I204 HydrophobicContact CD1-CD1 3.66Å; I187-M207 HydrophobicContact CD1-SD 4.44Å; I187-I215 PolarHBondContact N-O 3.09Å; I187-I215 VanDerWaalsContact N-O 3.07Å; I187-L218 HydrophobicContact CD1-CD2 3.65Å; I187-I221 HydrophobicContact CB-CD1 3.89Å; I187-I221 HydrophobicContact CD1-CD1 3.65Å; I187-I221 HydrophobicContact CG1-CD1 4.29Å; I187-I221 HydrophobicContact CG2-CD1 4.15Å; I187-C392 WeakPolarHBondContact O-CB 3.41Å; I187-C392 PolarHBondContact O-SG 3.01Å
188	R	98.6	Very high	97.5	Very high	16 Å²	16	46.7 Å²	46.7	6%	0.06	23%	0.23	C	C	.	.			trans	-132.6	-22.7	-174	-68	-70.8	-56.1	133.6	17	113.6	V121 D122 W128 L186 C392 S393 M394	V121-R188 WeakPolarHBondContact O-CA 3.29Å; V121-R188 WeakPolarHBondContact O-CB 3.39Å; V121-R188 PolarHBondContact O-N 2.98Å; D122-R188 HydrophobicContact CB-CB 3.58Å; D122-R188 HydrophobicContact CB-CG 4.03Å; D122-R188 WeakPolarHBondContact OD1-CB 3.09Å; D122-R188 WeakPolarHBondContact OD2-CB 3.48Å; D122-R188 WeakPolarHBondContact OD2-CG 3.32Å; D122-R188 IonicContact OD2-NE 2.71Å; W128-R188 HydrophobicContact CZ2-CG 4.24Å; L186-R188 HydrophobicContact CD1-CG 4.39Å; L186-R188 HydrophobicContact CD2-CG 4.29Å; L186-R188 HydrophobicContact CG-CG 4.02Å; R188-C392 PolarHBondContact NH1-O 2.87Å; R188-S393 VanDerWaalsContact O-CA 3.31Å; R188-S393 WeakPolarHBondContact O-CA 3.39Å; R188-M394 VanDerWaalsContact CZ-O 3.3Å; R188-M394 PolarHBondContact NH1-O 2.94Å; R188-M394 PolarHBondContact NH2-O 3.13Å
189	Q	98.2	Very high	97.7	Very high	29 Å²	29	44.6 Å²	44.6	14%	0.136	23%	0.227	C	C	.	.	S	Bend	trans	-80.6	161.1	166.3	-67.5	-169.9	-43.9	0	0	112	V121 E149 F150 S393	V121-Q189 PolarHBondContact O-N 3.04Å; V121-Q189 VanDerWaalsContact O-N 3.13Å; E149-Q189 PolarHBondContact OE2-NE2 3.41Å; F150-Q189 HydrophobicContact CD2-CB 3.74Å; F150-Q189 HydrophobicContact CE2-CB 3.95Å; Q189-S393 WeakPolarHBondContact O-CB 3.47Å
190	H	98.5	Very high	97.7	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.306	21%	0.207	S	C	.	.			trans	-70.8	129.8	170.5	-60.9	-50.7	0	0	0	110.6	F192 H276 S393	H190-F192 VanDerWaalsContact C-N 3.32Å; H190-H276 AromaticContact CD2-CD2 3.26Å; H190-H276 PolarHBondContact CD2-CD2 3.05Å; H190-H276 AromaticContact CD2-CE1 3.98Å; H190-H276 AromaticContact CD2-CG 3.34Å; H190-H276 AromaticContact CD2-ND1 3.89Å; H190-H276 AromaticContact CD2-NE2 3.69Å; H190-H276 AromaticContact CE1-CE1 3.95Å; H190-H276 AromaticContact CE1-CG 3.95Å; H190-H276 AromaticContact CE1-ND1 3.76Å; H190-H276 AromaticContact CG-CD2 3.56Å; H190-H276 AromaticContact CG-CE1 3.76Å; H190-H276 AromaticContact CG-CG 3.89Å; H190-H276 AromaticContact CG-NE2 3.47Å; H190-H276 AromaticContact ND1-CE1 3.73Å; H190-H276 AromaticContact ND1-NE2 3.92Å; H190-H276 AromaticContact NE2-CD2 3.83Å; H190-H276 AromaticContact NE2-CG 3.39Å; H190-H276 AromaticContact NE2-ND1 3.66Å; H190-S393 PolarHBondContact CE1-OG 2.92Å; H190-S393 WeakPolarHBondContact ND1-CB 3.3Å; H190-S393 PolarHBondContact ND1-OG 3.3Å
191	A	98.5	Very high	97.8	Very high	8 Å²	8	44.6 Å²	44.6	7%	0.066	22%	0.215	C	C	.	.	S	Bend	trans	-78.7	-12.5	177.3	0	0	0	0	0	114.3	F150 F200 R201 I204 I221	F150-A191 HydrophobicContact CE2-CB 4.25Å; F150-A191 HydrophobicContact CZ-CB 4.23Å; A191-F200 CarbonylContact O-C 3.56Å; A191-F200 WeakPolarHBondContact O-CA 3.38Å; A191-F200 WeakPolarHBondContact O-CB 3.42Å; A191-F200 PolarHBondContact O-N 3Å; A191-R201 PolarHBondContact O-N 2.96Å; A191-I204 HydrophobicContact CB-CD1 3.95Å; A191-I204 HydrophobicContact CB-CG1 3.66Å; A191-I221 HydrophobicContact CB-CG2 3.75Å
192	F	98.7	Very high	97.8	Very high	21 Å²	21	44.8 Å²	44.8	9%	0.092	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-151.1	139.4	176.7	-174.9	-118.3	0	0	0	112.1	H190 M194 E198 D199 R201 C225 H274 H276	H190-F192 VanDerWaalsContact C-N 3.32Å; F192-M194 HydrophobicContact CE1-CG 4.06Å; F192-M194 HydrophobicContact CZ-CG 3.93Å; F192-E198 CarbonylContact C-O 3.56Å; F192-E198 VanDerWaalsContact CA-O 3.32Å; F192-E198 WeakPolarHBondContact CA-O 3.12Å; F192-D199 HydrophobicContact CD2-CB 3.93Å; F192-D199 WeakPolarHBondContact CD2-OD1 3.41Å; F192-D199 HydrophobicContact CE2-CB 3.96Å; F192-R201 HydrophobicContact CB-CG 3.89Å; F192-R201 HydrophobicContact CD2-CG 4Å; F192-R201 VanDerWaalsContact CD2-NE 3.32Å; F192-R201 VanDerWaalsContact CE2-CZ 3.44Å; F192-R201 HydrophobicContact CG-CG 4.16Å; F192-C225 HydrophobicContact CB-CB 3.9Å; F192-C225 HydrophobicContact CD1-CB 4.38Å; F192-C225 WeakPolarHBondContact CD1-O 3.36Å; F192-C225 HydrophobicContact CG-CB 4.38Å; F192-H274 HydrophobicContact CD1-CB 3.72Å; F192-H274 AromaticContact CD1-CG 3.68Å; F192-H274 AromaticContact CD1-ND1 3.85Å; F192-H274 HydrophobicContact CE1-CB 3.55Å; F192-H276 PolarHBondContact O-NE2 3.29Å
193	G	97.6	Very high	97.8	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	22%	0.221	C	C	.	.			trans	-149.5	157.9	161	0	0	0	0	0	109.8	A195 E198	G193-A195 VanDerWaalsContact C-N 3.32Å; G193-E198 WeakPolarHBondContact CA-OE2 3.3Å; G193-E198 PolarHBondContact N-O 3.42Å
194	M	96.6	Very high	97.9	Very high	87 Å²	87	43.1 Å²	43.1	43%	0.429	21%	0.211	S	C	.	.	S	Bend	trans	-87.4	5.6	179.8	-71.9	-163.7	64.6	0	0	114.2	F192 H274 T302	F192-M194 HydrophobicContact CE1-CG 4.06Å; F192-M194 HydrophobicContact CZ-CG 3.93Å; M194-H274 WeakPolarHBondContact CB-O 3.35Å; M194-H274 HydrophobicContact CG-CB 4.08Å; M194-H274 WeakPolarHBondContact CG-O 3.46Å; M194-H274 PolarHBondContact N-O 3.17Å; M194-H274 PolarHBondContact SD-N 2.85Å; M194-H274 VanDerWaalsContact SD-N 3.44Å; M194-T302 HydrophobicContact CE-CG2 3.75Å; M194-T302 HydrophobicContact SD-CG2 3.86Å
195	A	94.8	Very high	97.9	Very high	33 Å²	33	47.5 Å²	47.5	27%	0.273	23%	0.234	S	C	.	.	S	Bend	trans	-78	167.6	169.8	0	0	0	0	0	111.2	G193 N197 E198 M279	G193-A195 VanDerWaalsContact C-N 3.32Å; A195-N197 PolarHBondContact O-N 3.23Å; A195-E198 HydrophobicContact CB-CG 4.06Å; A195-E198 WeakPolarHBondContact CB-OE2 3.48Å; A195-E198 PolarHBondContact O-N 3.35Å; A195-M279 HydrophobicContact CB-CE 4.14Å; A195-M279 HydrophobicContact CB-SD 4.17Å
196	E	94.2	Very high	97.9	Very high	167 Å²	167	48 Å²	48	78%	0.78	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.1	179	-154.7	-160.5	125.4	0	0	110.7	E198	E196-E198 VanDerWaalsContact C-N 3.32Å; E196-E198 PolarHBondContact O-N 2.83Å
197	N	95	Very high	97.9	Very high	125 Å²	125	48.1 Å²	48.1	67%	0.668	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	20.2	179.7	-47	-70.5	0	0	0	116.1	A195 F200	A195-N197 PolarHBondContact O-N 3.23Å; N197-F200 WeakPolarHBondContact O-CZ 3.32Å
198	E	96.9	Very high	97.8	Very high	69 Å²	69	53.2 Å²	53.2	32%	0.322	26%	0.264	S	S	.	.			trans	-99.4	9.5	175.4	-69.2	-171.3	165.7	0	0	115.2	F192 G193 A195 E196	F192-E198 CarbonylContact C-O 3.56Å; F192-E198 VanDerWaalsContact CA-O 3.32Å; F192-E198 WeakPolarHBondContact CA-O 3.12Å; G193-E198 WeakPolarHBondContact CA-OE2 3.3Å; G193-E198 PolarHBondContact N-O 3.42Å; A195-E198 HydrophobicContact CB-CG 4.06Å; A195-E198 WeakPolarHBondContact CB-OE2 3.48Å; A195-E198 PolarHBondContact O-N 3.35Å; E196-E198 VanDerWaalsContact C-N 3.32Å; E196-E198 PolarHBondContact O-N 2.83Å
199	D	98.4	Very high	97.8	Very high	63 Å²	63	59.3 Å²	59.3	34%	0.337	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-97.8	91	-179.5	-169.5	-3.9	0	0	0	114.1	F192 R201 H202	F192-D199 HydrophobicContact CD2-CB 3.93Å; F192-D199 WeakPolarHBondContact CD2-OD1 3.41Å; F192-D199 HydrophobicContact CE2-CB 3.96Å; D199-R201 WeakPolarHBondContact OD1-CB 3.36Å; D199-R201 VanDerWaalsContact OD1-CG 3.27Å; D199-R201 WeakPolarHBondContact OD1-CG 3.24Å; D199-R201 IonicContact OD1-CZ 2.61Å; D199-R201 PolarHBondContact OD1-N 2.97Å; D199-R201 IonicContact OD1-NE 2.63Å; D199-R201 PolarHBondContact OD1-NE 3.22Å; D199-R201 IonicContact OD1-NH2 2.71Å; D199-R201 IonicContact OD2-CZ 3.82Å; D199-R201 IonicContact OD2-NE 3.63Å; D199-R201 PolarHBondContact OD2-NE 3.2Å; D199-R201 IonicContact OD2-NH2 3.88Å; D199-R201 PolarHBondContact OD2-NH2 2.93Å; D199-H202 PolarHBondContact O-CE1 3.4Å; D199-H202 PolarHBondContact O-ND1 2.57Å
200	F	98.8	Very high	97.8	Very high	32 Å²	32	58.5 Å²	58.5	14%	0.14	29%	0.286	C	S	.	.			trans	-102	11.7	179.8	-51.6	-64.2	0	0	0	113.7	F150 A191 N197 H202 L203 I204	F150-F200 HydrophobicContact CB-CB 3.96Å; F150-F200 HydrophobicContact CB-CD1 3.57Å; F150-F200 HydrophobicContact CB-CD2 3.53Å; F150-F200 HydrophobicContact CB-CE1 3.86Å; F150-F200 HydrophobicContact CB-CE2 3.82Å; F150-F200 HydrophobicContact CB-CG 3.39Å; F150-F200 HydrophobicContact CB-CZ 3.97Å; F150-F200 HydrophobicContact CD1-CB 3.95Å; F150-F200 HydrophobicContact CD1-CG 4.34Å; F150-F200 HydrophobicContact CD2-CB 4.2Å; F150-F200 AromaticContact CD2-CD2 3.88Å; F150-F200 HydrophobicContact CD2-CD2 3.88Å; F150-F200 HydrophobicContact CD2-CG 4.18Å; F150-F200 HydrophobicContact CE1-CB 4.48Å; F150-F200 HydrophobicContact CG-CB 3.81Å; F150-F200 HydrophobicContact CG-CD1 4.38Å; F150-F200 AromaticContact CG-CD2 3.89Å; F150-F200 HydrophobicContact CG-CD2 3.89Å; F150-F200 AromaticContact CG-CG 3.77Å; F150-F200 HydrophobicContact CG-CG 3.77Å; A191-F200 CarbonylContact O-C 3.56Å; A191-F200 WeakPolarHBondContact O-CA 3.38Å; A191-F200 WeakPolarHBondContact O-CB 3.42Å; A191-F200 PolarHBondContact O-N 3Å; N197-F200 WeakPolarHBondContact O-CZ 3.32Å; F200-H202 PolarHBondContact O-N 2.8Å; F200-H202 VanDerWaalsContact O-N 3.13Å; F200-L203 HydrophobicContact CB-CD1 4.4Å; F200-L203 HydrophobicContact CD1-CD1 4.37Å; F200-L203 WeakPolarHBondContact O-CB 3.37Å; F200-L203 PolarHBondContact O-N 3.05Å; F200-I204 PolarHBondContact O-N 3.06Å
201	R	98.8	Very high	97.8	Very high	73 Å²	73	58.2 Å²	58.2	28%	0.275	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-31	-178.9	-63.3	178.3	-65.3	175.8	-0.2	112.7	A191 F192 D199 L203 I204 I205 C225	A191-R201 PolarHBondContact O-N 2.96Å; F192-R201 HydrophobicContact CB-CG 3.89Å; F192-R201 HydrophobicContact CD2-CG 4Å; F192-R201 VanDerWaalsContact CD2-NE 3.32Å; F192-R201 VanDerWaalsContact CE2-CZ 3.44Å; F192-R201 HydrophobicContact CG-CG 4.16Å; D199-R201 WeakPolarHBondContact OD1-CB 3.36Å; D199-R201 VanDerWaalsContact OD1-CG 3.27Å; D199-R201 WeakPolarHBondContact OD1-CG 3.24Å; D199-R201 IonicContact OD1-CZ 2.61Å; D199-R201 PolarHBondContact OD1-N 2.97Å; D199-R201 IonicContact OD1-NE 2.63Å; D199-R201 PolarHBondContact OD1-NE 3.22Å; D199-R201 IonicContact OD1-NH2 2.71Å; D199-R201 IonicContact OD2-CZ 3.82Å; D199-R201 IonicContact OD2-NE 3.63Å; D199-R201 PolarHBondContact OD2-NE 3.2Å; D199-R201 IonicContact OD2-NH2 3.88Å; D199-R201 PolarHBondContact OD2-NH2 2.93Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 3.37Å; R201-I204 PolarHBondContact O-N 3.34Å; R201-I205 WeakPolarHBondContact O-CG1 3.33Å; R201-I205 PolarHBondContact O-N 2.8Å; R201-C225 HydrophobicContact CG-CB 4.25Å
202	H	98.7	Very high	97.8	Very high	111 Å²	111	58.2 Å²	58.2	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-34.9	174.6	65.6	-85.9	0	0	0	112.8	D199 F200 G206	D199-H202 PolarHBondContact O-CE1 3.4Å; D199-H202 PolarHBondContact O-ND1 2.57Å; F200-H202 PolarHBondContact O-N 2.8Å; F200-H202 VanDerWaalsContact O-N 3.13Å; H202-G206 PolarHBondContact O-N 3Å
203	L	98.8	Very high	97.7	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-71.4	-39.8	173.7	-60.5	178.2	0	0	0	111.4	F150 L153 L155 F200 R201 G206 M207	F150-L203 HydrophobicContact CB-CD1 4.4Å; F150-L203 HydrophobicContact CD1-CB 4.45Å; F150-L203 HydrophobicContact CD1-CD1 3.8Å; L153-L203 HydrophobicContact CB-CD1 4.18Å; L155-L203 HydrophobicContact CD2-CD2 4.38Å; F200-L203 HydrophobicContact CB-CD1 4.4Å; F200-L203 HydrophobicContact CD1-CD1 4.37Å; F200-L203 WeakPolarHBondContact O-CB 3.37Å; F200-L203 PolarHBondContact O-N 3.05Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 3.37Å; L203-G206 PolarHBondContact O-N 3.47Å; L203-M207 VanDerWaalsContact O-CG 3.29Å; L203-M207 WeakPolarHBondContact O-CG 3.38Å; L203-M207 PolarHBondContact O-N 2.92Å
204	I	98.9	Very high	97.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-46.8	175.2	-56.3	-56.4	0	0	0	111.3	F150 I187 A191 F200 R201 G206 M207 Q208 L218 I221	F150-I204 HydrophobicContact CE1-CD1 3.97Å; F150-I204 HydrophobicContact CZ-CD1 3.82Å; I187-I204 HydrophobicContact CD1-CD1 3.66Å; A191-I204 HydrophobicContact CB-CD1 3.95Å; A191-I204 HydrophobicContact CB-CG1 3.66Å; F200-I204 PolarHBondContact O-N 3.06Å; R201-I204 PolarHBondContact O-N 3.34Å; I204-G206 VanDerWaalsContact C-N 3.29Å; I204-G206 PolarHBondContact O-N 3.44Å; I204-M207 PolarHBondContact O-N 2.8Å; I204-Q208 WeakPolarHBondContact O-CB 3.38Å; I204-Q208 PolarHBondContact O-N 2.84Å; I204-L218 HydrophobicContact CG2-CB 4.29Å; I204-L218 HydrophobicContact CG2-CD2 4.49Å; I204-I221 HydrophobicContact CD1-CG2 3.9Å; I204-I221 HydrophobicContact CG1-CG2 4.2Å
205	I	98.9	Very high	97.9	Very high	91 Å²	91	55 Å²	55	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-45.5	173.8	-66.8	163.7	0	0	0	110.1	R201 Q208 Y209 Y222	R201-I205 WeakPolarHBondContact O-CG1 3.33Å; R201-I205 PolarHBondContact O-N 2.8Å; I205-Q208 PolarHBondContact O-N 3.21Å; I205-Y209 WeakPolarHBondContact O-CB 3.27Å; I205-Y209 PolarHBondContact O-N 2.95Å; I205-Y222 HydrophobicContact CD1-CE2 3.99Å; I205-Y222 HydrophobicContact CG1-CD2 4.18Å; I205-Y222 HydrophobicContact CG1-CE2 3.88Å
206	G	98.7	Very high	98.1	Very high	12 Å²	12	53.5 Å²	53.5	12%	0.124	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-41.9	179	0	0	0	0	0	114.2	H202 L203 I204 Y209 A210	H202-G206 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 3.47Å; I204-G206 VanDerWaalsContact C-N 3.29Å; I204-G206 PolarHBondContact O-N 3.44Å; G206-Y209 PolarHBondContact O-N 3.19Å; G206-A210 WeakPolarHBondContact O-CB 3.29Å; G206-A210 PolarHBondContact O-N 3.03Å
207	M	98.7	Very high	98.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-37.7	175.3	-68.8	178.6	-171.5	0	0	111.7	L119 L155 V185 I187 L203 I204 A210 G211 L212 L218	L119-M207 HydrophobicContact CD2-CE 4.03Å; L155-M207 HydrophobicContact CD2-CG 3.79Å; V185-M207 HydrophobicContact CG1-SD 4.11Å; V185-M207 HydrophobicContact CG2-SD 4.27Å; I187-M207 HydrophobicContact CD1-SD 4.44Å; L203-M207 VanDerWaalsContact O-CG 3.29Å; L203-M207 WeakPolarHBondContact O-CG 3.38Å; L203-M207 PolarHBondContact O-N 2.92Å; I204-M207 PolarHBondContact O-N 2.8Å; M207-A210 PolarHBondContact O-N 3.41Å; M207-G211 PolarHBondContact O-N 3.03Å; M207-L212 HydrophobicContact CB-CB 4.46Å; M207-L212 HydrophobicContact CB-CD1 4.02Å; M207-L212 HydrophobicContact CG-CD1 3.98Å; M207-L212 WeakPolarHBondContact O-CB 3.3Å; M207-L212 PolarHBondContact O-N 3.41Å; M207-L218 HydrophobicContact CB-CD1 3.6Å; M207-L218 HydrophobicContact CB-CD2 4.31Å
208	Q	98.6	Very high	98.5	Very high	107 Å²	107	41.7 Å²	41.7	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-40.6	175.2	179.6	64.8	13.9	0	0	111.1	I204 I205 A210 G211 L218	I204-Q208 WeakPolarHBondContact O-CB 3.38Å; I204-Q208 PolarHBondContact O-N 2.84Å; I205-Q208 PolarHBondContact O-N 3.21Å; Q208-A210 VanDerWaalsContact C-N 3.31Å; Q208-A210 PolarHBondContact O-N 3.5Å; Q208-G211 PolarHBondContact O-N 2.85Å; Q208-L218 HydrophobicContact CB-CB 4.34Å; Q208-L218 HydrophobicContact CB-CD1 4.15Å
209	Y	98.4	Very high	98.6	Very high	145 Å²	145	43.9 Å²	43.9	57%	0.569	23%	0.23	S	C	*	.	H	α-helix	trans	-65	-34.3	174.8	-164.7	-82.6	0	0	0	112.2	A157 I205 G206 G211	A157-Y209 HydrophobicContact CB-CD1 3.84Å; I205-Y209 WeakPolarHBondContact O-CB 3.27Å; I205-Y209 PolarHBondContact O-N 2.95Å; G206-Y209 PolarHBondContact O-N 3.19Å; Y209-G211 PolarHBondContact O-N 3.21Å
210	A	98.2	Very high	98.6	Very high	12 Å²	12	40.9 Å²	40.9	10%	0.099	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.5	171.4	0	0	0	0	0	114.1	A157 Y163 G206 M207 Q208 L212	A157-A210 HydrophobicContact CB-CB 3.93Å; Y163-A210 HydrophobicContact CD1-CB 3.64Å; Y163-A210 HydrophobicContact CE1-CB 4.23Å; Y163-A210 WeakPolarHBondContact CE1-O 3.15Å; Y163-A210 HydrophobicContact CG-CB 3.83Å; G206-A210 WeakPolarHBondContact O-CB 3.29Å; G206-A210 PolarHBondContact O-N 3.03Å; M207-A210 PolarHBondContact O-N 3.41Å; Q208-A210 VanDerWaalsContact C-N 3.31Å; Q208-A210 PolarHBondContact O-N 3.5Å; A210-L212 HydrophobicContact CB-CD1 4.23Å; A210-L212 HydrophobicContact CB-CG 4.02Å
211	G	97.4	Very high	98.6	Very high	60 Å²	60	39.5 Å²	39.5	62%	0.619	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	26.8	-178.3	0	0	0	0	0	114.3	M207 Q208 Y209	M207-G211 PolarHBondContact O-N 3.03Å; Q208-G211 PolarHBondContact O-N 2.85Å; Y209-G211 PolarHBondContact O-N 3.21Å
212	L	97.9	Very high	98.6	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	22%	0.217	C	C	.	.			trans	-75	125.6	-175.5	-71	173.3	0	0	0	112.2	Y163 P182 V185 M207 A210 L218	Y163-L212 HydrophobicContact CE1-CD2 4.3Å; Y163-L212 HydrophobicContact CE2-CD2 4.03Å; Y163-L212 WeakPolarHBondContact OH-CD2 3.2Å; P182-L212 HydrophobicContact CG-CD1 4.02Å; P182-L212 HydrophobicContact CG-CD2 4.13Å; P182-L212 WeakPolarHBondContact O-CD2 3.45Å; V185-L212 HydrophobicContact CG2-CB 4.16Å; V185-L212 HydrophobicContact CG2-CD1 4.01Å; M207-L212 HydrophobicContact CB-CB 4.46Å; M207-L212 HydrophobicContact CB-CD1 4.02Å; M207-L212 HydrophobicContact CG-CD1 3.98Å; M207-L212 WeakPolarHBondContact O-CB 3.3Å; M207-L212 PolarHBondContact O-N 3.41Å; A210-L212 HydrophobicContact CB-CD1 4.23Å; A210-L212 HydrophobicContact CB-CG 4.02Å; L212-L218 WeakPolarHBondContact O-CD1 3.38Å
213	P	98.3	Very high	98.6	Very high	33 Å²	33	38 Å²	38	21%	0.214	20%	0.202	C	C	.	.			trans	-72.9	142.7	171.1	30.9	-33.5	0	0	0	110.7	D183 F184 V185 L419 L420	D183-P213 WeakPolarHBondContact O-CD 3.4Å; D183-P213 VanDerWaalsContact O-CG 3.23Å; D183-P213 WeakPolarHBondContact O-CG 3.44Å; F184-P213 WeakPolarHBondContact CA-O 3.31Å; F184-P213 HydrophobicContact CD2-CB 3.86Å; F184-P213 HydrophobicContact CD2-CG 3.67Å; F184-P213 HydrophobicContact CE2-CB 3.87Å; F184-P213 HydrophobicContact CE2-CG 4.21Å; F184-P213 HydrophobicContact CG-CG 4.37Å; V185-P213 PolarHBondContact N-O 2.85Å; P213-L419 HydrophobicContact CB-CB 4.33Å; P213-L419 HydrophobicContact CB-CD1 3.87Å; P213-L420 HydrophobicContact CG-CD2 3.95Å
214	S	98.8	Very high	98.6	Very high	11 Å²	11	38.8 Å²	38.8	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	162.7	-174.2	-166.8	0	0	0	0	114.3	V185 N216	V185-S214 CarbonylContact O-C 3.5Å; V185-S214 WeakPolarHBondContact O-CA 3.27Å; V185-S214 WeakPolarHBondContact O-CB 3.37Å; V185-S214 PolarHBondContact O-OG 2.95Å; S214-N216 CarbonylContact C-O 3.49Å; S214-N216 VanDerWaalsContact CB-O 3.29Å; S214-N216 WeakPolarHBondContact CB-O 3.26Å; S214-N216 CarbonylContact O-C 3.55Å; S214-N216 PolarHBondContact OG-O 3.36Å
215	I	98.8	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.2	161.6	-74.2	155.1	0	0	0	108.9	F184 V185 L186 I187 D370 I371 L411 V412 K415	F184-I215 HydrophobicContact CE1-CB 4.48Å; F184-I215 HydrophobicContact CE1-CD1 3.97Å; F184-I215 HydrophobicContact CE1-CG1 4.1Å; F184-I215 HydrophobicContact CZ-CD1 4.01Å; F184-I215 HydrophobicContact CZ-CG1 4.03Å; V185-I215 PolarHBondContact O-N 3.3Å; V185-I215 VanDerWaalsContact O-N 3.07Å; L186-I215 HydrophobicContact CD1-CB 4.16Å; L186-I215 HydrophobicContact CD1-CG2 4.02Å; I187-I215 PolarHBondContact N-O 3.09Å; I187-I215 VanDerWaalsContact N-O 3.07Å; I215-D370 HydrophobicContact CG2-CB 4.14Å; I215-I371 HydrophobicContact CG2-CD1 3.56Å; I215-I371 HydrophobicContact CG2-CG1 3.93Å; I215-L411 HydrophobicContact CD1-CG 4.14Å; I215-V412 HydrophobicContact CD1-CB 4.1Å; I215-V412 HydrophobicContact CD1-CG2 3.54Å; I215-K415 HydrophobicContact CD1-CB 3.9Å; I215-K415 HydrophobicContact CD1-CG 3.85Å; I215-K415 HydrophobicContact CG1-CB 4.34Å; I215-K415 HydrophobicContact CG1-CG 4.1Å
216	N	98.7	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	S	Bend	cis	-64.8	-178	-15.7	-73.7	-11.4	0	0	0	111	S214 L218 S220 I221 D370 I371 C392	S214-N216 CarbonylContact C-O 3.49Å; S214-N216 VanDerWaalsContact CB-O 3.29Å; S214-N216 WeakPolarHBondContact CB-O 3.26Å; S214-N216 CarbonylContact O-C 3.55Å; S214-N216 PolarHBondContact OG-O 3.36Å; N216-L218 PolarHBondContact O-N 2.87Å; N216-S220 VanDerWaalsContact CB-OG 3.31Å; N216-S220 WeakPolarHBondContact CB-OG 3.4Å; N216-I221 HydrophobicContact CB-CD1 4.33Å; N216-I221 HydrophobicContact CB-CG1 4.15Å; N216-I221 WeakPolarHBondContact O-CD1 3.48Å; N216-D370 PolarHBondContact OD1-N 2.99Å; N216-I371 PolarHBondContact ND2-O 3.36Å; N216-I371 PolarHBondContact OD1-N 2.75Å; N216-I371 PolarHBondContact OD1-O 3.42Å; N216-C392 HydrophobicContact CB-CB 4.13Å; N216-C392 PolarHBondContact N-SG 3.26Å; N216-C392 PolarHBondContact ND2-N 3.02Å
217	S	98.8	Very high	98.6	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	20%	0.203	S	C	.	.			trans	-58.8	139.6	172.5	69.4	0	0	0	0	110.5	E219 S220 I221	S217-E219 PolarHBondContact O-N 3.17Å; S217-S220 PolarHBondContact N-OG 2.78Å; S217-S220 PolarHBondContact O-N 3.31Å; S217-S220 PolarHBondContact O-OG 2.9Å; S217-S220 VanDerWaalsContact OG-CB 3.25Å; S217-S220 WeakPolarHBondContact OG-CB 3.43Å; S217-S220 PolarHBondContact OG-N 3.49Å; S217-S220 VanDerWaalsContact OG-N 3.1Å; S217-S220 PolarHBondContact OG-OG 2.71Å; S217-S220 VanDerWaalsContact OG-OG 3.06Å; S217-I221 WeakPolarHBondContact O-CG1 3.31Å; S217-I221 PolarHBondContact O-N 3.42Å
218	L	98.8	Very high	98.6	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-30	178.4	-61	175	0	0	0	111.8	I187 I204 M207 Q208 L212 N216 I221 Y222	I187-L218 HydrophobicContact CD1-CD2 3.65Å; I204-L218 HydrophobicContact CG2-CB 4.29Å; I204-L218 HydrophobicContact CG2-CD2 4.49Å; M207-L218 HydrophobicContact CB-CD1 3.6Å; M207-L218 HydrophobicContact CB-CD2 4.31Å; Q208-L218 HydrophobicContact CB-CB 4.34Å; Q208-L218 HydrophobicContact CB-CD1 4.15Å; L212-L218 WeakPolarHBondContact O-CD1 3.38Å; N216-L218 PolarHBondContact O-N 2.87Å; L218-I221 PolarHBondContact O-N 2.86Å; L218-Y222 VanDerWaalsContact O-CB 3.31Å; L218-Y222 WeakPolarHBondContact O-CB 3.46Å; L218-Y222 PolarHBondContact O-N 2.84Å
219	E	98.6	Very high	98.6	Very high	114 Å²	114	41.7 Å²	41.7	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-49.9	169.2	-178.9	179.1	177	0	0	112.2	S217 Y222 N223	S217-E219 PolarHBondContact O-N 3.17Å; E219-Y222 PolarHBondContact O-N 3.25Å; E219-N223 PolarHBondContact O-N 2.88Å; E219-N223 PolarHBondContact O-ND2 3.24Å
220	S	98.8	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-41.1	178.2	70	0	0	0	0	111.9	N216 S217 Y222 N223 F224	N216-S220 VanDerWaalsContact CB-OG 3.31Å; N216-S220 WeakPolarHBondContact CB-OG 3.4Å; S217-S220 PolarHBondContact N-OG 2.78Å; S217-S220 PolarHBondContact O-N 3.31Å; S217-S220 PolarHBondContact O-OG 2.9Å; S217-S220 VanDerWaalsContact OG-CB 3.25Å; S217-S220 WeakPolarHBondContact OG-CB 3.43Å; S217-S220 PolarHBondContact OG-N 3.49Å; S217-S220 VanDerWaalsContact OG-N 3.1Å; S217-S220 PolarHBondContact OG-OG 2.71Å; S217-S220 VanDerWaalsContact OG-OG 3.06Å; S220-Y222 PolarHBondContact O-N 3.45Å; S220-N223 CarbonylContact O-C 3.55Å; S220-N223 PolarHBondContact O-N 3.28Å; S220-F224 WeakPolarHBondContact O-CB 3.46Å; S220-F224 WeakPolarHBondContact O-CD2 3.35Å; S220-F224 PolarHBondContact O-N 2.96Å
221	I	98.9	Very high	98.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-41.2	178.9	-64.2	167.3	0	0	0	110.7	I187 A191 I204 N216 S217 L218 F224 C225	I187-I221 HydrophobicContact CB-CD1 3.89Å; I187-I221 HydrophobicContact CD1-CD1 3.65Å; I187-I221 HydrophobicContact CG1-CD1 4.29Å; I187-I221 HydrophobicContact CG2-CD1 4.15Å; A191-I221 HydrophobicContact CB-CG2 3.75Å; I204-I221 HydrophobicContact CD1-CG2 3.9Å; I204-I221 HydrophobicContact CG1-CG2 4.2Å; N216-I221 HydrophobicContact CB-CD1 4.33Å; N216-I221 HydrophobicContact CB-CG1 4.15Å; N216-I221 WeakPolarHBondContact O-CD1 3.48Å; S217-I221 WeakPolarHBondContact O-CG1 3.31Å; S217-I221 PolarHBondContact O-N 3.42Å; L218-I221 PolarHBondContact O-N 2.86Å; I221-F224 PolarHBondContact O-N 3.07Å; I221-C225 PolarHBondContact O-N 2.89Å; I221-C225 PolarHBondContact O-SG 3.18Å
222	Y	98.9	Very high	98.7	Very high	120 Å²	120	34.9 Å²	34.9	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-45.6	173.2	-175.3	-95.3	0	0	0	111.7	I205 L218 E219 S220 F224 C225	I205-Y222 HydrophobicContact CD1-CE2 3.99Å; I205-Y222 HydrophobicContact CG1-CD2 4.18Å; I205-Y222 HydrophobicContact CG1-CE2 3.88Å; L218-Y222 VanDerWaalsContact O-CB 3.31Å; L218-Y222 WeakPolarHBondContact O-CB 3.46Å; L218-Y222 PolarHBondContact O-N 2.84Å; E219-Y222 PolarHBondContact O-N 3.25Å; S220-Y222 PolarHBondContact O-N 3.45Å; Y222-F224 VanDerWaalsContact C-N 3.28Å; Y222-F224 PolarHBondContact O-N 2.85Å; Y222-C225 VanDerWaalsContact O-CB 3.25Å; Y222-C225 WeakPolarHBondContact O-CB 3.33Å; Y222-C225 PolarHBondContact O-N 2.91Å; Y222-C225 VanDerWaalsContact O-N 3.17Å
223	N	98.8	Very high	98.7	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-30.3	174.8	-80.8	-88.8	0	0	0	112.8	E219 S220 C225 W229 F366	E219-N223 PolarHBondContact O-N 2.88Å; E219-N223 PolarHBondContact O-ND2 3.24Å; S220-N223 CarbonylContact O-C 3.55Å; S220-N223 PolarHBondContact O-N 3.28Å; N223-C225 PolarHBondContact O-N 3.27Å; N223-W229 PolarHBondContact OD1-NE1 2.88Å; N223-F366 HydrophobicContact CB-CB 4.35Å; N223-F366 HydrophobicContact CB-CD1 3.57Å; N223-F366 HydrophobicContact CB-CD2 3.82Å; N223-F366 HydrophobicContact CB-CE1 3.68Å; N223-F366 HydrophobicContact CB-CE2 3.92Å; N223-F366 HydrophobicContact CB-CG 3.65Å; N223-F366 HydrophobicContact CB-CZ 3.84Å; N223-F366 WeakPolarHBondContact OD1-CE1 3.4Å
224	F	98.8	Very high	98.8	Very high	19 Å²	19	35.8 Å²	35.8	8%	0.083	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.1	175.9	-100	-100.1	0	0	0	114.1	S220 I221 Y222 D226 V230 H274 M365 F366 L369 V389 D391	S220-F224 WeakPolarHBondContact O-CB 3.46Å; S220-F224 WeakPolarHBondContact O-CD2 3.35Å; S220-F224 PolarHBondContact O-N 2.96Å; I221-F224 PolarHBondContact O-N 3.07Å; Y222-F224 VanDerWaalsContact C-N 3.28Å; Y222-F224 PolarHBondContact O-N 2.85Å; F224-D226 PolarHBondContact O-N 3.35Å; F224-V230 HydrophobicContact CB-CG2 4.36Å; F224-V230 HydrophobicContact CD1-CG1 4.26Å; F224-V230 HydrophobicContact CD1-CG2 3.83Å; F224-V230 HydrophobicContact CD2-CG2 4.14Å; F224-V230 HydrophobicContact CE1-CG1 3.69Å; F224-V230 HydrophobicContact CE1-CG2 4.11Å; F224-V230 HydrophobicContact CE2-CG1 4.28Å; F224-V230 HydrophobicContact CE2-CG2 4.4Å; F224-V230 HydrophobicContact CG-CG2 3.86Å; F224-V230 HydrophobicContact CZ-CG1 3.7Å; F224-V230 HydrophobicContact CZ-CG2 4.39Å; F224-H274 PolarHBondContact O-CE1 2.83Å; F224-H274 VanDerWaalsContact O-CE1 3.31Å; F224-M365 HydrophobicContact CE2-CG 4.38Å; F224-M365 HydrophobicContact CE2-SD 3.87Å; F224-M365 HydrophobicContact CZ-SD 3.97Å; F224-F366 AromaticContact CD2-CD2 3.88Å; F224-F366 HydrophobicContact CD2-CD2 3.88Å; F224-F366 AromaticContact CD2-CE2 4Å; F224-F366 HydrophobicContact CD2-CE2 4Å; F224-F366 AromaticContact CE2-CD2 3.79Å; F224-F366 HydrophobicContact CE2-CD2 3.79Å; F224-F366 AromaticContact CE2-CE2 3.92Å; F224-F366 HydrophobicContact CE2-CE2 3.92Å; F224-L369 HydrophobicContact CE2-CD1 3.76Å; F224-L369 HydrophobicContact CE2-CD2 3.91Å; F224-L369 HydrophobicContact CZ-CD1 3.8Å; F224-V389 HydrophobicContact CE1-CG1 4.11Å; F224-V389 HydrophobicContact CZ-CG1 3.92Å; F224-V389 HydrophobicContact CZ-CG2 4.48Å; F224-D391 HydrophobicContact CB-CB 4.49Å; F224-D391 HydrophobicContact CD1-CB 3.72Å; F224-D391 HydrophobicContact CD2-CB 4.12Å; F224-D391 HydrophobicContact CE1-CB 3.87Å; F224-D391 HydrophobicContact CE2-CB 4.26Å; F224-D391 HydrophobicContact CG-CB 3.84Å; F224-D391 HydrophobicContact CZ-CB 4.14Å
225	C	98.7	Very high	98.8	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.5	177	-63.9	0	0	0	0	114.7	F192 R201 I221 Y222 N223 H274	F192-C225 HydrophobicContact CB-CB 3.9Å; F192-C225 HydrophobicContact CD1-CB 4.38Å; F192-C225 WeakPolarHBondContact CD1-O 3.36Å; F192-C225 HydrophobicContact CG-CB 4.38Å; R201-C225 HydrophobicContact CG-CB 4.25Å; I221-C225 PolarHBondContact O-N 2.89Å; I221-C225 PolarHBondContact O-SG 3.18Å; Y222-C225 VanDerWaalsContact O-CB 3.25Å; Y222-C225 WeakPolarHBondContact O-CB 3.33Å; Y222-C225 PolarHBondContact O-N 2.91Å; Y222-C225 VanDerWaalsContact O-N 3.17Å; N223-C225 PolarHBondContact O-N 3.27Å; C225-H274 VanDerWaalsContact C-CE1 3.47Å; C225-H274 PolarHBondContact O-CE1 3.13Å; C225-H274 PolarHBondContact O-ND1 2.61Å
226	D	98.5	Very high	98.8	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	20%	0.203	S	C	.	.			trans	-135.9	110	173.6	-86.8	-63.4	0	0	0	112.4	F224 W229 V230 Y303	F224-D226 PolarHBondContact O-N 3.35Å; D226-W229 HydrophobicContact CB-CB 3.81Å; D226-W229 WeakPolarHBondContact O-CA 3.24Å; D226-W229 WeakPolarHBondContact O-CB 3.45Å; D226-W229 PolarHBondContact O-N 3.44Å; D226-V230 PolarHBondContact O-N 3.22Å; D226-Y303 WeakPolarHBondContact OD1-CE1 3.5Å; D226-Y303 PolarHBondContact OD1-OH 3.39Å
227	K	98.6	Very high	98.8	Very high	51 Å²	51	40.5 Å²	40.5	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-38	-173.7	-60.7	-156.5	171.4	-174.4	0	114	W229 V230 F231 H274 A275 H276 E388	K227-W229 VanDerWaalsContact C-N 3.33Å; K227-W229 PolarHBondContact O-N 3.46Å; K227-V230 PolarHBondContact O-N 3.34Å; K227-F231 WeakPolarHBondContact O-CB 3.46Å; K227-F231 PolarHBondContact O-N 3.06Å; K227-H274 WeakPolarHBondContact CE-NE2 3.45Å; K227-H274 VanDerWaalsContact CG-CE1 3.44Å; K227-H274 WeakPolarHBondContact CG-CE1 3.27Å; K227-A275 PolarHBondContact NZ-O 3.39Å; K227-A275 VanDerWaalsContact NZ-O 3.17Å; K227-H276 PolarHBondContact NZ-ND1 3Å; K227-E388 IonicContact NZ-OE1 3.67Å; K227-E388 PolarHBondContact NZ-OE1 3.3Å
228	P	98.7	Very high	98.8	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.143	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-29.2	172.7	-21.8	34.8	0	0	0	113.8	F231 A232 Y253 Y303 T305	P228-F231 PolarHBondContact O-N 2.84Å; P228-A232 PolarHBondContact O-N 3.37Å; P228-Y253 HydrophobicContact CB-CD2 3.6Å; P228-Y253 HydrophobicContact CB-CE2 3.68Å; P228-Y253 HydrophobicContact CG-CD2 3.82Å; P228-Y253 HydrophobicContact CG-CE2 3.74Å; P228-Y303 VanDerWaalsContact CD-CE2 3.41Å; P228-Y303 WeakPolarHBondContact CD-OH 3.31Å; P228-Y303 HydrophobicContact CG-CD2 3.63Å; P228-Y303 HydrophobicContact CG-CE2 3.36Å; P228-Y303 HydrophobicContact CG-CG 4.33Å; P228-T305 HydrophobicContact CG-CG2 4.1Å
229	W	98.8	Very high	98.7	Very high	138 Å²	138	51 Å²	51	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-69.9	-42.1	176	-178.1	-110.4	0	0	0	111.4	N223 D226 K227 A232 F366	N223-W229 PolarHBondContact OD1-NE1 2.88Å; D226-W229 HydrophobicContact CB-CB 3.81Å; D226-W229 WeakPolarHBondContact O-CA 3.24Å; D226-W229 WeakPolarHBondContact O-CB 3.45Å; D226-W229 PolarHBondContact O-N 3.44Å; K227-W229 VanDerWaalsContact C-N 3.33Å; K227-W229 PolarHBondContact O-N 3.46Å; W229-A232 WeakPolarHBondContact O-CB 3.48Å; W229-A232 PolarHBondContact O-N 3.43Å; W229-F366 AromaticContact CD1-CE1 3.95Å; W229-F366 AromaticContact CD1-CZ 3.73Å; W229-F366 AromaticContact NE1-CE1 3.49Å; W229-F366 AromaticContact NE1-CZ 3.78Å
230	V	98.9	Very high	98.7	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-43.5	169.2	-178.1	0	0	0	0	110.9	F224 D226 K227 A232 Q233 L234 M365 F366 V389	F224-V230 HydrophobicContact CB-CG2 4.36Å; F224-V230 HydrophobicContact CD1-CG1 4.26Å; F224-V230 HydrophobicContact CD1-CG2 3.83Å; F224-V230 HydrophobicContact CD2-CG2 4.14Å; F224-V230 HydrophobicContact CE1-CG1 3.69Å; F224-V230 HydrophobicContact CE1-CG2 4.11Å; F224-V230 HydrophobicContact CE2-CG1 4.28Å; F224-V230 HydrophobicContact CE2-CG2 4.4Å; F224-V230 HydrophobicContact CG-CG2 3.86Å; F224-V230 HydrophobicContact CZ-CG1 3.7Å; F224-V230 HydrophobicContact CZ-CG2 4.39Å; D226-V230 PolarHBondContact O-N 3.22Å; K227-V230 PolarHBondContact O-N 3.34Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.95Å; V230-Q233 WeakPolarHBondContact O-CB 3.37Å; V230-Q233 PolarHBondContact O-N 2.86Å; V230-L234 PolarHBondContact O-N 2.84Å; V230-M365 HydrophobicContact CG1-SD 4.16Å; V230-F366 HydrophobicContact CG2-CE2 4.22Å; V230-V389 HydrophobicContact CG1-CG1 3.29Å
231	F	98.9	Very high	98.7	Very high	18 Å²	18	53.4 Å²	53.4	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-31.1	177.8	-162.6	-87.3	0	0	0	112.5	K227 P228 Q233 L234 V235 L248 I249 Q251	K227-F231 WeakPolarHBondContact O-CB 3.46Å; K227-F231 PolarHBondContact O-N 3.06Å; P228-F231 PolarHBondContact O-N 2.84Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 3.49Å; F231-L234 HydrophobicContact CD2-CD1 3.9Å; F231-L234 HydrophobicContact CE2-CD1 4.36Å; F231-L234 HydrophobicContact CG-CD1 4.49Å; F231-L234 CarbonylContact O-C 3.55Å; F231-L234 WeakPolarHBondContact O-CA 3.05Å; F231-L234 WeakPolarHBondContact O-CB 3.25Å; F231-L234 PolarHBondContact O-N 2.91Å; F231-V235 HydrophobicContact CD1-CG2 3.77Å; F231-V235 HydrophobicContact CE1-CG2 3.7Å; F231-V235 WeakPolarHBondContact O-CG2 3.31Å; F231-V235 PolarHBondContact O-N 3.01Å; F231-L248 HydrophobicContact CE1-CD1 4.49Å; F231-L248 HydrophobicContact CE1-CD2 4Å; F231-L248 HydrophobicContact CE1-CG 4.36Å; F231-L248 HydrophobicContact CE2-CD1 3.81Å; F231-L248 HydrophobicContact CE2-CG 4.4Å; F231-L248 HydrophobicContact CZ-CD1 3.73Å; F231-L248 HydrophobicContact CZ-CD2 3.97Å; F231-L248 HydrophobicContact CZ-CG 3.82Å; F231-I249 HydrophobicContact CE2-CG2 4.18Å; F231-I249 HydrophobicContact CZ-CG2 4.08Å; F231-Q251 HydrophobicContact CE1-CB 3.69Å; F231-Q251 HydrophobicContact CE1-CG 4.36Å; F231-Q251 HydrophobicContact CE2-CB 4.41Å; F231-Q251 HydrophobicContact CZ-CB 3.61Å; F231-Q251 HydrophobicContact CZ-CG 4.34Å
232	A	98.8	Very high	98.7	Very high	48 Å²	48	54.7 Å²	54.7	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-31.8	172.9	0	0	0	0	0	112.9	P228 W229 V230 V235 A236	P228-A232 PolarHBondContact O-N 3.37Å; W229-A232 WeakPolarHBondContact O-CB 3.48Å; W229-A232 PolarHBondContact O-N 3.43Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.95Å; A232-V235 PolarHBondContact O-N 3.27Å; A232-A236 PolarHBondContact O-N 3Å
233	Q	98.8	Very high	98.6	Very high	59 Å²	59	50.4 Å²	50.4	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-42.3	170.3	-54.6	-58.1	-36.4	0	0	111.1	V230 F231 V235 A236 I237 M365 F366	V230-Q233 WeakPolarHBondContact O-CB 3.37Å; V230-Q233 PolarHBondContact O-N 2.86Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 3.49Å; Q233-V235 VanDerWaalsContact C-N 3.27Å; Q233-V235 PolarHBondContact O-N 3.45Å; Q233-A236 WeakPolarHBondContact O-CB 3.48Å; Q233-A236 PolarHBondContact O-N 2.96Å; Q233-A236 VanDerWaalsContact O-N 3.09Å; Q233-I237 WeakPolarHBondContact O-CG1 3.42Å; Q233-I237 PolarHBondContact O-N 3.46Å; Q233-M365 HydrophobicContact CB-CB 4.3Å; Q233-M365 HydrophobicContact CB-CE 3.84Å; Q233-M365 HydrophobicContact CB-SD 3.98Å; Q233-M365 HydrophobicContact CG-CB 4.29Å; Q233-M365 HydrophobicContact CG-SD 4.18Å; Q233-F366 HydrophobicContact CG-CE1 3.84Å; Q233-F366 HydrophobicContact CG-CE2 3.97Å; Q233-F366 HydrophobicContact CG-CZ 3.41Å; Q233-F366 VanDerWaalsContact CG-CZ 3.41Å
234	L	98.9	Very high	98.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-38.2	174.4	-52.2	-179.7	0	0	0	111.6	V230 F231 I237 Y238 F246 L248 C362 M365 V389	V230-L234 PolarHBondContact O-N 2.84Å; F231-L234 HydrophobicContact CD2-CD1 3.9Å; F231-L234 HydrophobicContact CE2-CD1 4.36Å; F231-L234 HydrophobicContact CG-CD1 4.49Å; F231-L234 CarbonylContact O-C 3.55Å; F231-L234 WeakPolarHBondContact O-CA 3.05Å; F231-L234 WeakPolarHBondContact O-CB 3.25Å; F231-L234 PolarHBondContact O-N 2.91Å; L234-I237 PolarHBondContact O-N 3.13Å; L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.92Å; L234-F246 HydrophobicContact CB-CE1 4.32Å; L234-F246 HydrophobicContact CD2-CZ 4.1Å; L234-L248 HydrophobicContact CB-CD1 3.67Å; L234-L248 HydrophobicContact CB-CD2 4.11Å; L234-L248 HydrophobicContact CD1-CD1 4.07Å; L234-C362 VanDerWaalsContact CD2-SG 3.53Å; L234-M365 HydrophobicContact CD2-CE 3.89Å; L234-V389 HydrophobicContact CD1-CG1 4.31Å; L234-V389 HydrophobicContact CD2-CB 4.26Å; L234-V389 HydrophobicContact CD2-CG1 3.88Å; L234-V389 HydrophobicContact CG-CG1 4.37Å
235	V	98.8	Very high	98.5	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-36.1	174.2	171.4	0	0	0	0	111.9	F231 A232 Q233 K239 L248	F231-V235 HydrophobicContact CD1-CG2 3.77Å; F231-V235 HydrophobicContact CE1-CG2 3.7Å; F231-V235 WeakPolarHBondContact O-CG2 3.31Å; F231-V235 PolarHBondContact O-N 3.01Å; A232-V235 PolarHBondContact O-N 3.27Å; Q233-V235 VanDerWaalsContact C-N 3.27Å; Q233-V235 PolarHBondContact O-N 3.45Å; V235-K239 HydrophobicContact CG1-CD 4.21Å; V235-K239 WeakPolarHBondContact O-CB 3.28Å; V235-K239 VanDerWaalsContact O-CG 3.26Å; V235-K239 WeakPolarHBondContact O-CG 3.32Å; V235-K239 PolarHBondContact O-N 3.35Å; V235-L248 HydrophobicContact CB-CD2 4.36Å; V235-L248 HydrophobicContact CG2-CD2 3.71Å
236	A	98.7	Very high	98.5	Very high	46 Å²	46	60.6 Å²	60.6	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-40.9	172.9	0	0	0	0	0	111.9	A232 Q233 K239 T240	A232-A236 PolarHBondContact O-N 3Å; Q233-A236 WeakPolarHBondContact O-CB 3.48Å; Q233-A236 PolarHBondContact O-N 2.96Å; Q233-A236 VanDerWaalsContact O-N 3.09Å; A236-K239 PolarHBondContact O-N 2.88Å; A236-T240 PolarHBondContact O-N 3.32Å; A236-T240 PolarHBondContact O-OG1 3.42Å
237	I	98.8	Very high	98.5	Very high	19 Å²	19	58.7 Å²	58.7	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-47	174.3	-64.4	168.6	0	0	0	110.5	Q233 L234 K239 T240 L241 F246 T361 M365	Q233-I237 WeakPolarHBondContact O-CG1 3.42Å; Q233-I237 PolarHBondContact O-N 3.46Å; L234-I237 PolarHBondContact O-N 3.13Å; I237-K239 PolarHBondContact O-N 2.68Å; I237-T240 PolarHBondContact O-N 3.39Å; I237-L241 HydrophobicContact CG2-CD1 3.78Å; I237-L241 HydrophobicContact CG2-CG 4.24Å; I237-L241 PolarHBondContact O-N 3.2Å; I237-F246 HydrophobicContact CB-CD1 4.36Å; I237-F246 HydrophobicContact CB-CE1 4.11Å; I237-F246 HydrophobicContact CB-CZ 4.27Å; I237-F246 HydrophobicContact CG2-CB 4.43Å; I237-F246 HydrophobicContact CG2-CD1 3.77Å; I237-F246 HydrophobicContact CG2-CD2 3.68Å; I237-F246 HydrophobicContact CG2-CE1 3.82Å; I237-F246 HydrophobicContact CG2-CE2 3.73Å; I237-F246 HydrophobicContact CG2-CG 3.7Å; I237-F246 HydrophobicContact CG2-CZ 3.8Å; I237-T361 HydrophobicContact CB-CG2 4.44Å; I237-T361 HydrophobicContact CD1-CG2 4.07Å; I237-T361 HydrophobicContact CG1-CG2 3.94Å; I237-T361 HydrophobicContact CG2-CG2 3.7Å; I237-M365 HydrophobicContact CD1-CE 4.32Å
238	Y	98.6	Very high	98.5	Very high	100 Å²	100	57.2 Å²	57.2	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-56.2	-46.8	175.8	175.3	-88.5	0	0	0	112.2	L234 T240 G242 F246 L248	L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.92Å; Y238-T240 PolarHBondContact O-N 2.85Å; Y238-G242 WeakPolarHBondContact O-CA 3.42Å; Y238-G242 PolarHBondContact O-N 3.28Å; Y238-F246 WeakPolarHBondContact CD2-O 3.45Å; Y238-L248 HydrophobicContact CD2-CB 3.56Å; Y238-L248 HydrophobicContact CE2-CB 4.37Å; Y238-L248 HydrophobicContact CG-CB 4.07Å; Y238-L248 HydrophobicContact CG-CD2 4.4Å
239	K	98.6	Very high	98.5	Very high	167 Å²	167	56.6 Å²	56.6	73%	0.726	30%	0.298	S	S	*	.	H	α-helix	trans	-62.8	-22.2	176.9	-73.7	171.2	-178.5	176.2	0	113.4	V235 A236 I237	V235-K239 HydrophobicContact CG1-CD 4.21Å; V235-K239 WeakPolarHBondContact O-CB 3.28Å; V235-K239 VanDerWaalsContact O-CG 3.26Å; V235-K239 WeakPolarHBondContact O-CG 3.32Å; V235-K239 PolarHBondContact O-N 3.35Å; A236-K239 PolarHBondContact O-N 2.88Å; I237-K239 PolarHBondContact O-N 2.68Å
240	T	98.5	Very high	98.5	Very high	118 Å²	118	57 Å²	57	72%	0.724	31%	0.306	S	S	*	.	H	α-helix	trans	-94.4	-39.8	-177.9	-53.2	0	0	0	0	112.4	A236 I237 Y238	A236-T240 PolarHBondContact O-N 3.32Å; A236-T240 PolarHBondContact O-OG1 3.42Å; I237-T240 PolarHBondContact O-N 3.39Å; Y238-T240 PolarHBondContact O-N 2.85Å
241	L	98.4	Very high	98.4	Very high	45 Å²	45	58.5 Å²	58.5	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-98.4	-22.8	-175.2	-62.7	-174.4	0	0	0	114.3	I237 K245 F246 L357 T361	I237-L241 HydrophobicContact CG2-CD1 3.78Å; I237-L241 HydrophobicContact CG2-CG 4.24Å; I237-L241 PolarHBondContact O-N 3.2Å; L241-K245 HydrophobicContact CB-CB 4.22Å; L241-F246 HydrophobicContact CB-CB 4.02Å; L241-F246 HydrophobicContact CD1-CB 4.1Å; L241-F246 HydrophobicContact CD1-CD2 4.43Å; L241-L357 HydrophobicContact CD1-CD1 4.38Å; L241-T361 HydrophobicContact CD1-CG2 4.17Å
242	G	98.4	Very high	98.4	Very high	31 Å²	31	60 Å²	60	32%	0.32	32%	0.323	S	S	.	.			trans	76.7	154	-173.1	0	0	0	0	0	113.8	Y238 E244 K245 F246	Y238-G242 WeakPolarHBondContact O-CA 3.42Å; Y238-G242 PolarHBondContact O-N 3.28Å; G242-E244 PolarHBondContact O-N 2.91Å; G242-E244 VanDerWaalsContact O-N 3.15Å; G242-K245 PolarHBondContact O-N 3.17Å; G242-K245 VanDerWaalsContact O-N 3.16Å; G242-F246 PolarHBondContact O-N 3.02Å
243	G	97.4	Very high	98.3	Very high	30 Å²	30	63.1 Å²	63.1	31%	0.309	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20	-174.9	0	0	0	0	0	115.8	P247	G243-P247 VanDerWaalsContact O-CA 3.28Å; G243-P247 WeakPolarHBondContact O-CA 3.48Å; G243-P247 WeakPolarHBondContact O-CB 3.26Å
244	E	97.2	Very high	98.3	Very high	163 Å²	163	60.5 Å²	60.5	76%	0.762	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-49.6	173.1	-174.9	-163.3	171.3	0	0	111.2	G242 R354	G242-E244 PolarHBondContact O-N 2.91Å; G242-E244 VanDerWaalsContact O-N 3.15Å; E244-R354 PolarHBondContact O-NH1 3.13Å
245	K	98.4	Very high	98.3	Very high	110 Å²	110	63.6 Å²	63.6	48%	0.478	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-41.4	-176.6	-64	-179	-175.2	173.1	0	111.5	L241 G242 L357 W358	L241-K245 HydrophobicContact CB-CB 4.22Å; G242-K245 PolarHBondContact O-N 3.17Å; G242-K245 VanDerWaalsContact O-N 3.16Å; K245-L357 HydrophobicContact CB-CD2 4.12Å; K245-W358 PolarHBondContact O-NE1 2.88Å
246	F	98.8	Very high	98.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-127.9	84.1	-176.9	-165.2	-94.7	0	0	0	109.7	L234 I237 Y238 L241 G242 L248 W358 I386	L234-F246 HydrophobicContact CB-CE1 4.32Å; L234-F246 HydrophobicContact CD2-CZ 4.1Å; I237-F246 HydrophobicContact CB-CD1 4.36Å; I237-F246 HydrophobicContact CB-CE1 4.11Å; I237-F246 HydrophobicContact CB-CZ 4.27Å; I237-F246 HydrophobicContact CG2-CB 4.43Å; I237-F246 HydrophobicContact CG2-CD1 3.77Å; I237-F246 HydrophobicContact CG2-CD2 3.68Å; I237-F246 HydrophobicContact CG2-CE1 3.82Å; I237-F246 HydrophobicContact CG2-CE2 3.73Å; I237-F246 HydrophobicContact CG2-CG 3.7Å; I237-F246 HydrophobicContact CG2-CZ 3.8Å; Y238-F246 WeakPolarHBondContact CD2-O 3.45Å; L241-F246 HydrophobicContact CB-CB 4.02Å; L241-F246 HydrophobicContact CD1-CB 4.1Å; L241-F246 HydrophobicContact CD1-CD2 4.43Å; G242-F246 PolarHBondContact O-N 3.02Å; F246-L248 VanDerWaalsContact C-N 3.28Å; F246-L248 HydrophobicContact CD1-CB 4.3Å; F246-L248 HydrophobicContact CE1-CB 4.34Å; F246-L248 HydrophobicContact CE1-CD1 4.29Å; F246-L248 PolarHBondContact O-N 3.35Å; F246-W358 AromaticContact CD2-CD1 3.96Å; F246-W358 HydrophobicContact CD2-CG 4.49Å; F246-W358 HydrophobicContact CE2-CB 4.47Å; F246-I386 HydrophobicContact CD1-CD1 4.19Å; F246-I386 HydrophobicContact CD2-CD1 3.76Å; F246-I386 HydrophobicContact CE1-CD1 4.12Å; F246-I386 HydrophobicContact CE2-CD1 3.68Å; F246-I386 HydrophobicContact CG-CD1 4.02Å; F246-I386 HydrophobicContact CZ-CD1 3.87Å; F246-I386 HydrophobicContact CZ-CG2 4.36Å
247	P	98.6	Very high	98.2	Very high	15 Å²	15	64.1 Å²	64.1	10%	0.097	33%	0.327	C	S	.	.			trans	-78.3	74.9	-173.4	34	-38.1	0	0	0	111.1	G243 W358 D384 Y385 I386	G243-P247 VanDerWaalsContact O-CA 3.28Å; G243-P247 WeakPolarHBondContact O-CA 3.48Å; G243-P247 WeakPolarHBondContact O-CB 3.26Å; P247-W358 HydrophobicContact CG-CH2 4.42Å; P247-W358 HydrophobicContact CG-CZ2 3.67Å; P247-D384 WeakPolarHBondContact CB-O 3.29Å; P247-D384 HydrophobicContact CG-CB 4.08Å; P247-Y385 CarbonylContact O-C 3.54Å; P247-Y385 WeakPolarHBondContact O-CA 3.1Å; P247-I386 HydrophobicContact CG-CD1 4.37Å; P247-I386 HydrophobicContact CG-CG1 4.39Å; P247-I386 PolarHBondContact O-N 2.88Å
248	L	98.8	Very high	98.1	Very high	20 Å²	20	69.8 Å²	69.8	11%	0.105	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-65.7	137.2	172.4	-168.7	64.9	0	0	0	110.4	F231 L234 V235 Y238 F246 I386	F231-L248 HydrophobicContact CE1-CD1 4.49Å; F231-L248 HydrophobicContact CE1-CD2 4Å; F231-L248 HydrophobicContact CE1-CG 4.36Å; F231-L248 HydrophobicContact CE2-CD1 3.81Å; F231-L248 HydrophobicContact CE2-CG 4.4Å; F231-L248 HydrophobicContact CZ-CD1 3.73Å; F231-L248 HydrophobicContact CZ-CD2 3.97Å; F231-L248 HydrophobicContact CZ-CG 3.82Å; L234-L248 HydrophobicContact CB-CD1 3.67Å; L234-L248 HydrophobicContact CB-CD2 4.11Å; L234-L248 HydrophobicContact CD1-CD1 4.07Å; V235-L248 HydrophobicContact CB-CD2 4.36Å; V235-L248 HydrophobicContact CG2-CD2 3.71Å; Y238-L248 HydrophobicContact CD2-CB 3.56Å; Y238-L248 HydrophobicContact CE2-CB 4.37Å; Y238-L248 HydrophobicContact CG-CB 4.07Å; Y238-L248 HydrophobicContact CG-CD2 4.4Å; F246-L248 VanDerWaalsContact C-N 3.28Å; F246-L248 HydrophobicContact CD1-CB 4.3Å; F246-L248 HydrophobicContact CE1-CB 4.34Å; F246-L248 HydrophobicContact CE1-CD1 4.29Å; F246-L248 PolarHBondContact O-N 3.35Å; L248-I386 HydrophobicContact CD1-CB 4.42Å; L248-I386 HydrophobicContact CD1-CG2 4.21Å
249	I	98.6	Very high	98	Very high	8 Å²	8	69.8 Å²	69.8	4%	0.041	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.3	144.7	171.3	-159.6	168.1	0	0	0	110.4	F231 Q251 E307 I310 Y385 I386 F387	F231-I249 HydrophobicContact CE2-CG2 4.18Å; F231-I249 HydrophobicContact CZ-CG2 4.08Å; I249-Q251 PolarHBondContact O-N 3.33Å; I249-E307 HydrophobicContact CD1-CB 4.05Å; I249-E307 HydrophobicContact CD1-CG 4.06Å; I249-E307 HydrophobicContact CG1-CB 4.33Å; I249-E307 HydrophobicContact CG2-CB 4.45Å; I249-I310 HydrophobicContact CD1-CD1 4.35Å; I249-I310 HydrophobicContact CD1-CG1 3.96Å; I249-Y385 HydrophobicContact CG1-CD1 4.21Å; I249-I386 WeakPolarHBondContact CB-O 3.31Å; I249-I386 WeakPolarHBondContact CG2-O 3.36Å; I249-I386 PolarHBondContact N-O 3.17Å; I249-F387 HydrophobicContact CB-CB 4.49Å; I249-F387 HydrophobicContact CG2-CB 3.88Å
250	E	97.1	Very high	97.9	Very high	148 Å²	148	62.1 Å²	62.1	69%	0.692	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-65.3	131	167.9	-174.1	178	173.5	0	0	109.4	E307 P308	E250-E307 WeakPolarHBondContact O-CA 3.32Å; E250-E307 WeakPolarHBondContact O-CB 3.33Å; E250-P308 HydrophobicContact CB-CG 4.33Å; E250-P308 WeakPolarHBondContact O-CD 3.21Å
251	Q	97.6	Very high	97.5	Very high	39 Å²	39	63.6 Å²	63.6	18%	0.182	32%	0.324	C	S	.	.			trans	-146.3	126.4	179.9	-173.1	-176.9	104.6	0	0	110.6	F231 I249 T305 A306 E307	F231-Q251 HydrophobicContact CE1-CB 3.69Å; F231-Q251 HydrophobicContact CE1-CG 4.36Å; F231-Q251 HydrophobicContact CE2-CB 4.41Å; F231-Q251 HydrophobicContact CZ-CB 3.61Å; F231-Q251 HydrophobicContact CZ-CG 4.34Å; I249-Q251 PolarHBondContact O-N 3.33Å; Q251-T305 HydrophobicContact CG-CG2 4.37Å; Q251-A306 CarbonylContact C-O 3.52Å; Q251-A306 WeakPolarHBondContact CA-O 3.36Å; Q251-E307 HydrophobicContact CB-CB 4.25Å; Q251-E307 HydrophobicContact CG-CB 4.28Å; Q251-E307 PolarHBondContact NE2-OE2 3.3Å
252	T	98.1	Very high	96.8	Very high	49 Å²	49	65.6 Å²	65.6	30%	0.301	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.3	171.1	-53.5	0	0	0	0	109.4	Y254 T305 A306	T252-Y254 HydrophobicContact CG2-CD1 4.27Å; T252-Y254 HydrophobicContact CG2-CE1 3.6Å; T252-Y254 HydrophobicContact CG2-CE2 4.03Å; T252-Y254 VanDerWaalsContact CG2-CZ 3.45Å; T252-Y254 WeakPolarHBondContact CG2-OH 3.45Å; T252-T305 CarbonylContact O-C 3.51Å; T252-T305 WeakPolarHBondContact O-CA 3.39Å; T252-T305 WeakPolarHBondContact O-CB 3.48Å; T252-A306 PolarHBondContact N-O 3.05Å; T252-A306 PolarHBondContact O-N 3.36Å
253	Y	98.3	Very high	96.1	Very high	114 Å²	114	68.6 Å²	68.6	45%	0.447	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.4	172.6	169.1	-104.2	0	0	0	110.8	P228 P255 Y303 T305	P228-Y253 HydrophobicContact CB-CD2 3.6Å; P228-Y253 HydrophobicContact CB-CE2 3.68Å; P228-Y253 HydrophobicContact CG-CD2 3.82Å; P228-Y253 HydrophobicContact CG-CE2 3.74Å; Y253-P255 HydrophobicContact CD1-CG 4.31Å; Y253-P255 HydrophobicContact CE1-CB 4.22Å; Y253-P255 HydrophobicContact CE1-CG 3.78Å; Y253-Y303 HydrophobicContact CE2-CD2 4.22Å; Y253-Y303 AromaticContact CE2-CG 3.89Å; Y253-Y303 HydrophobicContact CE2-CG 3.89Å; Y253-T305 HydrophobicContact CD2-CG2 4Å
254	Y	98.3	Very high	95.6	Very high	3 Å²	3	68.5 Å²	68.5	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.4	175.3	-52	-78.6	0	0	0	108.5	T252 N256 E259 M260 T262 F290 Y303 A304 A306	T252-Y254 HydrophobicContact CG2-CD1 4.27Å; T252-Y254 HydrophobicContact CG2-CE1 3.6Å; T252-Y254 HydrophobicContact CG2-CE2 4.03Å; T252-Y254 VanDerWaalsContact CG2-CZ 3.45Å; T252-Y254 WeakPolarHBondContact CG2-OH 3.45Å; Y254-N256 PolarHBondContact O-N 3.47Å; Y254-N256 VanDerWaalsContact O-N 3.1Å; Y254-E259 HydrophobicContact CD1-CB 4.04Å; Y254-E259 WeakPolarHBondContact CD1-O 3.42Å; Y254-E259 WeakPolarHBondContact CE1-O 3.34Å; Y254-M260 HydrophobicContact CD1-CB 4.43Å; Y254-M260 HydrophobicContact CD1-CG 3.76Å; Y254-M260 HydrophobicContact CD2-CG 3.85Å; Y254-M260 HydrophobicContact CE1-CG 4.24Å; Y254-M260 HydrophobicContact CE2-CG 4.33Å; Y254-M260 HydrophobicContact CG-CG 3.53Å; Y254-T262 PolarHBondContact OH-O 3.31Å; Y254-F290 HydrophobicContact CE2-CZ 4.26Å; Y254-Y303 VanDerWaalsContact O-CA 3.31Å; Y254-Y303 WeakPolarHBondContact O-CA 3.44Å; Y254-Y303 WeakPolarHBondContact O-CB 3.35Å; Y254-A304 PolarHBondContact N-O 3.37Å; Y254-A304 PolarHBondContact O-N 2.88Å; Y254-A306 HydrophobicContact CE2-CB 3.76Å
255	P	98.2	Very high	95.4	Very high	67 Å²	67	66.7 Å²	66.7	44%	0.435	34%	0.34	S	S	.	.	S	Bend	trans	-57.2	-26.7	178	-24.2	31.9	0	0	0	113.5	Y253	Y253-P255 HydrophobicContact CD1-CG 4.31Å; Y253-P255 HydrophobicContact CE1-CB 4.22Å; Y253-P255 HydrophobicContact CE1-CG 3.78Å
256	N	97.7	Very high	95.3	Very high	47 Å²	47	64 Å²	64	25%	0.251	33%	0.329	S	S	.	.	S	Bend	trans	-166.3	174	171.6	62.8	92.5	0	0	0	109.1	Y254 K258 E259	Y254-N256 PolarHBondContact O-N 3.47Å; Y254-N256 VanDerWaalsContact O-N 3.1Å; N256-K258 PolarHBondContact O-N 3.49Å; N256-K258 VanDerWaalsContact OD1-CB 3.25Å; N256-K258 WeakPolarHBondContact OD1-CB 3.47Å; N256-K258 WeakPolarHBondContact OD1-CD 3.36Å; N256-K258 WeakPolarHBondContact OD1-CG 3.39Å; N256-K258 PolarHBondContact OD1-N 3.05Å; N256-K258 VanDerWaalsContact OD1-N 3.08Å; N256-E259 PolarHBondContact O-N 2.99Å
257	H	97.8	Very high	95.3	Very high	54 Å²	54	66.3 Å²	66.3	25%	0.25	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-50.4	-27.6	-179.2	65	-86.8	0	0	0	116.1	E259 M260 A294 V297 A298	H257-E259 PolarHBondContact O-N 3.21Å; H257-M260 WeakPolarHBondContact O-CB 3.27Å; H257-M260 PolarHBondContact O-N 3.24Å; H257-M260 VanDerWaalsContact O-N 3.07Å; H257-A294 VanDerWaalsContact CB-O 3.31Å; H257-A294 WeakPolarHBondContact CB-O 3.4Å; H257-V297 HydrophobicContact CB-CB 4.16Å; H257-V297 HydrophobicContact CB-CG1 4.01Å; H257-A298 HydrophobicContact CB-CB 4.05Å; H257-A298 WeakPolarHBondContact ND1-CA 3.36Å
258	K	97.1	Very high	95.3	Very high	137 Å²	137	65.7 Å²	65.7	60%	0.596	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-64.9	-27.9	-174.9	-63.1	172.1	-175.5	173.7	0	113.3	N256 M260	N256-K258 PolarHBondContact O-N 3.49Å; N256-K258 VanDerWaalsContact OD1-CB 3.25Å; N256-K258 WeakPolarHBondContact OD1-CB 3.47Å; N256-K258 WeakPolarHBondContact OD1-CD 3.36Å; N256-K258 WeakPolarHBondContact OD1-CG 3.39Å; N256-K258 PolarHBondContact OD1-N 3.05Å; N256-K258 VanDerWaalsContact OD1-N 3.08Å; K258-M260 VanDerWaalsContact C-N 3.33Å
259	E	97.1	Very high	95.2	Very high	101 Å²	101	65.1 Å²	65.1	47%	0.472	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-85.2	-7.2	178.2	-56.2	-51.8	141.7	0	0	112.9	Y254 N256 H257 L261 T262	Y254-E259 HydrophobicContact CD1-CB 4.04Å; Y254-E259 WeakPolarHBondContact CD1-O 3.42Å; Y254-E259 WeakPolarHBondContact CE1-O 3.34Å; N256-E259 PolarHBondContact O-N 2.99Å; H257-E259 PolarHBondContact O-N 3.21Å; E259-L261 PolarHBondContact O-N 3.23Å; E259-T262 PolarHBondContact O-N 3.45Å
260	M	96.3	Very high	95.2	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.025	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	28.7	174.6	-59.7	179.8	66.9	0	0	112.8	Y254 H257 K258 V270 F290 A294 V297 A304	Y254-M260 HydrophobicContact CD1-CB 4.43Å; Y254-M260 HydrophobicContact CD1-CG 3.76Å; Y254-M260 HydrophobicContact CD2-CG 3.85Å; Y254-M260 HydrophobicContact CE1-CG 4.24Å; Y254-M260 HydrophobicContact CE2-CG 4.33Å; Y254-M260 HydrophobicContact CG-CG 3.53Å; H257-M260 WeakPolarHBondContact O-CB 3.27Å; H257-M260 PolarHBondContact O-N 3.24Å; H257-M260 VanDerWaalsContact O-N 3.07Å; K258-M260 VanDerWaalsContact C-N 3.33Å; M260-V270 HydrophobicContact CE-CG1 4.34Å; M260-F290 HydrophobicContact CB-CE1 3.99Å; M260-F290 HydrophobicContact CB-CZ 4.21Å; M260-F290 HydrophobicContact CE-CD2 4.45Å; M260-F290 HydrophobicContact CE-CE1 4.35Å; M260-F290 HydrophobicContact CE-CE2 3.85Å; M260-F290 HydrophobicContact CE-CZ 3.79Å; M260-F290 VanDerWaalsContact O-CE1 3.32Å; M260-F290 WeakPolarHBondContact O-CE1 3.36Å; M260-A294 HydrophobicContact CB-CB 3.79Å; M260-A294 HydrophobicContact CE-CB 3.98Å; M260-A294 HydrophobicContact CG-CB 4.47Å; M260-A294 HydrophobicContact SD-CB 3.96Å; M260-V297 HydrophobicContact CE-CG2 4.33Å; M260-V297 HydrophobicContact SD-CB 4.06Å; M260-V297 HydrophobicContact SD-CG1 4.14Å; M260-V297 HydrophobicContact SD-CG2 3.89Å; M260-A304 HydrophobicContact SD-CB 4.2Å
261	L	89.1	Confident	95.3	Very high	150 Å²	150	59.1 Å²	59.1	79%	0.785	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-21.4	163.7	-60.7	175.1	0	0	0	111.4	E259 L263	E259-L261 PolarHBondContact O-N 3.23Å; L261-L263 PolarHBondContact O-N 3.17Å; L261-L263 VanDerWaalsContact O-N 3.1Å
262	T	84.6	Confident	95.3	Very high	87 Å²	87	58.3 Å²	58.3	53%	0.534	30%	0.304	S	S	.	.	S	Bend	trans	-73.4	99.6	173.6	-55.6	0	0	0	0	108.9	Y254 E259 P264	Y254-T262 PolarHBondContact OH-O 3.31Å; E259-T262 PolarHBondContact O-N 3.45Å; T262-P264 WeakPolarHBondContact O-CD 3.46Å
263	L	82.8	Confident	95.3	Very high	94 Å²	94	56.4 Å²	56.4	49%	0.492	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.3	-176.6	-64.9	179	0	0	0	111.4	L261 F266 H287 F290	L261-L263 PolarHBondContact O-N 3.17Å; L261-L263 VanDerWaalsContact O-N 3.1Å; L263-F266 HydrophobicContact CD2-CE2 4.49Å; L263-F266 HydrophobicContact CD2-CZ 4.45Å; L263-H287 HydrophobicContact CD1-CB 4.32Å; L263-H287 HydrophobicContact CD2-CB 4.16Å; L263-F290 HydrophobicContact CD2-CD1 3.94Å; L263-F290 HydrophobicContact CD2-CE1 4.39Å
264	P	88	Confident	95.3	Very high	27 Å²	27	51.1 Å²	51.1	18%	0.175	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-82.1	169.6	172.2	35.8	-36.5	0	0	0	111.8	T262 F266 V268 F290	T262-P264 WeakPolarHBondContact O-CD 3.46Å; P264-F266 HydrophobicContact CG-CE1 4.21Å; P264-F266 HydrophobicContact CG-CZ 4.1Å; P264-F266 VanDerWaalsContact O-CD2 3.31Å; P264-F266 WeakPolarHBondContact O-CD2 3.39Å; P264-F266 WeakPolarHBondContact O-CE2 3.4Å; P264-F266 PolarHBondContact O-N 3.38Å; P264-V268 HydrophobicContact CB-CG1 3.79Å; P264-V268 HydrophobicContact CG-CB 4.45Å; P264-V268 HydrophobicContact CG-CG1 3.62Å; P264-V268 HydrophobicContact CG-CG2 4.13Å; P264-F290 HydrophobicContact CG-CE2 4.13Å; P264-F290 HydrophobicContact CG-CZ 4.25Å
265	T	92.8	Very high	95.3	Very high	125 Å²	125	51.2 Å²	51.2	77%	0.767	28%	0.276	S	S	*	.	S	Bend	trans	-71.4	116.1	168.7	-55.5	0	0	0	0	110	V268	T265-V268 VanDerWaalsContact O-CG1 3.27Å; T265-V268 WeakPolarHBondContact O-CG1 3.42Å
266	F	96.4	Very high	95.1	Very high	55 Å²	55	49.3 Å²	49.3	24%	0.241	26%	0.261	C	S	.	.	S	Bend	trans	-80.9	153.5	-180	-65.7	-78.2	0	0	0	112.9	L263 P264 V268 V284 E285 H287 F290	L263-F266 HydrophobicContact CD2-CE2 4.49Å; L263-F266 HydrophobicContact CD2-CZ 4.45Å; P264-F266 HydrophobicContact CG-CE1 4.21Å; P264-F266 HydrophobicContact CG-CZ 4.1Å; P264-F266 VanDerWaalsContact O-CD2 3.31Å; P264-F266 WeakPolarHBondContact O-CD2 3.39Å; P264-F266 WeakPolarHBondContact O-CE2 3.4Å; P264-F266 PolarHBondContact O-N 3.38Å; F266-V268 HydrophobicContact CD1-CG2 4Å; F266-V268 HydrophobicContact CE1-CG2 3.92Å; F266-V284 HydrophobicContact CD1-CG1 4.42Å; F266-V284 HydrophobicContact CE1-CG1 3.98Å; F266-E285 WeakPolarHBondContact CB-O 3.45Å; F266-H287 HydrophobicContact CE2-CB 3.92Å; F266-H287 HydrophobicContact CZ-CB 4.25Å; F266-F290 HydrophobicContact CE1-CB 3.75Å; F266-F290 HydrophobicContact CE1-CD2 4Å; F266-F290 AromaticContact CE1-CG 4Å; F266-F290 HydrophobicContact CE1-CG 4Å; F266-F290 HydrophobicContact CZ-CB 3.65Å; F266-F290 HydrophobicContact CZ-CD1 4.33Å; F266-F290 HydrophobicContact CZ-CD2 4.22Å; F266-F290 AromaticContact CZ-CG 3.83Å; F266-F290 HydrophobicContact CZ-CG 3.83Å
267	P	97.6	Very high	94.9	Very high	48 Å²	48	52.2 Å²	52.2	31%	0.312	29%	0.285	S	S	.	.	S	Bend	cis	-76.7	152.7	-2.6	29.7	-34	0	0	0	113.8	V284 E285 F309	P267-V284 WeakPolarHBondContact CA-O 3.35Å; P267-E285 WeakPolarHBondContact CB-OE2 3.5Å; P267-F309 HydrophobicContact CB-CB 4.07Å; P267-F309 HydrophobicContact CG-CB 4.06Å; P267-F309 HydrophobicContact CG-CD1 4.08Å; P267-F309 HydrophobicContact CG-CG 4.43Å; P267-F309 WeakPolarHBondContact O-CB 3.25Å; P267-F309 PolarHBondContact O-N 2.91Å
268	V	98.1	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.4	178.8	-63.3	0	0	0	0	113	P264 T265 F266 V270 K283 V284 F290 E307	P264-V268 HydrophobicContact CB-CG1 3.79Å; P264-V268 HydrophobicContact CG-CB 4.45Å; P264-V268 HydrophobicContact CG-CG1 3.62Å; P264-V268 HydrophobicContact CG-CG2 4.13Å; T265-V268 VanDerWaalsContact O-CG1 3.27Å; T265-V268 WeakPolarHBondContact O-CG1 3.42Å; F266-V268 HydrophobicContact CD1-CG2 4Å; F266-V268 HydrophobicContact CE1-CG2 3.92Å; V268-V270 HydrophobicContact CG2-CG2 4.25Å; V268-K283 CarbonylContact O-C 3.53Å; V268-K283 WeakPolarHBondContact O-CA 3.43Å; V268-V284 HydrophobicContact CG2-CB 3.91Å; V268-V284 PolarHBondContact N-O 3.27Å; V268-V284 PolarHBondContact O-N 3.15Å; V268-F290 HydrophobicContact CG2-CD2 4.36Å; V268-E307 CarbonylContact C-O 3.57Å; V268-E307 VanDerWaalsContact CA-O 3.26Å; V268-E307 WeakPolarHBondContact CA-O 3.3Å; V268-E307 VanDerWaalsContact CB-O 3.29Å; V268-E307 WeakPolarHBondContact CB-O 3.42Å
269	V	98.3	Very high	94.6	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.5	162.8	178.4	0	0	0	0	108.7	K271 V282 A306 E307 F309 W337	V269-K271 HydrophobicContact CG1-CG 4.34Å; V269-V282 CarbonylContact C-O 3.59Å; V269-V282 WeakPolarHBondContact CA-O 3.36Å; V269-A306 WeakPolarHBondContact O-CA 3.22Å; V269-E307 HydrophobicContact CB-CG 4.2Å; V269-E307 PolarHBondContact N-O 2.87Å; V269-E307 PolarHBondContact O-N 2.95Å; V269-E307 VanDerWaalsContact O-N 3.12Å; V269-F309 HydrophobicContact CG2-CB 4.27Å; V269-F309 HydrophobicContact CG2-CD2 3.93Å; V269-W337 HydrophobicContact CG1-CH2 3.73Å; V269-W337 HydrophobicContact CG1-CZ3 4.09Å; V269-W337 HydrophobicContact CG2-CE3 4.48Å; V269-W337 HydrophobicContact CG2-CH2 3.95Å; V269-W337 HydrophobicContact CG2-CZ3 3.79Å
270	V	98.5	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.4	169.2	179.4	0	0	0	0	109.1	M260 V268 I272 K281 V282 V284 F290 I293 A304 T305 A306	M260-V270 HydrophobicContact CE-CG1 4.34Å; V268-V270 HydrophobicContact CG2-CG2 4.25Å; V270-I272 HydrophobicContact CG1-CG1 4.11Å; V270-K281 CarbonylContact O-C 3.38Å; V270-K281 VanDerWaalsContact O-CA 3.31Å; V270-K281 WeakPolarHBondContact O-CA 3.44Å; V270-V282 PolarHBondContact N-O 3.25Å; V270-V282 PolarHBondContact O-N 3.23Å; V270-V284 HydrophobicContact CB-CG2 4.32Å; V270-V284 HydrophobicContact CG2-CG2 3.69Å; V270-F290 HydrophobicContact CG2-CD2 4.05Å; V270-F290 HydrophobicContact CG2-CE2 3.87Å; V270-I293 HydrophobicContact CB-CG2 4.13Å; V270-I293 HydrophobicContact CG1-CG2 3.85Å; V270-I293 HydrophobicContact CG2-CG2 4.21Å; V270-A304 HydrophobicContact CG1-CB 4.45Å; V270-T305 CarbonylContact C-O 3.59Å; V270-T305 WeakPolarHBondContact CA-O 3.29Å; V270-A306 HydrophobicContact CG2-CB 4.27Å
271	K	98.5	Very high	94.6	Very high	30 Å²	30	46.3 Å²	46.3	13%	0.13	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.5	174.6	-52.4	177.7	171.2	161.9	0	108.6	V269 G280 K281 A304 T305 E307	V269-K271 HydrophobicContact CG1-CG 4.34Å; K271-G280 WeakPolarHBondContact CA-O 3.35Å; K271-K281 HydrophobicContact CB-CG 4.31Å; K271-K281 HydrophobicContact CG-CG 4.08Å; K271-A304 CarbonylContact O-C 3.58Å; K271-A304 VanDerWaalsContact O-CA 3.26Å; K271-A304 WeakPolarHBondContact O-CA 3.11Å; K271-T305 PolarHBondContact N-O 3.04Å; K271-T305 PolarHBondContact O-N 2.75Å; K271-E307 WeakPolarHBondContact CE-OE1 3.43Å; K271-E307 WeakPolarHBondContact CE-OE2 3.42Å; K271-E307 IonicContact NZ-OE1 2.7Å; K271-E307 PolarHBondContact NZ-OE1 3.18Å; K271-E307 IonicContact NZ-OE2 2.74Å; K271-E307 PolarHBondContact NZ-OE2 2.99Å
272	I	98.4	Very high	95	Very high	21 Å²	21	41.6 Å²	41.6	11%	0.108	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.8	-177.3	-49.2	-179.9	0	0	0	109.6	V270 G280 V296 V297 T300 T302	V270-I272 HydrophobicContact CG1-CG1 4.11Å; I272-G280 PolarHBondContact N-O 2.87Å; I272-V296 HydrophobicContact CD1-CG1 4.38Å; I272-V297 HydrophobicContact CD1-CG2 3.71Å; I272-V297 HydrophobicContact CG1-CG2 3.77Å; I272-V297 HydrophobicContact CG2-CG2 4.09Å; I272-T300 HydrophobicContact CG2-CG2 4.09Å; I272-T300 WeakPolarHBondContact CG2-OG1 3.14Å; I272-T302 HydrophobicContact CG2-CG2 4.25Å
273	G	98	Very high	95.6	Very high	9 Å²	9	40 Å²	40	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	56.9	-155.7	173.6	0	0	0	0	0	115.5	Y303	G273-Y303 VanDerWaalsContact C-CE2 3.46Å; G273-Y303 PolarHBondContact N-O 2.8Å; G273-Y303 WeakPolarHBondContact O-CE2 3.45Å
274	H	98.3	Very high	96.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	21%	0.21	C	C	.	.	S	Bend	trans	-98.7	109.4	172.3	-159.9	121.5	0	0	0	110.9	F192 M194 F224 C225 K227 H276	F192-H274 HydrophobicContact CD1-CB 3.72Å; F192-H274 AromaticContact CD1-CG 3.68Å; F192-H274 AromaticContact CD1-ND1 3.85Å; F192-H274 HydrophobicContact CE1-CB 3.55Å; M194-H274 WeakPolarHBondContact CB-O 3.35Å; M194-H274 HydrophobicContact CG-CB 4.08Å; M194-H274 WeakPolarHBondContact CG-O 3.46Å; M194-H274 PolarHBondContact N-O 3.17Å; M194-H274 PolarHBondContact SD-N 2.85Å; M194-H274 VanDerWaalsContact SD-N 3.44Å; F224-H274 PolarHBondContact O-CE1 2.83Å; F224-H274 VanDerWaalsContact O-CE1 3.31Å; C225-H274 VanDerWaalsContact C-CE1 3.47Å; C225-H274 PolarHBondContact O-CE1 3.13Å; C225-H274 PolarHBondContact O-ND1 2.61Å; K227-H274 WeakPolarHBondContact CE-NE2 3.45Å; K227-H274 VanDerWaalsContact CG-CE1 3.44Å; K227-H274 WeakPolarHBondContact CG-CE1 3.27Å; H274-H276 AromaticContact CD2-CE1 3.56Å; H274-H276 AromaticContact CD2-NE2 3.51Å; H274-H276 AromaticContact NE2-CE1 3.05Å; H274-H276 PolarHBondContact NE2-CE1 2.83Å; H274-H276 AromaticContact NE2-NE2 3.36Å; H274-H276 PolarHBondContact NE2-NE2 2.9Å
275	A	96.8	Very high	96.8	Very high	5 Å²	5	39 Å²	39	4%	0.041	22%	0.224	C	C	.	.			trans	-149.4	152.8	176.6	0	0	0	0	0	113.3	K227 M279 K281	K227-A275 PolarHBondContact NZ-O 3.39Å; K227-A275 VanDerWaalsContact NZ-O 3.17Å; A275-M279 HydrophobicContact CB-CB 4.08Å; A275-M279 HydrophobicContact CB-CG 4.19Å; A275-M279 HydrophobicContact CB-SD 4.17Å; A275-K281 PolarHBondContact O-NZ 3.16Å
276	H	95	Very high	97	Very high	26 Å²	26	35.5 Å²	35.5	12%	0.12	20%	0.2	C	C	.	.			trans	-107.1	-173.7	-175.8	-55.8	-61.4	0	0	0	111.8	H190 F192 K227 H274 G278 M279	H190-H276 AromaticContact CD2-CD2 3.26Å; H190-H276 PolarHBondContact CD2-CD2 3.05Å; H190-H276 AromaticContact CD2-CE1 3.98Å; H190-H276 AromaticContact CD2-CG 3.34Å; H190-H276 AromaticContact CD2-ND1 3.89Å; H190-H276 AromaticContact CD2-NE2 3.69Å; H190-H276 AromaticContact CE1-CE1 3.95Å; H190-H276 AromaticContact CE1-CG 3.95Å; H190-H276 AromaticContact CE1-ND1 3.76Å; H190-H276 AromaticContact CG-CD2 3.56Å; H190-H276 AromaticContact CG-CE1 3.76Å; H190-H276 AromaticContact CG-CG 3.89Å; H190-H276 AromaticContact CG-NE2 3.47Å; H190-H276 AromaticContact ND1-CE1 3.73Å; H190-H276 AromaticContact ND1-NE2 3.92Å; H190-H276 AromaticContact NE2-CD2 3.83Å; H190-H276 AromaticContact NE2-CG 3.39Å; H190-H276 AromaticContact NE2-ND1 3.66Å; F192-H276 PolarHBondContact O-NE2 3.29Å; K227-H276 PolarHBondContact NZ-ND1 3Å; H274-H276 AromaticContact CD2-CE1 3.56Å; H274-H276 AromaticContact CD2-NE2 3.51Å; H274-H276 AromaticContact NE2-CE1 3.05Å; H274-H276 PolarHBondContact NE2-CE1 2.83Å; H274-H276 AromaticContact NE2-NE2 3.36Å; H274-H276 PolarHBondContact NE2-NE2 2.9Å; H276-G278 PolarHBondContact O-N 3.36Å; H276-M279 WeakPolarHBondContact O-CB 3.32Å; H276-M279 PolarHBondContact O-N 2.96Å
277	S	93	Very high	97	Very high	109 Å²	109	36.3 Å²	36.3	76%	0.762	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.8	23.8	169.8	-58.9	0	0	0	0	118.6	N340	S277-N340 PolarHBondContact O-ND2 3.04Å
278	G	92.9	Very high	96.9	Very high	10 Å²	10	41 Å²	41	10%	0.103	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-1.8	-175.8	0	0	0	0	0	115.7	H276 K338	H276-G278 PolarHBondContact O-N 3.36Å; G278-K338 PolarHBondContact O-NZ 2.56Å
279	M	95.7	Very high	96.9	Very high	101 Å²	101	43.8 Å²	43.8	50%	0.498	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	147.5	171.9	-174.9	-165	-68.1	0	0	110.7	A195 A275 H276 K281	A195-M279 HydrophobicContact CB-CE 4.14Å; A195-M279 HydrophobicContact CB-SD 4.17Å; A275-M279 HydrophobicContact CB-CB 4.08Å; A275-M279 HydrophobicContact CB-CG 4.19Å; A275-M279 HydrophobicContact CB-SD 4.17Å; H276-M279 WeakPolarHBondContact O-CB 3.32Å; H276-M279 PolarHBondContact O-N 2.96Å; M279-K281 WeakPolarHBondContact O-CG 3.39Å; M279-K281 PolarHBondContact O-N 2.96Å; M279-K281 PolarHBondContact O-NZ 3.28Å
280	G	95.4	Very high	96.9	Very high	27 Å²	27	43.3 Å²	43.3	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	12.6	178.9	0	0	0	0	0	115	K271 I272	K271-G280 WeakPolarHBondContact CA-O 3.35Å; I272-G280 PolarHBondContact N-O 2.87Å
281	K	97.5	Very high	96.8	Very high	34 Å²	34	48.5 Å²	48.5	15%	0.148	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	-173.5	-61.2	170.4	-169.1	59.3	0	110.4	V270 K271 A275 M279 K338	V270-K281 CarbonylContact O-C 3.38Å; V270-K281 VanDerWaalsContact O-CA 3.31Å; V270-K281 WeakPolarHBondContact O-CA 3.44Å; K271-K281 HydrophobicContact CB-CG 4.31Å; K271-K281 HydrophobicContact CG-CG 4.08Å; A275-K281 PolarHBondContact O-NZ 3.16Å; M279-K281 WeakPolarHBondContact O-CG 3.39Å; M279-K281 PolarHBondContact O-N 2.96Å; M279-K281 PolarHBondContact O-NZ 3.28Å; K281-K338 WeakPolarHBondContact O-CE 3.09Å; K281-K338 PolarHBondContact O-NZ 3.17Å
282	V	97.9	Very high	96.8	Very high	51 Å²	51	52.2 Å²	52.2	31%	0.309	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.7	-170.9	-173.2	0	0	0	0	109.5	V269 V270 V284 I293	V269-V282 CarbonylContact C-O 3.59Å; V269-V282 WeakPolarHBondContact CA-O 3.36Å; V270-V282 PolarHBondContact N-O 3.25Å; V270-V282 PolarHBondContact O-N 3.23Å; V282-V284 HydrophobicContact CG1-CG2 4.31Å; V282-I293 HydrophobicContact CB-CD1 4.38Å; V282-I293 HydrophobicContact CG1-CD1 3.93Å; V282-I293 HydrophobicContact CG1-CG1 4.44Å; V282-I293 HydrophobicContact CG2-CD1 4.31Å
283	K	97.8	Very high	96.8	Very high	55 Å²	55	52.6 Å²	52.6	24%	0.239	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.7	168.4	-170.2	-166.6	176.7	-156.2	0	108.2	V268 E285 F309 W337	V268-K283 CarbonylContact O-C 3.53Å; V268-K283 WeakPolarHBondContact O-CA 3.43Å; K283-E285 WeakPolarHBondContact CD-OE1 3.4Å; K283-E285 VanDerWaalsContact CE-CD 3.47Å; K283-E285 VanDerWaalsContact CE-OE1 3.23Å; K283-E285 WeakPolarHBondContact CE-OE1 3.46Å; K283-E285 WeakPolarHBondContact CE-OE2 3.43Å; K283-E285 IonicContact NZ-OE1 2.69Å; K283-E285 PolarHBondContact NZ-OE1 2.9Å; K283-E285 IonicContact NZ-OE2 2.67Å; K283-E285 PolarHBondContact NZ-OE2 2.82Å; K283-F309 HydrophobicContact CD-CD1 4.45Å; K283-F309 HydrophobicContact CD-CD2 3.64Å; K283-F309 HydrophobicContact CD-CE1 4.49Å; K283-F309 HydrophobicContact CD-CE2 3.68Å; K283-F309 HydrophobicContact CD-CG 4.05Å; K283-F309 HydrophobicContact CD-CZ 4.13Å; K283-F309 VanDerWaalsContact CE-CG 3.44Å; K283-F309 HydrophobicContact CG-CD2 3.75Å; K283-F309 HydrophobicContact CG-CE2 4.23Å; K283-F309 HydrophobicContact CG-CG 4.19Å; K283-W337 HydrophobicContact CB-CZ2 3.96Å
284	V	98.1	Very high	96.8	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.3	-174.4	-176.4	0	0	0	0	107.6	F266 P267 V268 V270 V282 D289 F290 I293	F266-V284 HydrophobicContact CD1-CG1 4.42Å; F266-V284 HydrophobicContact CE1-CG1 3.98Å; P267-V284 WeakPolarHBondContact CA-O 3.35Å; V268-V284 HydrophobicContact CG2-CB 3.91Å; V268-V284 PolarHBondContact N-O 3.27Å; V268-V284 PolarHBondContact O-N 3.15Å; V270-V284 HydrophobicContact CB-CG2 4.32Å; V270-V284 HydrophobicContact CG2-CG2 3.69Å; V282-V284 HydrophobicContact CG1-CG2 4.31Å; V284-D289 HydrophobicContact CG1-CB 3.59Å; V284-F290 HydrophobicContact CG1-CB 3.84Å; V284-F290 HydrophobicContact CG1-CD2 4.22Å; V284-I293 HydrophobicContact CG2-CG1 4.14Å
285	E	97.6	Very high	96.7	Very high	99 Å²	99	55.9 Å²	55.9	46%	0.463	30%	0.299	S	S	.	.			trans	-89.9	-24.4	-169.1	-54.1	-71.7	-172.2	0	0	112.5	F266 P267 K283 D289	F266-E285 WeakPolarHBondContact CB-O 3.45Å; P267-E285 WeakPolarHBondContact CB-OE2 3.5Å; K283-E285 WeakPolarHBondContact CD-OE1 3.4Å; K283-E285 VanDerWaalsContact CE-CD 3.47Å; K283-E285 VanDerWaalsContact CE-OE1 3.23Å; K283-E285 WeakPolarHBondContact CE-OE1 3.46Å; K283-E285 WeakPolarHBondContact CE-OE2 3.43Å; K283-E285 IonicContact NZ-OE1 2.69Å; K283-E285 PolarHBondContact NZ-OE1 2.9Å; K283-E285 IonicContact NZ-OE2 2.67Å; K283-E285 PolarHBondContact NZ-OE2 2.82Å; E285-D289 PolarHBondContact N-OD2 3.46Å
286	N	96.8	Very high	96.8	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-155.1	176.6	-178.9	80.7	91.1	0	0	0	113.6	Y288 D289 F290	N286-Y288 PolarHBondContact O-N 2.71Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.14Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.47Å; N286-Y288 PolarHBondContact OD1-N 2.9Å; N286-D289 PolarHBondContact N-OD2 3.13Å; N286-D289 PolarHBondContact ND2-OD1 3.15Å; N286-D289 PolarHBondContact ND2-OD2 3.42Å; N286-D289 PolarHBondContact O-N 3.13Å; N286-F290 PolarHBondContact O-N 2.84Å; N286-F290 VanDerWaalsContact O-N 3.13Å
287	H	96.6	Very high	97	Very high	71 Å²	71	57.4 Å²	57.4	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-25.3	-176	67	-24.4	0	0	0	116.8	L263 F266 Q291	L263-H287 HydrophobicContact CD1-CB 4.32Å; L263-H287 HydrophobicContact CD2-CB 4.16Å; F266-H287 HydrophobicContact CE2-CB 3.92Å; F266-H287 HydrophobicContact CZ-CB 4.25Å; H287-Q291 WeakPolarHBondContact O-CG 3.48Å; H287-Q291 PolarHBondContact O-N 2.82Å
288	Y	96.6	Very high	97.2	Very high	148 Å²	148	53.3 Å²	53.3	58%	0.58	28%	0.282	S	S	*	.	H	α-helix	trans	-73	-51.4	176.3	-62.8	-58.5	0	0	0	109.7	N286 F290 Q291 D292	N286-Y288 PolarHBondContact O-N 2.71Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.14Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.47Å; N286-Y288 PolarHBondContact OD1-N 2.9Å; Y288-F290 PolarHBondContact O-N 2.79Å; Y288-F290 VanDerWaalsContact O-N 3.11Å; Y288-Q291 WeakPolarHBondContact O-CB 3.35Å; Y288-Q291 PolarHBondContact O-N 2.83Å; Y288-D292 PolarHBondContact O-N 2.95Å
289	D	97.7	Very high	97.4	Very high	58 Å²	58	59.9 Å²	59.9	31%	0.31	31%	0.314	S	S	.	.	H	α-helix	trans	-51.4	-36.4	171.7	-46.5	-3.7	0	0	0	111.5	V284 E285 N286 I293	V284-D289 HydrophobicContact CG1-CB 3.59Å; E285-D289 PolarHBondContact N-OD2 3.46Å; N286-D289 PolarHBondContact N-OD2 3.13Å; N286-D289 PolarHBondContact ND2-OD1 3.15Å; N286-D289 PolarHBondContact ND2-OD2 3.42Å; N286-D289 PolarHBondContact O-N 3.13Å; D289-I293 WeakPolarHBondContact O-CB 3.49Å; D289-I293 VanDerWaalsContact O-CG1 3.23Å; D289-I293 WeakPolarHBondContact O-CG1 3.42Å; D289-I293 PolarHBondContact O-N 3.13Å
290	F	97.9	Very high	97.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-37.2	178.3	-167.9	-106.4	0	0	0	113.1	Y254 M260 L263 P264 F266 V268 V270 V284 N286 Y288 A294 A306	Y254-F290 HydrophobicContact CE2-CZ 4.26Å; M260-F290 HydrophobicContact CB-CE1 3.99Å; M260-F290 HydrophobicContact CB-CZ 4.21Å; M260-F290 HydrophobicContact CE-CD2 4.45Å; M260-F290 HydrophobicContact CE-CE1 4.35Å; M260-F290 HydrophobicContact CE-CE2 3.85Å; M260-F290 HydrophobicContact CE-CZ 3.79Å; M260-F290 VanDerWaalsContact O-CE1 3.32Å; M260-F290 WeakPolarHBondContact O-CE1 3.36Å; L263-F290 HydrophobicContact CD2-CD1 3.94Å; L263-F290 HydrophobicContact CD2-CE1 4.39Å; P264-F290 HydrophobicContact CG-CE2 4.13Å; P264-F290 HydrophobicContact CG-CZ 4.25Å; F266-F290 HydrophobicContact CE1-CB 3.75Å; F266-F290 HydrophobicContact CE1-CD2 4Å; F266-F290 AromaticContact CE1-CG 4Å; F266-F290 HydrophobicContact CE1-CG 4Å; F266-F290 HydrophobicContact CZ-CB 3.65Å; F266-F290 HydrophobicContact CZ-CD1 4.33Å; F266-F290 HydrophobicContact CZ-CD2 4.22Å; F266-F290 AromaticContact CZ-CG 3.83Å; F266-F290 HydrophobicContact CZ-CG 3.83Å; V268-F290 HydrophobicContact CG2-CD2 4.36Å; V270-F290 HydrophobicContact CG2-CD2 4.05Å; V270-F290 HydrophobicContact CG2-CE2 3.87Å; V284-F290 HydrophobicContact CG1-CB 3.84Å; V284-F290 HydrophobicContact CG1-CD2 4.22Å; N286-F290 PolarHBondContact O-N 2.84Å; N286-F290 VanDerWaalsContact O-N 3.13Å; Y288-F290 PolarHBondContact O-N 2.79Å; Y288-F290 VanDerWaalsContact O-N 3.11Å; F290-A294 WeakPolarHBondContact O-CB 3.38Å; F290-A294 PolarHBondContact O-N 3.32Å; F290-A306 HydrophobicContact CE2-CB 4.25Å
291	Q	97	Very high	97.5	Very high	109 Å²	109	64 Å²	64	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-68.5	-42	173.9	-70.6	170.9	12.6	0	0	111.1	H287 Y288 A294 S295	H287-Q291 WeakPolarHBondContact O-CG 3.48Å; H287-Q291 PolarHBondContact O-N 2.82Å; Y288-Q291 WeakPolarHBondContact O-CB 3.35Å; Y288-Q291 PolarHBondContact O-N 2.83Å; Q291-A294 WeakPolarHBondContact O-CB 3.49Å; Q291-A294 PolarHBondContact O-N 2.8Å; Q291-S295 PolarHBondContact O-N 2.77Å
292	D	97.8	Very high	97.6	Very high	108 Å²	108	63.5 Å²	63.5	58%	0.578	33%	0.329	S	S	*	.	H	α-helix	trans	-60.9	-45.8	173.9	-72.8	-19.2	0	0	0	111	Y288 A294 S295 V296	Y288-D292 PolarHBondContact O-N 2.95Å; D292-A294 PolarHBondContact O-N 3.16Å; D292-S295 WeakPolarHBondContact O-CB 3.34Å; D292-S295 PolarHBondContact O-N 3.12Å; D292-S295 VanDerWaalsContact O-N 3.11Å; D292-S295 PolarHBondContact O-OG 3.03Å; D292-V296 PolarHBondContact O-N 2.77Å; D292-V296 VanDerWaalsContact O-N 3.13Å
293	I	98.1	Very high	97.6	Very high	29 Å²	29	62.3 Å²	62.3	15%	0.149	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-34.8	176	-69.4	-66.5	0	0	0	112.2	V270 V282 V284 D289 S295 V296 V297	V270-I293 HydrophobicContact CB-CG2 4.13Å; V270-I293 HydrophobicContact CG1-CG2 3.85Å; V270-I293 HydrophobicContact CG2-CG2 4.21Å; V282-I293 HydrophobicContact CB-CD1 4.38Å; V282-I293 HydrophobicContact CG1-CD1 3.93Å; V282-I293 HydrophobicContact CG1-CG1 4.44Å; V282-I293 HydrophobicContact CG2-CD1 4.31Å; V284-I293 HydrophobicContact CG2-CG1 4.14Å; D289-I293 WeakPolarHBondContact O-CB 3.49Å; D289-I293 VanDerWaalsContact O-CG1 3.23Å; D289-I293 WeakPolarHBondContact O-CG1 3.42Å; D289-I293 PolarHBondContact O-N 3.13Å; I293-S295 VanDerWaalsContact C-N 3.27Å; I293-S295 PolarHBondContact O-N 3.27Å; I293-V296 WeakPolarHBondContact O-CB 3.31Å; I293-V296 PolarHBondContact O-N 2.73Å; I293-V296 VanDerWaalsContact O-N 3.12Å; I293-V297 WeakPolarHBondContact O-CG2 3.36Å; I293-V297 PolarHBondContact O-N 3.49Å
294	A	97.8	Very high	97.6	Very high	11 Å²	11	59.7 Å²	59.7	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-35.9	171.1	0	0	0	0	0	111.9	H257 M260 F290 Q291 D292 V296 V297 A298	H257-A294 VanDerWaalsContact CB-O 3.31Å; H257-A294 WeakPolarHBondContact CB-O 3.4Å; M260-A294 HydrophobicContact CB-CB 3.79Å; M260-A294 HydrophobicContact CE-CB 3.98Å; M260-A294 HydrophobicContact CG-CB 4.47Å; M260-A294 HydrophobicContact SD-CB 3.96Å; F290-A294 WeakPolarHBondContact O-CB 3.38Å; F290-A294 PolarHBondContact O-N 3.32Å; Q291-A294 WeakPolarHBondContact O-CB 3.49Å; Q291-A294 PolarHBondContact O-N 2.8Å; D292-A294 PolarHBondContact O-N 3.16Å; A294-V296 VanDerWaalsContact C-N 3.34Å; A294-V297 PolarHBondContact O-N 3.18Å; A294-A298 PolarHBondContact O-N 3.1Å
295	S	97.6	Very high	97.6	Very high	70 Å²	70	60 Å²	60	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-35.1	172.5	87.2	0	0	0	0	112.6	Q291 D292 I293 A298 L299	Q291-S295 PolarHBondContact O-N 2.77Å; D292-S295 WeakPolarHBondContact O-CB 3.34Å; D292-S295 PolarHBondContact O-N 3.12Å; D292-S295 VanDerWaalsContact O-N 3.11Å; D292-S295 PolarHBondContact O-OG 3.03Å; I293-S295 VanDerWaalsContact C-N 3.27Å; I293-S295 PolarHBondContact O-N 3.27Å; S295-A298 VanDerWaalsContact O-CB 3.28Å; S295-A298 WeakPolarHBondContact O-CB 3.28Å; S295-A298 PolarHBondContact O-N 3.29Å; S295-L299 PolarHBondContact O-N 2.83Å
296	V	98.1	Very high	97.7	Very high	64 Å²	64	55.3 Å²	55.3	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-41	172.6	178.5	0	0	0	0	111.1	I272 D292 I293 A294 A298 L299 T300	I272-V296 HydrophobicContact CD1-CG1 4.38Å; D292-V296 PolarHBondContact O-N 2.77Å; D292-V296 VanDerWaalsContact O-N 3.13Å; I293-V296 WeakPolarHBondContact O-CB 3.31Å; I293-V296 PolarHBondContact O-N 2.73Å; I293-V296 VanDerWaalsContact O-N 3.12Å; A294-V296 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.31Å; V296-L299 WeakPolarHBondContact O-CB 3.4Å; V296-L299 PolarHBondContact O-N 2.82Å; V296-T300 PolarHBondContact O-N 2.94Å
297	V	98.2	Very high	97.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-34.6	172.4	176.8	0	0	0	0	110.9	H257 M260 I272 I293 A294 L299 T300 Q301 A304	H257-V297 HydrophobicContact CB-CB 4.16Å; H257-V297 HydrophobicContact CB-CG1 4.01Å; M260-V297 HydrophobicContact CE-CG2 4.33Å; M260-V297 HydrophobicContact SD-CB 4.06Å; M260-V297 HydrophobicContact SD-CG1 4.14Å; M260-V297 HydrophobicContact SD-CG2 3.89Å; I272-V297 HydrophobicContact CD1-CG2 3.71Å; I272-V297 HydrophobicContact CG1-CG2 3.77Å; I272-V297 HydrophobicContact CG2-CG2 4.09Å; I293-V297 WeakPolarHBondContact O-CG2 3.36Å; I293-V297 PolarHBondContact O-N 3.49Å; A294-V297 PolarHBondContact O-N 3.18Å; V297-L299 VanDerWaalsContact C-N 3.29Å; V297-L299 PolarHBondContact O-N 2.95Å; V297-T300 WeakPolarHBondContact CA-OG1 3.47Å; V297-T300 PolarHBondContact O-N 2.68Å; V297-T300 VanDerWaalsContact O-N 3.16Å; V297-T300 PolarHBondContact O-OG1 3.41Å; V297-Q301 PolarHBondContact O-N 3.03Å; V297-A304 HydrophobicContact CG1-CB 4.04Å; V297-A304 HydrophobicContact CG2-CB 3.93Å
298	A	98.1	Very high	97.8	Very high	23 Å²	23	52.2 Å²	52.2	19%	0.19	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-32.1	174.7	0	0	0	0	0	113.7	H257 A294 S295 V296 Q301	H257-A298 HydrophobicContact CB-CB 4.05Å; H257-A298 WeakPolarHBondContact ND1-CA 3.36Å; A294-A298 PolarHBondContact O-N 3.1Å; S295-A298 VanDerWaalsContact O-CB 3.28Å; S295-A298 WeakPolarHBondContact O-CB 3.28Å; S295-A298 PolarHBondContact O-N 3.29Å; V296-A298 PolarHBondContact O-N 3.31Å; A298-Q301 PolarHBondContact O-NE2 2.7Å
299	L	98	Very high	97.9	Very high	148 Å²	148	47.2 Å²	47.2	78%	0.775	26%	0.257	S	S	*	.	H	α-helix	trans	-72.1	-33.2	174.1	-60.5	178.4	0	0	0	112.4	S295 V296 V297 Q301	S295-L299 PolarHBondContact O-N 2.83Å; V296-L299 WeakPolarHBondContact O-CB 3.4Å; V296-L299 PolarHBondContact O-N 2.82Å; V297-L299 VanDerWaalsContact C-N 3.29Å; V297-L299 PolarHBondContact O-N 2.95Å; L299-Q301 VanDerWaalsContact C-N 3.31Å; L299-Q301 PolarHBondContact O-N 2.75Å
300	T	96.8	Very high	97.9	Very high	56 Å²	56	45.8 Å²	45.8	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-77.2	-9.1	-179.7	60.1	0	0	0	0	115.2	I272 V296 V297 T302	I272-T300 HydrophobicContact CG2-CG2 4.09Å; I272-T300 WeakPolarHBondContact CG2-OG1 3.14Å; V296-T300 PolarHBondContact O-N 2.94Å; V297-T300 WeakPolarHBondContact CA-OG1 3.47Å; V297-T300 PolarHBondContact O-N 2.68Å; V297-T300 VanDerWaalsContact O-N 3.16Å; V297-T300 PolarHBondContact O-OG1 3.41Å; T300-T302 PolarHBondContact O-N 3.32Å; T300-T302 VanDerWaalsContact O-N 3.08Å
301	Q	96.4	Very high	97.7	Very high	158 Å²	158	49.8 Å²	49.8	74%	0.738	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	34.4	176.3	-65.2	-69.1	-52.2	0	0	114.5	V297 A298 L299	V297-Q301 PolarHBondContact O-N 3.03Å; A298-Q301 PolarHBondContact O-NE2 2.7Å; L299-Q301 VanDerWaalsContact C-N 3.31Å; L299-Q301 PolarHBondContact O-N 2.75Å
302	T	97.9	Very high	97.7	Very high	24 Å²	24	46 Å²	46	15%	0.147	26%	0.256	C	S	.	.	S	Bend	trans	-140.1	-178.4	-174.6	-166.4	0	0	0	0	111.9	M194 I272 T300	M194-T302 HydrophobicContact CE-CG2 3.75Å; M194-T302 HydrophobicContact SD-CG2 3.86Å; I272-T302 HydrophobicContact CG2-CG2 4.25Å; T300-T302 PolarHBondContact O-N 3.32Å; T300-T302 VanDerWaalsContact O-N 3.08Å
303	Y	98.4	Very high	97.6	Very high	25 Å²	25	45.1 Å²	45.1	10%	0.098	25%	0.247	C	C	.	.			trans	-74.4	163.7	175.8	60.4	-105.7	0	0	0	112.9	D226 P228 Y253 Y254 G273	D226-Y303 WeakPolarHBondContact OD1-CE1 3.5Å; D226-Y303 PolarHBondContact OD1-OH 3.39Å; P228-Y303 VanDerWaalsContact CD-CE2 3.41Å; P228-Y303 WeakPolarHBondContact CD-OH 3.31Å; P228-Y303 HydrophobicContact CG-CD2 3.63Å; P228-Y303 HydrophobicContact CG-CE2 3.36Å; P228-Y303 HydrophobicContact CG-CG 4.33Å; Y253-Y303 HydrophobicContact CE2-CD2 4.22Å; Y253-Y303 AromaticContact CE2-CG 3.89Å; Y253-Y303 HydrophobicContact CE2-CG 3.89Å; Y254-Y303 VanDerWaalsContact O-CA 3.31Å; Y254-Y303 WeakPolarHBondContact O-CA 3.44Å; Y254-Y303 WeakPolarHBondContact O-CB 3.35Å; G273-Y303 VanDerWaalsContact C-CE2 3.46Å; G273-Y303 PolarHBondContact N-O 2.8Å; G273-Y303 WeakPolarHBondContact O-CE2 3.45Å
304	A	98.6	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163	166.3	0	0	0	0	0	110.7	Y254 M260 V270 K271 V297	Y254-A304 PolarHBondContact N-O 3.37Å; Y254-A304 PolarHBondContact O-N 2.88Å; M260-A304 HydrophobicContact SD-CB 4.2Å; V270-A304 HydrophobicContact CG1-CB 4.45Å; K271-A304 CarbonylContact O-C 3.58Å; K271-A304 VanDerWaalsContact O-CA 3.26Å; K271-A304 WeakPolarHBondContact O-CA 3.11Å; V297-A304 HydrophobicContact CG1-CB 4.04Å; V297-A304 HydrophobicContact CG2-CB 3.93Å
305	T	98.5	Very high	97.4	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.1	165.2	70.6	0	0	0	0	110.5	P228 Q251 T252 Y253 V270 K271	P228-T305 HydrophobicContact CG-CG2 4.1Å; Q251-T305 HydrophobicContact CG-CG2 4.37Å; T252-T305 CarbonylContact O-C 3.51Å; T252-T305 WeakPolarHBondContact O-CA 3.39Å; T252-T305 WeakPolarHBondContact O-CB 3.48Å; Y253-T305 HydrophobicContact CD2-CG2 4Å; V270-T305 CarbonylContact C-O 3.59Å; V270-T305 WeakPolarHBondContact CA-O 3.29Å; K271-T305 PolarHBondContact N-O 3.04Å; K271-T305 PolarHBondContact O-N 2.75Å
306	A	98.4	Very high	97.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139	168	0	0	0	0	0	110.1	Q251 T252 Y254 V269 V270 F290	Q251-A306 CarbonylContact C-O 3.52Å; Q251-A306 WeakPolarHBondContact CA-O 3.36Å; T252-A306 PolarHBondContact N-O 3.05Å; T252-A306 PolarHBondContact O-N 3.36Å; Y254-A306 HydrophobicContact CE2-CB 3.76Å; V269-A306 WeakPolarHBondContact O-CA 3.22Å; V270-A306 HydrophobicContact CG2-CB 4.27Å; F290-A306 HydrophobicContact CE2-CB 4.25Å
307	E	97.9	Very high	97.5	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.4	176.9	61.5	-165.1	-150.3	0	0	110.2	I249 E250 Q251 V268 V269 K271 F309	I249-E307 HydrophobicContact CD1-CB 4.05Å; I249-E307 HydrophobicContact CD1-CG 4.06Å; I249-E307 HydrophobicContact CG1-CB 4.33Å; I249-E307 HydrophobicContact CG2-CB 4.45Å; E250-E307 WeakPolarHBondContact O-CA 3.32Å; E250-E307 WeakPolarHBondContact O-CB 3.33Å; Q251-E307 HydrophobicContact CB-CB 4.25Å; Q251-E307 HydrophobicContact CG-CB 4.28Å; Q251-E307 PolarHBondContact NE2-OE2 3.3Å; V268-E307 CarbonylContact C-O 3.57Å; V268-E307 VanDerWaalsContact CA-O 3.26Å; V268-E307 WeakPolarHBondContact CA-O 3.3Å; V268-E307 VanDerWaalsContact CB-O 3.29Å; V268-E307 WeakPolarHBondContact CB-O 3.42Å; V269-E307 HydrophobicContact CB-CG 4.2Å; V269-E307 PolarHBondContact N-O 2.87Å; V269-E307 PolarHBondContact O-N 2.95Å; V269-E307 VanDerWaalsContact O-N 3.12Å; K271-E307 WeakPolarHBondContact CE-OE1 3.43Å; K271-E307 WeakPolarHBondContact CE-OE2 3.42Å; K271-E307 IonicContact NZ-OE1 2.7Å; K271-E307 PolarHBondContact NZ-OE1 3.18Å; K271-E307 IonicContact NZ-OE2 2.74Å; K271-E307 PolarHBondContact NZ-OE2 2.99Å; E307-F309 PolarHBondContact O-N 3.45Å
308	P	98.1	Very high	97.5	Very high	43 Å²	43	41.1 Å²	41.1	28%	0.279	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	136.4	177.1	-26.1	35.5	0	0	0	112.2	E250 I310	E250-P308 HydrophobicContact CB-CG 4.33Å; E250-P308 WeakPolarHBondContact O-CD 3.21Å; P308-I310 HydrophobicContact CB-CD1 4.38Å; P308-I310 PolarHBondContact O-N 2.83Å
309	F	98	Very high	97.5	Very high	42 Å²	42	40.2 Å²	40.2	18%	0.184	20%	0.204	C	C	.	.			trans	-72.5	114.7	171.6	170.8	-91.8	0	0	0	109.6	P267 V269 K283 E307 D311 W337	P267-F309 HydrophobicContact CB-CB 4.07Å; P267-F309 HydrophobicContact CG-CB 4.06Å; P267-F309 HydrophobicContact CG-CD1 4.08Å; P267-F309 HydrophobicContact CG-CG 4.43Å; P267-F309 WeakPolarHBondContact O-CB 3.25Å; P267-F309 PolarHBondContact O-N 2.91Å; V269-F309 HydrophobicContact CG2-CB 4.27Å; V269-F309 HydrophobicContact CG2-CD2 3.93Å; K283-F309 HydrophobicContact CD-CD1 4.45Å; K283-F309 HydrophobicContact CD-CD2 3.64Å; K283-F309 HydrophobicContact CD-CE1 4.49Å; K283-F309 HydrophobicContact CD-CE2 3.68Å; K283-F309 HydrophobicContact CD-CG 4.05Å; K283-F309 HydrophobicContact CD-CZ 4.13Å; K283-F309 VanDerWaalsContact CE-CG 3.44Å; K283-F309 HydrophobicContact CG-CD2 3.75Å; K283-F309 HydrophobicContact CG-CE2 4.23Å; K283-F309 HydrophobicContact CG-CG 4.19Å; E307-F309 PolarHBondContact O-N 3.45Å; F309-D311 HydrophobicContact CE1-CB 4.31Å; F309-W337 HydrophobicContact CE2-CB 3.85Å; F309-W337 HydrophobicContact CE2-CD2 4.16Å; F309-W337 HydrophobicContact CE2-CE3 4.25Å; F309-W337 HydrophobicContact CE2-CG 4.02Å; F309-W337 HydrophobicContact CZ-CB 4.21Å
310	I	97.6	Very high	97.6	Very high	28 Å²	28	34.3 Å²	34.3	14%	0.144	17%	0.172	C	C	.	.			trans	-88	120	176.1	-50.7	-54	0	0	0	109.4	I249 P308 S312 V377 Y385	I249-I310 HydrophobicContact CD1-CD1 4.35Å; I249-I310 HydrophobicContact CD1-CG1 3.96Å; P308-I310 HydrophobicContact CB-CD1 4.38Å; P308-I310 PolarHBondContact O-N 2.83Å; I310-S312 PolarHBondContact O-N 3.44Å; I310-V377 HydrophobicContact CB-CG1 3.95Å; I310-V377 HydrophobicContact CG1-CG1 3.98Å; I310-V377 HydrophobicContact CG2-CG1 4.1Å; I310-V377 HydrophobicContact CG2-CG2 4.44Å; I310-Y385 HydrophobicContact CD1-CD1 3.97Å; I310-Y385 HydrophobicContact CD1-CD2 3.98Å; I310-Y385 HydrophobicContact CD1-CE1 3.87Å; I310-Y385 HydrophobicContact CD1-CE2 3.89Å; I310-Y385 HydrophobicContact CD1-CG 4.01Å; I310-Y385 HydrophobicContact CG1-CD1 4.43Å; I310-Y385 HydrophobicContact CG1-CD2 3.96Å; I310-Y385 HydrophobicContact CG1-CE2 4.31Å; I310-Y385 HydrophobicContact CG1-CG 4.02Å; I310-Y385 HydrophobicContact CG2-CD2 3.84Å; I310-Y385 HydrophobicContact CG2-CE2 3.93Å
311	D	95.5	Very high	97.7	Very high	84 Å²	84	31.8 Å²	31.8	45%	0.449	16%	0.157	S	C	.	.			trans	-72.7	96.2	169.4	-172.2	14.1	0	0	0	109.7	F309 G379 K380	F309-D311 HydrophobicContact CE1-CB 4.31Å; D311-G379 CarbonylContact O-C 3.49Å; D311-K380 WeakPolarHBondContact O-CG 3.17Å; D311-K380 PolarHBondContact O-N 3.46Å; D311-K380 WeakPolarHBondContact OD1-CE 3.47Å; D311-K380 IonicContact OD1-NZ 2.78Å; D311-K380 PolarHBondContact OD1-NZ 3.4Å; D311-K380 VanDerWaalsContact OD2-CD 3.3Å; D311-K380 WeakPolarHBondContact OD2-CD 3.36Å; D311-K380 WeakPolarHBondContact OD2-CE 3.44Å; D311-K380 IonicContact OD2-NZ 2.7Å; D311-K380 PolarHBondContact OD2-NZ 2.85Å
312	S	95.4	Very high	97.7	Very high	31 Å²	31	25 Å²	25	22%	0.217	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145.6	-168.7	62.8	0	0	0	0	113.9	I310 K380	I310-S312 PolarHBondContact O-N 3.44Å; S312-K380 WeakPolarHBondContact O-CE 3.31Å
313	K	95.3	Very high	97.7	Very high	88 Å²	88	30.4 Å²	30.4	38%	0.383	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-45.2	152.8	-58	-169.8	-171.9	86.4	0	110.6	H378 G379 K380	K313-H378 PolarHBondContact N-O 2.92Å; K313-H378 PolarHBondContact NZ-NE2 2.84Å; K313-G379 PolarHBondContact NZ-O 3.25Å; K313-K380 HydrophobicContact CG-CB 4.48Å; K313-K380 HydrophobicContact CG-CG 3.88Å; K313-K380 PolarHBondContact NZ-O 2.81Å
314	Y	96.4	Very high	97.7	Very high	48 Å²	48	33 Å²	33	19%	0.188	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	159.3	-176.8	47.9	-100.7	0	0	0	112	I316 M329 R330 H378	Y314-I316 HydrophobicContact CD2-CG1 3.93Å; Y314-I316 HydrophobicContact CE2-CD1 4.08Å; Y314-I316 HydrophobicContact CE2-CG1 3.81Å; Y314-M329 HydrophobicContact CD1-CE 4.08Å; Y314-M329 HydrophobicContact CD1-CG 4.17Å; Y314-M329 HydrophobicContact CD1-SD 3.54Å; Y314-M329 VanDerWaalsContact CD1-SD 3.54Å; Y314-M329 HydrophobicContact CD2-CE 3.91Å; Y314-M329 HydrophobicContact CD2-CG 3.57Å; Y314-M329 HydrophobicContact CD2-SD 3.87Å; Y314-M329 HydrophobicContact CE1-CE 3.75Å; Y314-M329 HydrophobicContact CE1-SD 3.82Å; Y314-M329 HydrophobicContact CE2-CE 3.54Å; Y314-M329 HydrophobicContact CE2-CG 4.2Å; Y314-M329 HydrophobicContact CE2-SD 4.1Å; Y314-M329 HydrophobicContact CG-CE 4.16Å; Y314-M329 HydrophobicContact CG-CG 3.54Å; Y314-M329 HydrophobicContact CG-SD 3.57Å; Y314-M329 VanDerWaalsContact CG-SD 3.57Å; Y314-M329 VanDerWaalsContact CZ-CE 3.46Å; Y314-R330 WeakPolarHBondContact CA-O 3.31Å; Y314-R330 WeakPolarHBondContact CB-O 3.32Å; Y314-H378 HydrophobicContact CD2-CB 3.7Å; Y314-H378 HydrophobicContact CE1-CB 4.45Å; Y314-H378 AromaticContact CE1-CD2 3.89Å; Y314-H378 HydrophobicContact CE2-CB 3.3Å; Y314-H378 AromaticContact CE2-CG 3.72Å; Y314-H378 HydrophobicContact CG-CB 4.43Å; Y314-H378 AromaticContact CZ-CD2 3.58Å; Y314-H378 AromaticContact CZ-CG 3.62Å; Y314-H378 PolarHBondContact O-N 2.83Å
315	D	96.8	Very high	97.8	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.107	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	150.7	163.5	-73	35.8	0	0	0	110.2	M329 R330 T339	D315-M329 WeakPolarHBondContact O-CA 3.21Å; D315-R330 HydrophobicContact CB-CB 4.26Å; D315-R330 PolarHBondContact N-O 2.76Å; D315-R330 PolarHBondContact O-N 3.26Å; D315-R330 IonicContact OD2-CZ 3.27Å; D315-R330 IonicContact OD2-NE 2.68Å; D315-R330 IonicContact OD2-NH2 2.73Å; D315-R330 PolarHBondContact OD2-NH2 2.88Å; D315-T339 WeakPolarHBondContact OD1-CG2 3.16Å; D315-T339 PolarHBondContact OD1-OG1 2.8Å; D315-T339 PolarHBondContact OD2-OG1 3.3Å
316	I	98.2	Very high	97.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	166.3	-56.2	165.5	0	0	0	108.3	Y314 V318 Y328 Y355 K375 A376 H378	Y314-I316 HydrophobicContact CD2-CG1 3.93Å; Y314-I316 HydrophobicContact CE2-CD1 4.08Å; Y314-I316 HydrophobicContact CE2-CG1 3.81Å; I316-V318 HydrophobicContact CG2-CG2 4.02Å; I316-Y328 WeakPolarHBondContact CA-O 3.32Å; I316-Y355 HydrophobicContact CD1-CE1 4.2Å; I316-Y355 HydrophobicContact CG2-CE1 4.25Å; I316-K375 WeakPolarHBondContact O-CA 3.43Å; I316-A376 HydrophobicContact CB-CB 4.39Å; I316-A376 PolarHBondContact N-O 3.12Å; I316-A376 PolarHBondContact O-N 3.3Å; I316-A376 VanDerWaalsContact O-O 3.07Å; I316-H378 HydrophobicContact CD1-CB 4.18Å
317	R	98.6	Very high	97.8	Very high	21 Å²	21	36.2 Å²	36.2	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124	164.6	172.4	177.3	157.9	174.3	-5.4	109.6	A327 Y328 A373 V374 P395	R317-A327 CarbonylContact O-C 3.22Å; R317-A327 WeakPolarHBondContact O-CA 3.48Å; R317-Y328 PolarHBondContact N-O 3.01Å; R317-Y328 PolarHBondContact O-N 2.77Å; R317-A373 HydrophobicContact CG-CB 4.05Å; R317-V374 WeakPolarHBondContact CA-O 3.34Å; R317-P395 PolarHBondContact NH1-O 2.79Å; R317-P395 PolarHBondContact NH2-O 2.85Å
318	V	98.8	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.4	171.9	-169.7	0	0	0	0	108.2	I316 A327 M351 Y355 W358 V359 A373 V374	I316-V318 HydrophobicContact CG2-CG2 4.02Å; V318-A327 HydrophobicContact CG2-CB 4.48Å; V318-M351 HydrophobicContact CG1-CE 3.84Å; V318-M351 HydrophobicContact CG1-SD 3.87Å; V318-Y355 HydrophobicContact CG2-CD1 4.06Å; V318-Y355 HydrophobicContact CG2-CD2 4.43Å; V318-Y355 HydrophobicContact CG2-CG 3.82Å; V318-W358 HydrophobicContact CG2-CE3 4.33Å; V318-V359 HydrophobicContact CB-CB 4.44Å; V318-V359 HydrophobicContact CG1-CB 3.98Å; V318-V359 HydrophobicContact CG1-CG1 3.82Å; V318-A373 CarbonylContact O-C 3.54Å; V318-A373 WeakPolarHBondContact O-CA 3.49Å; V318-A373 WeakPolarHBondContact O-CB 3.41Å; V318-V374 PolarHBondContact N-O 3.36Å; V318-V374 PolarHBondContact O-N 3.32Å
319	Q	98.6	Very high	97.8	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.5	-178.2	71.4	178.1	35.1	0	0	112.7	Y325 K326 Y328 C372 A373 M394 D404	Q319-Y325 WeakPolarHBondContact O-CA 3.28Å; Q319-K326 HydrophobicContact CG-CB 3.94Å; Q319-K326 PolarHBondContact N-O 2.89Å; Q319-K326 PolarHBondContact O-N 3.25Å; Q319-Y328 HydrophobicContact CG-CE2 4.43Å; Q319-C372 WeakPolarHBondContact CA-O 3.32Å; Q319-A373 HydrophobicContact CB-CB 3.7Å; Q319-M394 HydrophobicContact CB-CE 3.95Å; Q319-M394 HydrophobicContact CB-SD 4.09Å; Q319-M394 HydrophobicContact CG-CE 4.48Å; Q319-D404 PolarHBondContact NE2-OD2 2.83Å
320	K	98.8	Very high	97.7	Very high	24 Å²	24	36.1 Å²	36.1	10%	0.104	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.5	176.8	-179.1	177.3	-179.8	172.7	0	109.3	G322 N324 Y325 V359 D360 S363 I371 C372	K320-G322 WeakPolarHBondContact CE-O 3.35Å; K320-G322 VanDerWaalsContact CG-O 3.31Å; K320-G322 WeakPolarHBondContact CG-O 3.43Å; K320-N324 CarbonylContact C-O 3.45Å; K320-N324 WeakPolarHBondContact CA-O 3.48Å; K320-Y325 HydrophobicContact CB-CD1 4.35Å; K320-Y325 HydrophobicContact CB-CE1 4.45Å; K320-Y325 HydrophobicContact CD-CD1 4.48Å; K320-Y325 HydrophobicContact CD-CE1 3.77Å; K320-Y325 HydrophobicContact CG-CD1 4.25Å; K320-Y325 HydrophobicContact CG-CE1 3.93Å; K320-V359 HydrophobicContact CB-CG1 4.27Å; K320-V359 HydrophobicContact CB-CG2 3.59Å; K320-D360 IonicContact NZ-OD1 2.65Å; K320-D360 PolarHBondContact NZ-OD1 3.06Å; K320-S363 PolarHBondContact NZ-OG 2.89Å; K320-I371 WeakPolarHBondContact O-CA 3.45Å; K320-C372 PolarHBondContact N-O 2.99Å; K320-C372 PolarHBondContact O-N 3.16Å
321	I	98.8	Very high	97.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	97.8	174.7	-59.1	176	0	0	0	106.6	N323 N324 I371 M394 D404 L407 I408 L411	I321-N323 PolarHBondContact O-N 3.35Å; I321-N324 PolarHBondContact N-O 2.99Å; I321-N324 PolarHBondContact O-N 2.85Å; I321-I371 HydrophobicContact CG1-CG2 4.47Å; I321-M394 HydrophobicContact CD1-CE 4.04Å; I321-M394 HydrophobicContact CG1-CE 3.77Å; I321-D404 HydrophobicContact CD1-CB 3.88Å; I321-L407 HydrophobicContact CG2-CB 3.83Å; I321-I408 HydrophobicContact CD1-CD1 4.39Å; I321-I408 HydrophobicContact CD1-CG1 4.3Å; I321-I408 HydrophobicContact CG2-CG1 3.7Å; I321-L411 HydrophobicContact CG2-CD2 4.13Å
322	G	98.3	Very high	97.4	Very high	14 Å²	14	34.6 Å²	34.6	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-110.6	-166.9	0	0	0	0	0	111.1	K320 D370	K320-G322 WeakPolarHBondContact CE-O 3.35Å; K320-G322 VanDerWaalsContact CG-O 3.31Å; K320-G322 WeakPolarHBondContact CG-O 3.43Å; G322-D370 PolarHBondContact N-O 3.31Å
323	N	97.8	Very high	97.3	Very high	138 Å²	138	38.3 Å²	38.3	74%	0.738	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	7.8	179.4	-66.6	-26.2	0	0	0	114.1	I321 Y325	I321-N323 PolarHBondContact O-N 3.35Å; N323-Y325 WeakPolarHBondContact O-CD2 3.45Å; N323-Y325 WeakPolarHBondContact O-CE2 3.36Å
324	N	98.6	Very high	97	Very high	79 Å²	79	36.8 Å²	36.8	42%	0.422	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.9	179.8	-69.7	-82.9	0	0	0	111.1	K320 I321 L407	K320-N324 CarbonylContact C-O 3.45Å; K320-N324 WeakPolarHBondContact CA-O 3.48Å; I321-N324 PolarHBondContact N-O 2.99Å; I321-N324 PolarHBondContact O-N 2.85Å; N324-L407 HydrophobicContact CB-CD1 3.76Å; N324-L407 WeakPolarHBondContact ND2-CD2 3.42Å
325	Y	98.8	Very high	96.4	Very high	60 Å²	60	38.3 Å²	38.3	24%	0.235	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.1	-172.5	-53.8	-98.1	0	0	0	110.5	Q319 K320 N323 M351 K356 V359 D360	Q319-Y325 WeakPolarHBondContact O-CA 3.28Å; K320-Y325 HydrophobicContact CB-CD1 4.35Å; K320-Y325 HydrophobicContact CB-CE1 4.45Å; K320-Y325 HydrophobicContact CD-CD1 4.48Å; K320-Y325 HydrophobicContact CD-CE1 3.77Å; K320-Y325 HydrophobicContact CG-CD1 4.25Å; K320-Y325 HydrophobicContact CG-CE1 3.93Å; N323-Y325 WeakPolarHBondContact O-CD2 3.45Å; N323-Y325 WeakPolarHBondContact O-CE2 3.36Å; Y325-M351 HydrophobicContact CD1-CE 4.42Å; Y325-M351 HydrophobicContact CG-CE 4.42Å; Y325-K356 HydrophobicContact CD1-CG 4.35Å; Y325-K356 HydrophobicContact CE1-CG 4.16Å; Y325-V359 HydrophobicContact CD1-CG1 3.75Å; Y325-V359 HydrophobicContact CE1-CG1 4.05Å; Y325-D360 WeakPolarHBondContact CE1-OD1 3.11Å; Y325-D360 PolarHBondContact OH-OD1 2.7Å; Y325-D360 VanDerWaalsContact OH-OD1 3.12Å
326	K	98.7	Very high	96	Very high	17 Å²	17	40 Å²	40	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.6	172.5	-61.2	-177.5	-174.5	170	0	110.3	Q319 Y328 E403 D404	Q319-K326 HydrophobicContact CG-CB 3.94Å; Q319-K326 PolarHBondContact N-O 2.89Å; Q319-K326 PolarHBondContact O-N 3.25Å; K326-Y328 HydrophobicContact CB-CE2 3.88Å; K326-Y328 WeakPolarHBondContact CD-OH 3.42Å; K326-E403 VanDerWaalsContact CE-OE1 3.22Å; K326-E403 WeakPolarHBondContact CE-OE1 3.45Å; K326-E403 IonicContact NZ-OE1 2.89Å; K326-E403 PolarHBondContact NZ-OE1 3.48Å; K326-E403 IonicContact NZ-OE2 3.23Å; K326-E403 PolarHBondContact NZ-OE2 2.9Å; K326-D404 WeakPolarHBondContact CE-OD1 3.36Å; K326-D404 IonicContact NZ-OD1 2.77Å; K326-D404 PolarHBondContact NZ-OD1 3.18Å
327	A	98.6	Very high	95.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.4	173	0	0	0	0	0	110	R317 V318 I349 M351 Y355	R317-A327 CarbonylContact O-C 3.22Å; R317-A327 WeakPolarHBondContact O-CA 3.48Å; V318-A327 HydrophobicContact CG2-CB 4.48Å; A327-I349 HydrophobicContact CB-CD1 4.19Å; A327-I349 HydrophobicContact CB-CG1 3.59Å; A327-I349 PolarHBondContact O-N 3.41Å; A327-M351 HydrophobicContact CB-SD 3.79Å; A327-Y355 HydrophobicContact CB-CD2 3.95Å; A327-Y355 HydrophobicContact CB-CE2 4.36Å
328	Y	98.4	Very high	95.4	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.3	178.4	-65.6	-77.2	0	0	0	110.6	I316 R317 Q319 K326 E347 Q348 I397	I316-Y328 WeakPolarHBondContact CA-O 3.32Å; R317-Y328 PolarHBondContact N-O 3.01Å; R317-Y328 PolarHBondContact O-N 2.77Å; Q319-Y328 HydrophobicContact CG-CE2 4.43Å; K326-Y328 HydrophobicContact CB-CE2 3.88Å; K326-Y328 WeakPolarHBondContact CD-OH 3.42Å; Y328-E347 CarbonylContact C-O 3.59Å; Y328-E347 VanDerWaalsContact CA-O 3.28Å; Y328-E347 WeakPolarHBondContact CA-O 3.2Å; Y328-Q348 HydrophobicContact CD1-CB 3.93Å; Y328-Q348 HydrophobicContact CD1-CG 4.11Å; Y328-Q348 HydrophobicContact CE1-CB 3.66Å; Y328-Q348 HydrophobicContact CE1-CG 3.64Å; Y328-Q348 VanDerWaalsContact CE1-OE1 3.26Å; Y328-Q348 VanDerWaalsContact CZ-OE1 3.28Å; Y328-Q348 PolarHBondContact OH-OE1 3.36Å; Y328-I397 HydrophobicContact CD2-CD1 3.87Å; Y328-I397 HydrophobicContact CD2-CG1 4Å; Y328-I397 HydrophobicContact CE2-CG1 4.15Å; Y328-I397 HydrophobicContact CG-CD1 4.02Å; Y328-I397 HydrophobicContact CG-CG1 4.37Å
329	M	97.2	Very high	94.8	Very high	33 Å²	33	45.7 Å²	45.7	16%	0.163	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.1	167.7	-174.7	178.4	-61.7	0	0	109.1	Y314 D315 L346 E347 I349	Y314-M329 HydrophobicContact CD1-CE 4.08Å; Y314-M329 HydrophobicContact CD1-CG 4.17Å; Y314-M329 HydrophobicContact CD1-SD 3.54Å; Y314-M329 VanDerWaalsContact CD1-SD 3.54Å; Y314-M329 HydrophobicContact CD2-CE 3.91Å; Y314-M329 HydrophobicContact CD2-CG 3.57Å; Y314-M329 HydrophobicContact CD2-SD 3.87Å; Y314-M329 HydrophobicContact CE1-CE 3.75Å; Y314-M329 HydrophobicContact CE1-SD 3.82Å; Y314-M329 HydrophobicContact CE2-CE 3.54Å; Y314-M329 HydrophobicContact CE2-CG 4.2Å; Y314-M329 HydrophobicContact CE2-SD 4.1Å; Y314-M329 HydrophobicContact CG-CE 4.16Å; Y314-M329 HydrophobicContact CG-CG 3.54Å; Y314-M329 HydrophobicContact CG-SD 3.57Å; Y314-M329 VanDerWaalsContact CG-SD 3.57Å; Y314-M329 VanDerWaalsContact CZ-CE 3.46Å; D315-M329 WeakPolarHBondContact O-CA 3.21Å; M329-L346 WeakPolarHBondContact O-CA 3.25Å; M329-E347 PolarHBondContact N-O 2.9Å; M329-E347 PolarHBondContact O-N 3.44Å; M329-I349 HydrophobicContact CB-CD1 4.39Å; M329-I349 HydrophobicContact CB-CG2 3.79Å; M329-I349 HydrophobicContact CE-CG2 4.28Å
330	R	96.5	Very high	94.2	Very high	60 Å²	60	48.9 Å²	48.9	23%	0.226	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	172.7	-177.8	178.7	61.9	-153.3	-4.7	112	Y314 D315 T339 A344 M345 L346	Y314-R330 WeakPolarHBondContact CA-O 3.31Å; Y314-R330 WeakPolarHBondContact CB-O 3.32Å; D315-R330 HydrophobicContact CB-CB 4.26Å; D315-R330 PolarHBondContact N-O 2.76Å; D315-R330 PolarHBondContact O-N 3.26Å; D315-R330 IonicContact OD2-CZ 3.27Å; D315-R330 IonicContact OD2-NE 2.68Å; D315-R330 IonicContact OD2-NH2 2.73Å; D315-R330 PolarHBondContact OD2-NH2 2.88Å; R330-T339 WeakPolarHBondContact CD-O 3.38Å; R330-T339 PolarHBondContact NE-O 3.08Å; R330-T339 PolarHBondContact NE-OG1 3.27Å; R330-T339 PolarHBondContact NH2-OG1 3.1Å; R330-A344 HydrophobicContact CG-CB 3.77Å; R330-M345 CarbonylContact C-O 3.59Å; R330-M345 VanDerWaalsContact CA-O 3.3Å; R330-M345 WeakPolarHBondContact CA-O 3.06Å; R330-M345 WeakPolarHBondContact CG-O 3.17Å; R330-L346 HydrophobicContact CB-CD1 3.86Å; R330-L346 HydrophobicContact CG-CD1 4.37Å
331	T	95.2	Very high	93.5	Very high	47 Å²	47	50.3 Å²	50.3	29%	0.288	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	-178.4	-54.6	0	0	0	0	109.5	I333 A344 M345	T331-I333 PolarHBondContact O-N 2.77Å; T331-A344 CarbonylContact O-C 3.54Å; T331-A344 VanDerWaalsContact O-CA 3.3Å; T331-A344 WeakPolarHBondContact O-CA 3.49Å; T331-A344 WeakPolarHBondContact O-CB 3.46Å; T331-M345 PolarHBondContact N-O 2.93Å; T331-M345 PolarHBondContact O-N 2.84Å
332	S	92.6	Very high	93	Very high	32 Å²	32	53.1 Å²	53.1	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.8	175.7	-174.9	0	0	0	0	110.4	S334 N336	S332-S334 PolarHBondContact OG-OG 3.4Å; S332-N336 WeakPolarHBondContact CB-O 3.37Å; S332-N336 PolarHBondContact OG-O 2.89Å
333	I	92.9	Very high	92.6	Very high	109 Å²	109	56.2 Å²	56.2	56%	0.559	33%	0.331	S	S	*	.	S	Bend	trans	-112.1	3.1	171.9	65.4	169.2	0	0	0	112.1	T331 S343 M345	T331-I333 PolarHBondContact O-N 2.77Å; I333-S343 VanDerWaalsContact CG1-O 3.27Å; I333-S343 WeakPolarHBondContact CG1-O 3.26Å; I333-S343 PolarHBondContact N-O 2.89Å; I333-S343 VanDerWaalsContact N-O 3.08Å; I333-M345 HydrophobicContact CG2-CB 4.38Å
334	S	88.5	Confident	92.5	Very high	57 Å²	57	51.4 Å²	51.4	40%	0.399	31%	0.311	S	S	.	.	S	Bend	trans	-91.8	-6.3	175.9	64.9	0	0	0	0	113.7	S332 N336 T341 S343	S332-S334 PolarHBondContact OG-OG 3.4Å; S334-N336 PolarHBondContact O-N 2.88Å; S334-N336 VanDerWaalsContact OG-CB 3.29Å; S334-N336 WeakPolarHBondContact OG-CB 3.49Å; S334-N336 PolarHBondContact OG-N 2.83Å; S334-T341 PolarHBondContact OG-O 3.08Å; S334-S343 PolarHBondContact N-O 2.83Å
335	G	84.4	Confident	92.3	Very high	79 Å²	79	52.3 Å²	52.3	81%	0.814	31%	0.314	S	S	*	.	S	Bend	trans	72.6	-3	-168.9	0	0	0	0	0	114.2
336	N	88.6	Confident	92.2	Very high	57 Å²	57	52.6 Å²	52.6	31%	0.305	32%	0.319	S	S	.	.			trans	-76.5	132.1	177.5	-163.4	-27.5	0	0	0	110.5	S332 S334 K338	S332-N336 WeakPolarHBondContact CB-O 3.37Å; S332-N336 PolarHBondContact OG-O 2.89Å; S334-N336 PolarHBondContact O-N 2.88Å; S334-N336 VanDerWaalsContact OG-CB 3.29Å; S334-N336 WeakPolarHBondContact OG-CB 3.49Å; S334-N336 PolarHBondContact OG-N 2.83Å; N336-K338 PolarHBondContact O-N 2.71Å; N336-K338 PolarHBondContact OD1-N 3.11Å
337	W	91.7	Very high	92.1	Very high	91 Å²	91	56.6 Å²	56.6	35%	0.345	34%	0.338	S	S	.	.	S	Bend	trans	-66.2	-28.3	175.7	73	-95.6	0	0	0	112.4	V269 K283 F309 T339	V269-W337 HydrophobicContact CG1-CH2 3.73Å; V269-W337 HydrophobicContact CG1-CZ3 4.09Å; V269-W337 HydrophobicContact CG2-CE3 4.48Å; V269-W337 HydrophobicContact CG2-CH2 3.95Å; V269-W337 HydrophobicContact CG2-CZ3 3.79Å; K283-W337 HydrophobicContact CB-CZ2 3.96Å; F309-W337 HydrophobicContact CE2-CB 3.85Å; F309-W337 HydrophobicContact CE2-CD2 4.16Å; F309-W337 HydrophobicContact CE2-CE3 4.25Å; F309-W337 HydrophobicContact CE2-CG 4.02Å; F309-W337 HydrophobicContact CZ-CB 4.21Å; W337-T339 PolarHBondContact O-N 2.89Å
338	K	91.6	Very high	92	Very high	45 Å²	45	60.8 Å²	60.8	20%	0.196	36%	0.357	C	S	.	.	S	Bend	trans	-75.4	91.2	165.6	-63.1	-175.3	-175.2	180	0	107.8	G278 K281 N336 N340 T341	G278-K338 PolarHBondContact O-NZ 2.56Å; K281-K338 WeakPolarHBondContact O-CE 3.09Å; K281-K338 PolarHBondContact O-NZ 3.17Å; N336-K338 PolarHBondContact O-N 2.71Å; N336-K338 PolarHBondContact OD1-N 3.11Å; K338-N340 PolarHBondContact O-N 2.98Å; K338-T341 WeakPolarHBondContact O-CB 3.39Å; K338-T341 PolarHBondContact O-N 3.15Å
339	T	87.3	Confident	92	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.031	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.4	179.5	76.3	0	0	0	0	113.3	D315 R330 W337 A344	D315-T339 WeakPolarHBondContact OD1-CG2 3.16Å; D315-T339 PolarHBondContact OD1-OG1 2.8Å; D315-T339 PolarHBondContact OD2-OG1 3.3Å; R330-T339 WeakPolarHBondContact CD-O 3.38Å; R330-T339 PolarHBondContact NE-O 3.08Å; R330-T339 PolarHBondContact NE-OG1 3.27Å; R330-T339 PolarHBondContact NH2-OG1 3.1Å; W337-T339 PolarHBondContact O-N 2.89Å; T339-A344 WeakPolarHBondContact O-CB 3.36Å
340	N	84.6	Confident	92	Very high	70 Å²	70	64.9 Å²	64.9	37%	0.374	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.8	169.7	79.5	-94.6	0	0	0	114.5	S277 K338	S277-N340 PolarHBondContact O-ND2 3.04Å; K338-N340 PolarHBondContact O-N 2.98Å
341	T	85.1	Confident	92.1	Very high	54 Å²	54	65.1 Å²	65.1	33%	0.331	40%	0.396	S	S	.	.	S	Bend	trans	-127.1	116.2	-174.8	-56.1	0	0	0	0	110.9	S334 K338	S334-T341 PolarHBondContact OG-O 3.08Å; K338-T341 WeakPolarHBondContact O-CB 3.39Å; K338-T341 PolarHBondContact O-N 3.15Å
342	G	88.2	Confident	92.2	Very high	64 Å²	64	65 Å²	65	66%	0.66	40%	0.398	S	S	*	.	S	Bend	trans	79.1	-166.9	-169.5	0	0	0	0	0	112.3
343	S	90.4	Very high	92.5	Very high	79 Å²	79	70.3 Å²	70.3	55%	0.552	42%	0.423	S	S	*	.			trans	-68.9	132.7	-175	-53.1	0	0	0	0	112.9	I333 S334	I333-S343 VanDerWaalsContact CG1-O 3.27Å; I333-S343 WeakPolarHBondContact CG1-O 3.26Å; I333-S343 PolarHBondContact N-O 2.89Å; I333-S343 VanDerWaalsContact N-O 3.08Å; S334-S343 PolarHBondContact N-O 2.83Å
344	A	93.8	Very high	92.8	Very high	37 Å²	37	69.4 Å²	69.4	31%	0.306	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.5	173.8	0	0	0	0	0	110.4	R330 T331 T339	R330-A344 HydrophobicContact CG-CB 3.77Å; T331-A344 CarbonylContact O-C 3.54Å; T331-A344 VanDerWaalsContact O-CA 3.3Å; T331-A344 WeakPolarHBondContact O-CA 3.49Å; T331-A344 WeakPolarHBondContact O-CB 3.46Å; T339-A344 WeakPolarHBondContact O-CB 3.36Å
345	M	94.3	Very high	93.3	Very high	97 Å²	97	68.1 Å²	68.1	48%	0.478	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.9	168.6	-172.3	175.4	-65.6	0	0	108.9	R330 T331 I333 E347	R330-M345 CarbonylContact C-O 3.59Å; R330-M345 VanDerWaalsContact CA-O 3.3Å; R330-M345 WeakPolarHBondContact CA-O 3.06Å; R330-M345 WeakPolarHBondContact CG-O 3.17Å; T331-M345 PolarHBondContact N-O 2.93Å; T331-M345 PolarHBondContact O-N 2.84Å; I333-M345 HydrophobicContact CG2-CB 4.38Å; M345-E347 HydrophobicContact CG-CG 4.32Å
346	L	96.8	Very high	93.9	Very high	66 Å²	66	68.2 Å²	68.2	35%	0.346	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.7	-179.4	-178.7	74.6	0	0	0	109.3	M329 R330 I397 G398	M329-L346 WeakPolarHBondContact O-CA 3.25Å; R330-L346 HydrophobicContact CB-CD1 3.86Å; R330-L346 HydrophobicContact CG-CD1 4.37Å; L346-I397 HydrophobicContact CD1-CD1 4.14Å; L346-I397 HydrophobicContact CD2-CB 3.95Å; L346-I397 HydrophobicContact CD2-CD1 4.2Å; L346-I397 HydrophobicContact CD2-CG1 4.3Å; L346-G398 VanDerWaalsContact CD2-N 3.32Å
347	E	96.4	Very high	94.4	Very high	101 Å²	101	68.3 Å²	68.3	47%	0.472	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.1	-176.7	-60.7	-175.1	155.3	0	0	110.1	Y328 M329 M345	Y328-E347 CarbonylContact C-O 3.59Å; Y328-E347 VanDerWaalsContact CA-O 3.28Å; Y328-E347 WeakPolarHBondContact CA-O 3.2Å; M329-E347 PolarHBondContact N-O 2.9Å; M329-E347 PolarHBondContact O-N 3.44Å; M345-E347 HydrophobicContact CG-CG 4.32Å
348	Q	97.5	Very high	94.8	Very high	89 Å²	89	64 Å²	64	42%	0.416	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129	169.3	-165.9	167.8	-68.6	0	0	109.1	Y328 H400	Y328-Q348 HydrophobicContact CD1-CB 3.93Å; Y328-Q348 HydrophobicContact CD1-CG 4.11Å; Y328-Q348 HydrophobicContact CE1-CB 3.66Å; Y328-Q348 HydrophobicContact CE1-CG 3.64Å; Y328-Q348 VanDerWaalsContact CE1-OE1 3.26Å; Y328-Q348 VanDerWaalsContact CZ-OE1 3.28Å; Y328-Q348 PolarHBondContact OH-OE1 3.36Å; Q348-H400 PolarHBondContact OE1-CD2 3.37Å
349	I	97.7	Very high	95.1	Very high	37 Å²	37	61.9 Å²	61.9	19%	0.19	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	159	-178.6	65.1	174.6	0	0	0	110.8	A327 M329 Y355	A327-I349 HydrophobicContact CB-CD1 4.19Å; A327-I349 HydrophobicContact CB-CG1 3.59Å; A327-I349 PolarHBondContact O-N 3.41Å; M329-I349 HydrophobicContact CB-CD1 4.39Å; M329-I349 HydrophobicContact CB-CG2 3.79Å; M329-I349 HydrophobicContact CE-CG2 4.28Å; I349-Y355 HydrophobicContact CD1-CE2 3.74Å; I349-Y355 HydrophobicContact CG1-CE2 4.46Å
350	A	97.9	Very high	95.7	Very high	86 Å²	86	63 Å²	63	71%	0.711	36%	0.358	S	S	*	.			trans	-60.9	138.8	177.9	0	0	0	0	0	111.4
351	M	98.4	Very high	96.3	Very high	65 Å²	65	61 Å²	61	32%	0.32	35%	0.348	S	S	.	.			trans	-65.7	141.5	166.1	-78.6	-61.8	-56.2	0	0	110	V318 Y325 A327 K356	V318-M351 HydrophobicContact CG1-CE 3.84Å; V318-M351 HydrophobicContact CG1-SD 3.87Å; Y325-M351 HydrophobicContact CD1-CE 4.42Å; Y325-M351 HydrophobicContact CG-CE 4.42Å; A327-M351 HydrophobicContact CB-SD 3.79Å; M351-K356 HydrophobicContact CE-CB 3.94Å
352	S	98.2	Very high	97	Very high	46 Å²	46	58.4 Å²	58.4	32%	0.322	33%	0.332	S	S	.	.			trans	-124	160.3	172.4	66.6	0	0	0	0	109.7	R354 Y355 K356	S352-R354 PolarHBondContact O-N 2.95Å; S352-Y355 PolarHBondContact O-N 2.83Å; S352-Y355 VanDerWaalsContact O-N 3.12Å; S352-Y355 VanDerWaalsContact OG-CD2 3.29Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.42Å; S352-Y355 PolarHBondContact OG-N 3.38Å; S352-Y355 VanDerWaalsContact OG-N 3.16Å; S352-K356 WeakPolarHBondContact O-CB 3.33Å; S352-K356 PolarHBondContact O-N 2.95Å
353	D	98.5	Very high	97.5	Very high	142 Å²	142	55.9 Å²	55.9	76%	0.759	31%	0.305	S	S	*	.	H	α-helix	trans	-60.3	-32.4	175.9	-61.8	-46.5	0	0	0	112.2	K356 L357	D353-K356 PolarHBondContact O-N 2.84Å; D353-L357 VanDerWaalsContact O-CB 3.26Å; D353-L357 WeakPolarHBondContact O-CB 3.38Å; D353-L357 PolarHBondContact O-N 2.75Å
354	R	98.3	Very high	97.9	Very high	91 Å²	91	58.9 Å²	58.9	34%	0.343	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-51.6	171.8	179.4	176.6	-177.4	75.3	-7.5	111.5	E244 S352 L357 W358 D384	E244-R354 PolarHBondContact O-NH1 3.13Å; S352-R354 PolarHBondContact O-N 2.95Å; R354-L357 PolarHBondContact O-N 2.64Å; R354-W358 HydrophobicContact CG-CZ2 3.75Å; R354-W358 VanDerWaalsContact O-CG 3.27Å; R354-W358 PolarHBondContact O-N 2.99Å; R354-D384 IonicContact CZ-OD2 2.63Å; R354-D384 VanDerWaalsContact CZ-OD2 3.27Å; R354-D384 IonicContact NE-OD2 2.66Å; R354-D384 PolarHBondContact NE-OD2 3.06Å; R354-D384 IonicContact NH2-OD2 2.64Å; R354-D384 PolarHBondContact NH2-OD2 3.01Å
355	Y	98.8	Very high	98.1	Very high	30 Å²	30	57.7 Å²	57.7	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40.3	177.4	-64.9	-19	0	0	0	112	I316 V318 A327 I349 S352 W358 V359	I316-Y355 HydrophobicContact CD1-CE1 4.2Å; I316-Y355 HydrophobicContact CG2-CE1 4.25Å; V318-Y355 HydrophobicContact CG2-CD1 4.06Å; V318-Y355 HydrophobicContact CG2-CD2 4.43Å; V318-Y355 HydrophobicContact CG2-CG 3.82Å; A327-Y355 HydrophobicContact CB-CD2 3.95Å; A327-Y355 HydrophobicContact CB-CE2 4.36Å; I349-Y355 HydrophobicContact CD1-CE2 3.74Å; I349-Y355 HydrophobicContact CG1-CE2 4.46Å; S352-Y355 PolarHBondContact O-N 2.83Å; S352-Y355 VanDerWaalsContact O-N 3.12Å; S352-Y355 VanDerWaalsContact OG-CD2 3.29Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.42Å; S352-Y355 PolarHBondContact OG-N 3.38Å; S352-Y355 VanDerWaalsContact OG-N 3.16Å; Y355-W358 AromaticContact CD1-CE3 3.87Å; Y355-W358 HydrophobicContact CD1-CE3 3.87Å; Y355-W358 HydrophobicContact CD1-CH2 4.06Å; Y355-W358 AromaticContact CD1-CZ3 3.61Å; Y355-W358 HydrophobicContact CD1-CZ3 3.61Å; Y355-W358 HydrophobicContact CE1-CE3 4.48Å; Y355-W358 AromaticContact CE1-CH2 3.98Å; Y355-W358 HydrophobicContact CE1-CH2 3.98Å; Y355-W358 AromaticContact CE1-CZ3 3.77Å; Y355-W358 HydrophobicContact CE1-CZ3 3.77Å; Y355-W358 PolarHBondContact O-N 3.17Å; Y355-V359 PolarHBondContact O-N 2.89Å
356	K	98.8	Very high	98.3	Very high	80 Å²	80	54.3 Å²	54.3	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-47.6	177.5	-170.9	179.3	-175.3	-61.8	0	111.1	Y325 M351 S352 D353 W358 V359 D360	Y325-K356 HydrophobicContact CD1-CG 4.35Å; Y325-K356 HydrophobicContact CE1-CG 4.16Å; M351-K356 HydrophobicContact CE-CB 3.94Å; S352-K356 WeakPolarHBondContact O-CB 3.33Å; S352-K356 PolarHBondContact O-N 2.95Å; D353-K356 PolarHBondContact O-N 2.84Å; K356-W358 VanDerWaalsContact C-N 3.34Å; K356-W358 PolarHBondContact O-N 3.23Å; K356-V359 PolarHBondContact O-N 2.66Å; K356-D360 WeakPolarHBondContact CG-OD2 3.48Å; K356-D360 IonicContact NZ-OD2 2.7Å; K356-D360 PolarHBondContact NZ-OD2 3.32Å; K356-D360 WeakPolarHBondContact O-CB 3.22Å; K356-D360 PolarHBondContact O-N 3.26Å
357	L	98.8	Very high	98.3	Very high	60 Å²	60	55 Å²	55	31%	0.314	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-47.5	174.8	176.6	63.6	0	0	0	111.9	L241 K245 D353 R354 V359 D360 T361	L241-L357 HydrophobicContact CD1-CD1 4.38Å; K245-L357 HydrophobicContact CB-CD2 4.12Å; D353-L357 VanDerWaalsContact O-CB 3.26Å; D353-L357 WeakPolarHBondContact O-CB 3.38Å; D353-L357 PolarHBondContact O-N 2.75Å; R354-L357 PolarHBondContact O-N 2.64Å; L357-V359 PolarHBondContact O-N 2.66Å; L357-D360 PolarHBondContact O-N 2.78Å; L357-T361 PolarHBondContact O-N 2.78Å; L357-T361 PolarHBondContact O-OG1 2.84Å; L357-T361 VanDerWaalsContact O-OG1 3.13Å
358	W	98.8	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-49.8	-179.9	-63	-10	0	0	0	112.7	K245 F246 P247 V318 R354 Y355 K356 C362 V374 A376 D384 I386	K245-W358 PolarHBondContact O-NE1 2.88Å; F246-W358 AromaticContact CD2-CD1 3.96Å; F246-W358 HydrophobicContact CD2-CG 4.49Å; F246-W358 HydrophobicContact CE2-CB 4.47Å; P247-W358 HydrophobicContact CG-CH2 4.42Å; P247-W358 HydrophobicContact CG-CZ2 3.67Å; V318-W358 HydrophobicContact CG2-CE3 4.33Å; R354-W358 HydrophobicContact CG-CZ2 3.75Å; R354-W358 VanDerWaalsContact O-CG 3.27Å; R354-W358 PolarHBondContact O-N 2.99Å; Y355-W358 AromaticContact CD1-CE3 3.87Å; Y355-W358 HydrophobicContact CD1-CE3 3.87Å; Y355-W358 HydrophobicContact CD1-CH2 4.06Å; Y355-W358 AromaticContact CD1-CZ3 3.61Å; Y355-W358 HydrophobicContact CD1-CZ3 3.61Å; Y355-W358 HydrophobicContact CE1-CE3 4.48Å; Y355-W358 AromaticContact CE1-CH2 3.98Å; Y355-W358 HydrophobicContact CE1-CH2 3.98Å; Y355-W358 AromaticContact CE1-CZ3 3.77Å; Y355-W358 HydrophobicContact CE1-CZ3 3.77Å; Y355-W358 PolarHBondContact O-N 3.17Å; K356-W358 VanDerWaalsContact C-N 3.34Å; K356-W358 PolarHBondContact O-N 3.23Å; W358-C362 VanDerWaalsContact O-CB 3.27Å; W358-C362 WeakPolarHBondContact O-CB 3.32Å; W358-C362 PolarHBondContact O-N 2.91Å; W358-C362 VanDerWaalsContact O-N 3.17Å; W358-C362 PolarHBondContact O-SG 3.27Å; W358-V374 HydrophobicContact CB-CG1 4.44Å; W358-A376 HydrophobicContact CH2-CB 4.49Å; W358-A376 HydrophobicContact CZ3-CB 4.01Å; W358-D384 HydrophobicContact CH2-CB 3.73Å; W358-D384 HydrophobicContact CZ2-CB 4.22Å; W358-I386 HydrophobicContact CB-CD1 4.43Å; W358-I386 HydrophobicContact CD2-CD1 3.78Å; W358-I386 HydrophobicContact CD2-CG1 4.28Å; W358-I386 HydrophobicContact CE3-CD1 4.28Å; W358-I386 HydrophobicContact CE3-CG1 4.3Å; W358-I386 HydrophobicContact CG-CD1 3.85Å; W358-I386 HydrophobicContact CZ2-CD1 4.49Å
359	V	98.9	Very high	98.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-77.7	-28.5	-176.3	74.9	0	0	0	0	112.3	V318 K320 Y325 Y355 K356 L357 S363 V374	V318-V359 HydrophobicContact CB-CB 4.44Å; V318-V359 HydrophobicContact CG1-CB 3.98Å; V318-V359 HydrophobicContact CG1-CG1 3.82Å; K320-V359 HydrophobicContact CB-CG1 4.27Å; K320-V359 HydrophobicContact CB-CG2 3.59Å; Y325-V359 HydrophobicContact CD1-CG1 3.75Å; Y325-V359 HydrophobicContact CE1-CG1 4.05Å; Y355-V359 PolarHBondContact O-N 2.89Å; K356-V359 PolarHBondContact O-N 2.66Å; L357-V359 PolarHBondContact O-N 2.66Å; V359-S363 VanDerWaalsContact O-CB 3.25Å; V359-S363 WeakPolarHBondContact O-CB 3.04Å; V359-S363 PolarHBondContact O-N 3.34Å; V359-S363 PolarHBondContact O-OG 2.86Å; V359-V374 HydrophobicContact CB-CG2 4.24Å; V359-V374 HydrophobicContact CG2-CG2 4.34Å
360	D	98.8	Very high	98.5	Very high	29 Å²	29	47.3 Å²	47.3	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-54.9	172.4	-81.8	-28	0	0	0	111.9	K320 Y325 K356 L357 C362 S363 E364	K320-D360 IonicContact NZ-OD1 2.65Å; K320-D360 PolarHBondContact NZ-OD1 3.06Å; Y325-D360 WeakPolarHBondContact CE1-OD1 3.11Å; Y325-D360 PolarHBondContact OH-OD1 2.7Å; Y325-D360 VanDerWaalsContact OH-OD1 3.12Å; K356-D360 WeakPolarHBondContact CG-OD2 3.48Å; K356-D360 IonicContact NZ-OD2 2.7Å; K356-D360 PolarHBondContact NZ-OD2 3.32Å; K356-D360 WeakPolarHBondContact O-CB 3.22Å; K356-D360 PolarHBondContact O-N 3.26Å; L357-D360 PolarHBondContact O-N 2.78Å; D360-C362 VanDerWaalsContact C-N 3.27Å; D360-C362 PolarHBondContact O-N 2.8Å; D360-S363 WeakPolarHBondContact O-CA 3.5Å; D360-S363 WeakPolarHBondContact O-CB 3.41Å; D360-S363 PolarHBondContact O-N 2.93Å; D360-S363 PolarHBondContact O-OG 2.74Å; D360-E364 PolarHBondContact O-N 2.91Å
361	T	98.6	Very high	98.5	Very high	28 Å²	28	43.2 Å²	43.2	17%	0.172	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-33.1	-179	-45.8	0	0	0	0	111.8	I237 L241 L357 S363 E364	I237-T361 HydrophobicContact CB-CG2 4.44Å; I237-T361 HydrophobicContact CD1-CG2 4.07Å; I237-T361 HydrophobicContact CG1-CG2 3.94Å; I237-T361 HydrophobicContact CG2-CG2 3.7Å; L241-T361 HydrophobicContact CD1-CG2 4.17Å; L357-T361 PolarHBondContact O-N 2.78Å; L357-T361 PolarHBondContact O-OG1 2.84Å; L357-T361 VanDerWaalsContact O-OG1 3.13Å; T361-S363 VanDerWaalsContact C-N 3.31Å; T361-S363 PolarHBondContact O-N 2.82Å; T361-E364 PolarHBondContact O-N 3.02Å
362	C	98.8	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-28.5	170.1	-75.6	0	0	0	0	113.4	L234 W358 D360 E364 M365 V374 V389	L234-C362 VanDerWaalsContact CD2-SG 3.53Å; W358-C362 VanDerWaalsContact O-CB 3.27Å; W358-C362 WeakPolarHBondContact O-CB 3.32Å; W358-C362 PolarHBondContact O-N 2.91Å; W358-C362 VanDerWaalsContact O-N 3.17Å; W358-C362 PolarHBondContact O-SG 3.27Å; D360-C362 VanDerWaalsContact C-N 3.27Å; D360-C362 PolarHBondContact O-N 2.8Å; C362-E364 PolarHBondContact O-N 2.77Å; C362-M365 HydrophobicContact CB-CE 4.3Å; C362-M365 WeakPolarHBondContact O-CE 3.47Å; C362-M365 WeakPolarHBondContact O-CG 3.33Å; C362-V374 HydrophobicContact CB-CG2 3.62Å; C362-V374 VanDerWaalsContact SG-CG2 3.56Å; C362-V389 HydrophobicContact CB-CG2 4.14Å
363	S	98.8	Very high	98.6	Very high	11 Å²	11	38 Å²	38	8%	0.077	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.9	178.8	72	0	0	0	0	114.5	K320 V359 D360 T361 G368 L369	K320-S363 PolarHBondContact NZ-OG 2.89Å; V359-S363 VanDerWaalsContact O-CB 3.25Å; V359-S363 WeakPolarHBondContact O-CB 3.04Å; V359-S363 PolarHBondContact O-N 3.34Å; V359-S363 PolarHBondContact O-OG 2.86Å; D360-S363 WeakPolarHBondContact O-CA 3.5Å; D360-S363 WeakPolarHBondContact O-CB 3.41Å; D360-S363 PolarHBondContact O-N 2.93Å; D360-S363 PolarHBondContact O-OG 2.74Å; T361-S363 VanDerWaalsContact C-N 3.31Å; T361-S363 PolarHBondContact O-N 2.82Å; S363-G368 CarbonylContact O-C 3.56Å; S363-G368 WeakPolarHBondContact O-CA 3.42Å; S363-L369 PolarHBondContact O-N 3.07Å
364	E	98.6	Very high	98.6	Very high	142 Å²	142	31.2 Å²	31.2	66%	0.664	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.2	179.8	-67.6	174.8	176.7	0	0	113.5	D360 T361 C362	D360-E364 PolarHBondContact O-N 2.91Å; T361-E364 PolarHBondContact O-N 3.02Å; C362-E364 PolarHBondContact O-N 2.77Å
365	M	98.1	Very high	98.6	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.059	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-70.5	154.5	-177.1	72.9	178.4	67.5	0	0	113.5	F224 V230 Q233 L234 I237 C362 G367 G368 L369 V389	F224-M365 HydrophobicContact CE2-CG 4.38Å; F224-M365 HydrophobicContact CE2-SD 3.87Å; F224-M365 HydrophobicContact CZ-SD 3.97Å; V230-M365 HydrophobicContact CG1-SD 4.16Å; Q233-M365 HydrophobicContact CB-CB 4.3Å; Q233-M365 HydrophobicContact CB-CE 3.84Å; Q233-M365 HydrophobicContact CB-SD 3.98Å; Q233-M365 HydrophobicContact CG-CB 4.29Å; Q233-M365 HydrophobicContact CG-SD 4.18Å; L234-M365 HydrophobicContact CD2-CE 3.89Å; I237-M365 HydrophobicContact CD1-CE 4.32Å; C362-M365 HydrophobicContact CB-CE 4.3Å; C362-M365 WeakPolarHBondContact O-CE 3.47Å; C362-M365 WeakPolarHBondContact O-CG 3.33Å; M365-G367 VanDerWaalsContact C-N 3.27Å; M365-G367 PolarHBondContact O-N 3.23Å; M365-G368 PolarHBondContact O-N 3.1Å; M365-L369 HydrophobicContact CG-CD1 3.88Å; M365-L369 HydrophobicContact CG-CG 4.22Å; M365-L369 HydrophobicContact SD-CD1 4.39Å; M365-V389 HydrophobicContact CE-CG1 4.06Å; M365-V389 HydrophobicContact SD-CG1 4.34Å
366	F	98.4	Very high	98.6	Very high	25 Å²	25	27.2 Å²	27.2	11%	0.11	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	50.1	40.9	177.5	-49.3	-58.2	0	0	0	114.7	N223 F224 W229 V230 Q233 G368	N223-F366 HydrophobicContact CB-CB 4.35Å; N223-F366 HydrophobicContact CB-CD1 3.57Å; N223-F366 HydrophobicContact CB-CD2 3.82Å; N223-F366 HydrophobicContact CB-CE1 3.68Å; N223-F366 HydrophobicContact CB-CE2 3.92Å; N223-F366 HydrophobicContact CB-CG 3.65Å; N223-F366 HydrophobicContact CB-CZ 3.84Å; N223-F366 WeakPolarHBondContact OD1-CE1 3.4Å; F224-F366 AromaticContact CD2-CD2 3.88Å; F224-F366 HydrophobicContact CD2-CD2 3.88Å; F224-F366 AromaticContact CD2-CE2 4Å; F224-F366 HydrophobicContact CD2-CE2 4Å; F224-F366 AromaticContact CE2-CD2 3.79Å; F224-F366 HydrophobicContact CE2-CD2 3.79Å; F224-F366 AromaticContact CE2-CE2 3.92Å; F224-F366 HydrophobicContact CE2-CE2 3.92Å; W229-F366 AromaticContact CD1-CE1 3.95Å; W229-F366 AromaticContact CD1-CZ 3.73Å; W229-F366 AromaticContact NE1-CE1 3.49Å; W229-F366 AromaticContact NE1-CZ 3.78Å; V230-F366 HydrophobicContact CG2-CE2 4.22Å; Q233-F366 HydrophobicContact CG-CE1 3.84Å; Q233-F366 HydrophobicContact CG-CE2 3.97Å; Q233-F366 HydrophobicContact CG-CZ 3.41Å; Q233-F366 VanDerWaalsContact CG-CZ 3.41Å; F366-G368 VanDerWaalsContact C-N 3.31Å; F366-G368 PolarHBondContact O-N 2.88Å
367	G	96.9	Very high	98.6	Very high	81 Å²	81	24.1 Å²	24.1	84%	0.835	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	83.8	-1.2	179.2	0	0	0	0	0	115.1	M365	M365-G367 VanDerWaalsContact C-N 3.27Å; M365-G367 PolarHBondContact O-N 3.23Å
368	G	98.3	Very high	98.5	Very high	25 Å²	25	22.3 Å²	22.3	26%	0.258	14%	0.139	S	C	.	.			trans	115.2	133.9	175.1	0	0	0	0	0	113.5	S363 M365 F366	S363-G368 CarbonylContact O-C 3.56Å; S363-G368 WeakPolarHBondContact O-CA 3.42Å; M365-G368 PolarHBondContact O-N 3.1Å; F366-G368 VanDerWaalsContact C-N 3.31Å; F366-G368 PolarHBondContact O-N 2.88Å
369	L	98.8	Very high	98.5	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.042	14%	0.139	C	C	.	.			trans	-106.3	107.8	178.7	-50	-178.6	0	0	0	110.2	F224 S363 M365 I371 C372	F224-L369 HydrophobicContact CE2-CD1 3.76Å; F224-L369 HydrophobicContact CE2-CD2 3.91Å; F224-L369 HydrophobicContact CZ-CD1 3.8Å; S363-L369 PolarHBondContact O-N 3.07Å; M365-L369 HydrophobicContact CG-CD1 3.88Å; M365-L369 HydrophobicContact CG-CG 4.22Å; M365-L369 HydrophobicContact SD-CD1 4.39Å; L369-I371 VanDerWaalsContact C-N 3.28Å; L369-I371 PolarHBondContact O-N 3.21Å; L369-C372 HydrophobicContact CB-CB 3.89Å; L369-C372 HydrophobicContact CD1-CB 3.76Å
370	D	98.8	Very high	98.4	Very high	33 Å²	33	28 Å²	28	18%	0.176	16%	0.163	C	C	.	.	S	Bend	trans	-65.7	-31.8	176.4	-80	-48.6	0	0	0	112.7	I215 N216 G322 L411 K415	I215-D370 HydrophobicContact CG2-CB 4.14Å; N216-D370 PolarHBondContact OD1-N 2.99Å; G322-D370 PolarHBondContact N-O 3.31Å; D370-L411 HydrophobicContact CB-CD2 4.21Å; D370-K415 WeakPolarHBondContact OD1-CE 3.48Å; D370-K415 IonicContact OD1-NZ 2.65Å; D370-K415 PolarHBondContact OD1-NZ 3.45Å; D370-K415 WeakPolarHBondContact OD2-CE 3.39Å; D370-K415 IonicContact OD2-NZ 2.66Å; D370-K415 PolarHBondContact OD2-NZ 3.28Å
371	I	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.9	173.6	-56.9	174.6	0	0	0	107.7	I215 N216 K320 I321 L369 D391 C392 M394 I408 L411	I215-I371 HydrophobicContact CG2-CD1 3.56Å; I215-I371 HydrophobicContact CG2-CG1 3.93Å; N216-I371 PolarHBondContact ND2-O 3.36Å; N216-I371 PolarHBondContact OD1-N 2.75Å; N216-I371 PolarHBondContact OD1-O 3.42Å; K320-I371 WeakPolarHBondContact O-CA 3.45Å; I321-I371 HydrophobicContact CG1-CG2 4.47Å; L369-I371 VanDerWaalsContact C-N 3.28Å; L369-I371 PolarHBondContact O-N 3.21Å; I371-D391 CarbonylContact O-C 3.56Å; I371-D391 VanDerWaalsContact O-C 3.22Å; I371-C392 HydrophobicContact CB-CB 3.97Å; I371-C392 HydrophobicContact CD1-CB 4.26Å; I371-C392 HydrophobicContact CG2-CB 4.42Å; I371-C392 PolarHBondContact O-N 2.79Å; I371-M394 HydrophobicContact CG2-CE 3.53Å; I371-M394 HydrophobicContact CG2-CG 4.19Å; I371-M394 HydrophobicContact CG2-SD 4.08Å; I371-I408 HydrophobicContact CD1-CD1 4.11Å; I371-I408 HydrophobicContact CD1-CG1 3.84Å; I371-I408 HydrophobicContact CD1-CG2 4.14Å; I371-L411 HydrophobicContact CD1-CD2 4.36Å; I371-L411 HydrophobicContact CG1-CD2 3.82Å
372	C	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	166.1	173.3	61	0	0	0	0	112.7	Q319 K320 L369 M390 M394	Q319-C372 WeakPolarHBondContact CA-O 3.32Å; K320-C372 PolarHBondContact N-O 2.99Å; K320-C372 PolarHBondContact O-N 3.16Å; L369-C372 HydrophobicContact CB-CB 3.89Å; L369-C372 HydrophobicContact CD1-CB 3.76Å; C372-M390 CarbonylContact C-O 3.6Å; C372-M390 WeakPolarHBondContact CA-O 3.47Å; C372-M390 VanDerWaalsContact CB-O 3.24Å; C372-M390 WeakPolarHBondContact CB-O 3.42Å; C372-M394 VanDerWaalsContact C-SD 3.57Å
373	A	98.9	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	134.7	167.6	0	0	0	0	0	113.3	R317 V318 Q319 V389 M390 M394	R317-A373 HydrophobicContact CG-CB 4.05Å; V318-A373 CarbonylContact O-C 3.54Å; V318-A373 WeakPolarHBondContact O-CA 3.49Å; V318-A373 WeakPolarHBondContact O-CB 3.41Å; Q319-A373 HydrophobicContact CB-CB 3.7Å; A373-V389 CarbonylContact O-C 3.55Å; A373-V389 WeakPolarHBondContact O-CA 3.39Å; A373-V389 WeakPolarHBondContact O-CG2 3.26Å; A373-M390 HydrophobicContact CB-CE 3.81Å; A373-M390 PolarHBondContact N-O 3.01Å; A373-M390 PolarHBondContact O-N 3.2Å; A373-M394 HydrophobicContact CB-SD 3.53Å; A373-M394 VanDerWaalsContact CB-SD 3.53Å
374	V	98.9	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.8	170.8	-179.4	0	0	0	0	109.3	R317 V318 W358 V359 C362 I386 V389	R317-V374 WeakPolarHBondContact CA-O 3.34Å; V318-V374 PolarHBondContact N-O 3.36Å; V318-V374 PolarHBondContact O-N 3.32Å; W358-V374 HydrophobicContact CB-CG1 4.44Å; V359-V374 HydrophobicContact CB-CG2 4.24Å; V359-V374 HydrophobicContact CG2-CG2 4.34Å; C362-V374 HydrophobicContact CB-CG2 3.62Å; C362-V374 VanDerWaalsContact SG-CG2 3.56Å; V374-I386 HydrophobicContact CG1-CD1 4.41Å; V374-I386 HydrophobicContact CG1-CG1 4.22Å; V374-I386 HydrophobicContact CG1-CG2 3.69Å; V374-V389 HydrophobicContact CG2-CG2 4.25Å
375	K	98.6	Very high	98.2	Very high	36 Å²	36	33.1 Å²	33.1	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.8	173.3	-68.5	171.5	56.8	-172.9	0	110.3	I316 F387 E388 M390	I316-K375 WeakPolarHBondContact O-CA 3.43Å; K375-F387 HydrophobicContact CB-CE1 4.21Å; K375-F387 HydrophobicContact CB-CE2 4.16Å; K375-F387 HydrophobicContact CB-CZ 3.89Å; K375-F387 PolarHBondContact O-N 2.92Å; K375-E388 HydrophobicContact CB-CB 4.31Å; K375-E388 HydrophobicContact CD-CB 4.39Å; K375-E388 WeakPolarHBondContact CE-OE2 3.46Å; K375-E388 PolarHBondContact N-O 2.94Å; K375-E388 IonicContact NZ-OE2 2.7Å; K375-E388 PolarHBondContact NZ-OE2 2.7Å; K375-M390 HydrophobicContact CD-CE 3.8Å; K375-M390 HydrophobicContact CD-CG 4.22Å; K375-M390 HydrophobicContact CD-SD 3.73Å; K375-M390 HydrophobicContact CG-CE 4.05Å
376	A	98.6	Very high	98.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	164.7	172.8	0	0	0	0	0	110.5	I316 W358 Y385 I386	I316-A376 HydrophobicContact CB-CB 4.39Å; I316-A376 PolarHBondContact N-O 3.12Å; I316-A376 PolarHBondContact O-N 3.3Å; I316-A376 VanDerWaalsContact O-O 3.07Å; W358-A376 HydrophobicContact CH2-CB 4.49Å; W358-A376 HydrophobicContact CZ3-CB 4.01Å; A376-Y385 CarbonylContact C-O 3.57Å; A376-Y385 WeakPolarHBondContact CA-O 3.32Å; A376-Y385 WeakPolarHBondContact CB-O 3.48Å; A376-I386 HydrophobicContact CB-CG1 4.1Å
377	V	97.9	Very high	98.2	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.085	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.1	170.1	60.6	0	0	0	0	108.9	I310 D384 Y385 F387	I310-V377 HydrophobicContact CB-CG1 3.95Å; I310-V377 HydrophobicContact CG1-CG1 3.98Å; I310-V377 HydrophobicContact CG2-CG1 4.1Å; I310-V377 HydrophobicContact CG2-CG2 4.44Å; V377-D384 CarbonylContact O-C 3.58Å; V377-D384 WeakPolarHBondContact O-CA 3.41Å; V377-Y385 PolarHBondContact N-O 2.77Å; V377-Y385 PolarHBondContact O-N 3.08Å; V377-F387 HydrophobicContact CB-CD1 4.31Å; V377-F387 HydrophobicContact CB-CE1 4.11Å; V377-F387 HydrophobicContact CG1-CD1 4.17Å; V377-F387 HydrophobicContact CG1-CE1 4.45Å
378	H	98.2	Very high	98.3	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.106	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.1	176.1	-175.9	86.5	0	0	0	109.3	K313 Y314 I316 G382 K383 D384	K313-H378 PolarHBondContact N-O 2.92Å; K313-H378 PolarHBondContact NZ-NE2 2.84Å; Y314-H378 HydrophobicContact CD2-CB 3.7Å; Y314-H378 HydrophobicContact CE1-CB 4.45Å; Y314-H378 AromaticContact CE1-CD2 3.89Å; Y314-H378 HydrophobicContact CE2-CB 3.3Å; Y314-H378 AromaticContact CE2-CG 3.72Å; Y314-H378 HydrophobicContact CG-CB 4.43Å; Y314-H378 AromaticContact CZ-CD2 3.58Å; Y314-H378 AromaticContact CZ-CG 3.62Å; Y314-H378 PolarHBondContact O-N 2.83Å; I316-H378 HydrophobicContact CD1-CB 4.18Å; H378-G382 PolarHBondContact CE1-O 2.81Å; H378-G382 VanDerWaalsContact CE1-O 3.27Å; H378-K383 CarbonylContact C-O 3.6Å; H378-K383 WeakPolarHBondContact CA-O 3.48Å; H378-D384 IonicContact CE1-OD1 3.26Å; H378-D384 IonicContact CG-OD1 2.66Å; H378-D384 IonicContact ND1-OD1 2.78Å; H378-D384 PolarHBondContact ND1-OD1 2.77Å
379	G	97.7	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.8	-175.6	0	0	0	0	0	113.6	D311 K313 D381 G382 K383	D311-G379 CarbonylContact O-C 3.49Å; K313-G379 PolarHBondContact NZ-O 3.25Å; G379-D381 WeakPolarHBondContact CA-OD1 3.46Å; G379-D381 PolarHBondContact O-N 2.76Å; G379-G382 PolarHBondContact O-N 2.9Å; G379-K383 PolarHBondContact N-O 2.83Å
380	K	97	Very high	98.3	Very high	120 Å²	120	30.3 Å²	30.3	52%	0.522	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.7	170.5	-73.5	-179.4	-159.2	158.1	0	112.2	D311 S312 K313 G382	D311-K380 WeakPolarHBondContact O-CG 3.17Å; D311-K380 PolarHBondContact O-N 3.46Å; D311-K380 WeakPolarHBondContact OD1-CE 3.47Å; D311-K380 IonicContact OD1-NZ 2.78Å; D311-K380 PolarHBondContact OD1-NZ 3.4Å; D311-K380 VanDerWaalsContact OD2-CD 3.3Å; D311-K380 WeakPolarHBondContact OD2-CD 3.36Å; D311-K380 WeakPolarHBondContact OD2-CE 3.44Å; D311-K380 IonicContact OD2-NZ 2.7Å; D311-K380 PolarHBondContact OD2-NZ 2.85Å; S312-K380 WeakPolarHBondContact O-CE 3.31Å; K313-K380 HydrophobicContact CG-CB 4.48Å; K313-K380 HydrophobicContact CG-CG 3.88Å; K313-K380 PolarHBondContact NZ-O 2.81Å; K380-G382 PolarHBondContact O-N 3.25Å
381	D	97.1	Very high	98.3	Very high	84 Å²	84	29.1 Å²	29.1	45%	0.449	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.6	170.3	78.5	-30.7	0	0	0	114.7	G379 K383 Y385	G379-D381 WeakPolarHBondContact CA-OD1 3.46Å; G379-D381 PolarHBondContact O-N 2.76Å; D381-K383 PolarHBondContact OD1-N 3.44Å; D381-K383 VanDerWaalsContact OD1-N 3.08Å; D381-K383 WeakPolarHBondContact OD2-CD 3.27Å; D381-K383 WeakPolarHBondContact OD2-CG 3.42Å; D381-K383 IonicContact OD2-NZ 3.59Å; D381-K383 PolarHBondContact OD2-NZ 2.85Å; D381-Y385 PolarHBondContact OD2-OH 2.99Å
382	G	97.5	Very high	98.3	Very high	39 Å²	39	29.1 Å²	29.1	40%	0.402	15%	0.146	S	C	.	.	S	Bend	trans	92.1	8.1	177.3	0	0	0	0	0	115.1	H378 G379 K380	H378-G382 PolarHBondContact CE1-O 2.81Å; H378-G382 VanDerWaalsContact CE1-O 3.27Å; G379-G382 PolarHBondContact O-N 2.9Å; K380-G382 PolarHBondContact O-N 3.25Å
383	K	98.1	Very high	98.2	Very high	121 Å²	121	29.8 Å²	29.8	53%	0.526	15%	0.151	S	C	.	.			trans	-97.2	151.2	176.6	-58.8	-168.8	-156.9	95.4	0	112.2	H378 G379 D381 Y385	H378-K383 CarbonylContact C-O 3.6Å; H378-K383 WeakPolarHBondContact CA-O 3.48Å; G379-K383 PolarHBondContact N-O 2.83Å; D381-K383 PolarHBondContact OD1-N 3.44Å; D381-K383 VanDerWaalsContact OD1-N 3.08Å; D381-K383 WeakPolarHBondContact OD2-CD 3.27Å; D381-K383 WeakPolarHBondContact OD2-CG 3.42Å; D381-K383 IonicContact OD2-NZ 3.59Å; D381-K383 PolarHBondContact OD2-NZ 2.85Å; K383-Y385 HydrophobicContact CB-CD2 4.4Å; K383-Y385 HydrophobicContact CB-CE2 3.67Å
384	D	98.4	Very high	98.2	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.112	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.4	168.4	-41.2	-49.1	0	0	0	109.9	P247 R354 W358 V377 H378	P247-D384 WeakPolarHBondContact CB-O 3.29Å; P247-D384 HydrophobicContact CG-CB 4.08Å; R354-D384 IonicContact CZ-OD2 2.63Å; R354-D384 VanDerWaalsContact CZ-OD2 3.27Å; R354-D384 IonicContact NE-OD2 2.66Å; R354-D384 PolarHBondContact NE-OD2 3.06Å; R354-D384 IonicContact NH2-OD2 2.64Å; R354-D384 PolarHBondContact NH2-OD2 3.01Å; W358-D384 HydrophobicContact CH2-CB 3.73Å; W358-D384 HydrophobicContact CZ2-CB 4.22Å; V377-D384 CarbonylContact O-C 3.58Å; V377-D384 WeakPolarHBondContact O-CA 3.41Å; H378-D384 IonicContact CE1-OD1 3.26Å; H378-D384 IonicContact CG-OD1 2.66Å; H378-D384 IonicContact ND1-OD1 2.78Å; H378-D384 PolarHBondContact ND1-OD1 2.77Å
385	Y	98.7	Very high	98.1	Very high	51 Å²	51	33.1 Å²	33.1	20%	0.2	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	105.4	176.4	-62.9	-92.9	0	0	0	110.2	P247 I249 I310 A376 V377 D381 K383	P247-Y385 CarbonylContact O-C 3.54Å; P247-Y385 WeakPolarHBondContact O-CA 3.1Å; I249-Y385 HydrophobicContact CG1-CD1 4.21Å; I310-Y385 HydrophobicContact CD1-CD1 3.97Å; I310-Y385 HydrophobicContact CD1-CD2 3.98Å; I310-Y385 HydrophobicContact CD1-CE1 3.87Å; I310-Y385 HydrophobicContact CD1-CE2 3.89Å; I310-Y385 HydrophobicContact CD1-CG 4.01Å; I310-Y385 HydrophobicContact CG1-CD1 4.43Å; I310-Y385 HydrophobicContact CG1-CD2 3.96Å; I310-Y385 HydrophobicContact CG1-CE2 4.31Å; I310-Y385 HydrophobicContact CG1-CG 4.02Å; I310-Y385 HydrophobicContact CG2-CD2 3.84Å; I310-Y385 HydrophobicContact CG2-CE2 3.93Å; A376-Y385 CarbonylContact C-O 3.57Å; A376-Y385 WeakPolarHBondContact CA-O 3.32Å; A376-Y385 WeakPolarHBondContact CB-O 3.48Å; V377-Y385 PolarHBondContact N-O 2.77Å; V377-Y385 PolarHBondContact O-N 3.08Å; D381-Y385 PolarHBondContact OD2-OH 2.99Å; K383-Y385 HydrophobicContact CB-CD2 4.4Å; K383-Y385 HydrophobicContact CB-CE2 3.67Å
386	I	98.9	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.8	172.7	-61.5	169.1	0	0	0	108.6	F246 P247 L248 I249 W358 V374 A376	F246-I386 HydrophobicContact CD1-CD1 4.19Å; F246-I386 HydrophobicContact CD2-CD1 3.76Å; F246-I386 HydrophobicContact CE1-CD1 4.12Å; F246-I386 HydrophobicContact CE2-CD1 3.68Å; F246-I386 HydrophobicContact CG-CD1 4.02Å; F246-I386 HydrophobicContact CZ-CD1 3.87Å; F246-I386 HydrophobicContact CZ-CG2 4.36Å; P247-I386 HydrophobicContact CG-CD1 4.37Å; P247-I386 HydrophobicContact CG-CG1 4.39Å; P247-I386 PolarHBondContact O-N 2.88Å; L248-I386 HydrophobicContact CD1-CB 4.42Å; L248-I386 HydrophobicContact CD1-CG2 4.21Å; I249-I386 WeakPolarHBondContact CB-O 3.31Å; I249-I386 WeakPolarHBondContact CG2-O 3.36Å; I249-I386 PolarHBondContact N-O 3.17Å; W358-I386 HydrophobicContact CB-CD1 4.43Å; W358-I386 HydrophobicContact CD2-CD1 3.78Å; W358-I386 HydrophobicContact CD2-CG1 4.28Å; W358-I386 HydrophobicContact CE3-CD1 4.28Å; W358-I386 HydrophobicContact CE3-CG1 4.3Å; W358-I386 HydrophobicContact CG-CD1 3.85Å; W358-I386 HydrophobicContact CZ2-CD1 4.49Å; V374-I386 HydrophobicContact CG1-CD1 4.41Å; V374-I386 HydrophobicContact CG1-CG1 4.22Å; V374-I386 HydrophobicContact CG1-CG2 3.69Å; A376-I386 HydrophobicContact CB-CG1 4.1Å
387	F	98.4	Very high	97.9	Very high	29 Å²	29	33.9 Å²	33.9	13%	0.127	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-12.4	-173.9	68.9	-100.8	0	0	0	115.7	I249 K375 V377	I249-F387 HydrophobicContact CB-CB 4.49Å; I249-F387 HydrophobicContact CG2-CB 3.88Å; K375-F387 HydrophobicContact CB-CE1 4.21Å; K375-F387 HydrophobicContact CB-CE2 4.16Å; K375-F387 HydrophobicContact CB-CZ 3.89Å; K375-F387 PolarHBondContact O-N 2.92Å; V377-F387 HydrophobicContact CB-CD1 4.31Å; V377-F387 HydrophobicContact CB-CE1 4.11Å; V377-F387 HydrophobicContact CG1-CD1 4.17Å; V377-F387 HydrophobicContact CG1-CE1 4.45Å
388	E	98.3	Very high	97.7	Very high	27 Å²	27	34.3 Å²	34.3	13%	0.126	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147.9	179.5	-172.1	169.5	-145.2	0	0	109.9	K227 K375	K227-E388 IonicContact NZ-OE1 3.67Å; K227-E388 PolarHBondContact NZ-OE1 3.3Å; K375-E388 HydrophobicContact CB-CB 4.31Å; K375-E388 HydrophobicContact CD-CB 4.39Å; K375-E388 WeakPolarHBondContact CE-OE2 3.46Å; K375-E388 PolarHBondContact N-O 2.94Å; K375-E388 IonicContact NZ-OE2 2.7Å; K375-E388 PolarHBondContact NZ-OE2 2.7Å
389	V	98.6	Very high	97.5	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.3	162	62.2	0	0	0	0	108.2	F224 V230 L234 C362 M365 A373 V374	F224-V389 HydrophobicContact CE1-CG1 4.11Å; F224-V389 HydrophobicContact CZ-CG1 3.92Å; F224-V389 HydrophobicContact CZ-CG2 4.48Å; V230-V389 HydrophobicContact CG1-CG1 3.29Å; L234-V389 HydrophobicContact CD1-CG1 4.31Å; L234-V389 HydrophobicContact CD2-CB 4.26Å; L234-V389 HydrophobicContact CD2-CG1 3.88Å; L234-V389 HydrophobicContact CG-CG1 4.37Å; C362-V389 HydrophobicContact CB-CG2 4.14Å; M365-V389 HydrophobicContact CE-CG1 4.06Å; M365-V389 HydrophobicContact SD-CG1 4.34Å; A373-V389 CarbonylContact O-C 3.55Å; A373-V389 WeakPolarHBondContact O-CA 3.39Å; A373-V389 WeakPolarHBondContact O-CG2 3.26Å; V374-V389 HydrophobicContact CG2-CG2 4.25Å
390	M	98.4	Very high	97.4	Very high	26 Å²	26	45.4 Å²	45.4	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.4	177.5	-56.8	179.6	-60.6	0	0	109.4	C372 A373 K375 M394	C372-M390 CarbonylContact C-O 3.6Å; C372-M390 WeakPolarHBondContact CA-O 3.47Å; C372-M390 VanDerWaalsContact CB-O 3.24Å; C372-M390 WeakPolarHBondContact CB-O 3.42Å; A373-M390 HydrophobicContact CB-CE 3.81Å; A373-M390 PolarHBondContact N-O 3.01Å; A373-M390 PolarHBondContact O-N 3.2Å; K375-M390 HydrophobicContact CD-CE 3.8Å; K375-M390 HydrophobicContact CD-CG 4.22Å; K375-M390 HydrophobicContact CD-SD 3.73Å; K375-M390 HydrophobicContact CG-CE 4.05Å; M390-M394 HydrophobicContact CB-CB 3.98Å; M390-M394 HydrophobicContact CE-CB 3.94Å; M390-M394 HydrophobicContact SD-CB 4.41Å
391	D	98.4	Very high	97.4	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	23%	0.226	C	C	.	.			trans	-98.1	-151.2	179.6	70.4	-18.5	0	0	0	111.9	F224 I371 S393 M394	F224-D391 HydrophobicContact CB-CB 4.49Å; F224-D391 HydrophobicContact CD1-CB 3.72Å; F224-D391 HydrophobicContact CD2-CB 4.12Å; F224-D391 HydrophobicContact CE1-CB 3.87Å; F224-D391 HydrophobicContact CE2-CB 4.26Å; F224-D391 HydrophobicContact CG-CB 3.84Å; F224-D391 HydrophobicContact CZ-CB 4.14Å; I371-D391 CarbonylContact O-C 3.56Å; I371-D391 VanDerWaalsContact O-C 3.22Å; D391-S393 PolarHBondContact O-N 3.35Å; D391-S393 VanDerWaalsContact O-N 3.15Å; D391-S393 WeakPolarHBondContact OD1-CB 3.42Å; D391-S393 PolarHBondContact OD1-N 2.77Å; D391-S393 PolarHBondContact OD1-OG 2.8Å; D391-M394 WeakPolarHBondContact O-CB 3.15Å; D391-M394 WeakPolarHBondContact O-CG 3.43Å; D391-M394 PolarHBondContact O-N 2.96Å; D391-M394 VanDerWaalsContact O-N 3.13Å
392	C	98.4	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.2	175.3	62.1	0	0	0	0	114.4	I187 R188 N216 I371 M394	I187-C392 WeakPolarHBondContact O-CB 3.41Å; I187-C392 PolarHBondContact O-SG 3.01Å; R188-C392 PolarHBondContact NH1-O 2.87Å; N216-C392 HydrophobicContact CB-CB 4.13Å; N216-C392 PolarHBondContact N-SG 3.26Å; N216-C392 PolarHBondContact ND2-N 3.02Å; I371-C392 HydrophobicContact CB-CB 3.97Å; I371-C392 HydrophobicContact CD1-CB 4.26Å; I371-C392 HydrophobicContact CG2-CB 4.42Å; I371-C392 PolarHBondContact O-N 2.79Å; C392-M394 PolarHBondContact O-N 2.91Å
393	S	98	Very high	97.4	Very high	14 Å²	14	44.6 Å²	44.6	10%	0.098	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.8	172.8	71.2	0	0	0	0	114.4	R188 Q189 H190 D391	R188-S393 VanDerWaalsContact O-CA 3.31Å; R188-S393 WeakPolarHBondContact O-CA 3.39Å; Q189-S393 WeakPolarHBondContact O-CB 3.47Å; H190-S393 PolarHBondContact CE1-OG 2.92Å; H190-S393 WeakPolarHBondContact ND1-CB 3.3Å; H190-S393 PolarHBondContact ND1-OG 3.3Å; D391-S393 PolarHBondContact O-N 3.35Å; D391-S393 VanDerWaalsContact O-N 3.15Å; D391-S393 WeakPolarHBondContact OD1-CB 3.42Å; D391-S393 PolarHBondContact OD1-N 2.77Å; D391-S393 PolarHBondContact OD1-OG 2.8Å
394	M	97.6	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-59.3	133.1	178.6	70	179	-163.6	0	0	112.1	R188 Q319 I321 I371 C372 A373 M390 D391 C392	R188-M394 VanDerWaalsContact CZ-O 3.3Å; R188-M394 PolarHBondContact NH1-O 2.94Å; R188-M394 PolarHBondContact NH2-O 3.13Å; Q319-M394 HydrophobicContact CB-CE 3.95Å; Q319-M394 HydrophobicContact CB-SD 4.09Å; Q319-M394 HydrophobicContact CG-CE 4.48Å; I321-M394 HydrophobicContact CD1-CE 4.04Å; I321-M394 HydrophobicContact CG1-CE 3.77Å; I371-M394 HydrophobicContact CG2-CE 3.53Å; I371-M394 HydrophobicContact CG2-CG 4.19Å; I371-M394 HydrophobicContact CG2-SD 4.08Å; C372-M394 VanDerWaalsContact C-SD 3.57Å; A373-M394 HydrophobicContact CB-SD 3.53Å; A373-M394 VanDerWaalsContact CB-SD 3.53Å; M390-M394 HydrophobicContact CB-CB 3.98Å; M390-M394 HydrophobicContact CE-CB 3.94Å; M390-M394 HydrophobicContact SD-CB 4.41Å; D391-M394 WeakPolarHBondContact O-CB 3.15Å; D391-M394 WeakPolarHBondContact O-CG 3.43Å; D391-M394 PolarHBondContact O-N 2.96Å; D391-M394 VanDerWaalsContact O-N 3.13Å; C392-M394 PolarHBondContact O-N 2.91Å
395	P	96.7	Very high	97.4	Very high	71 Å²	71	40.1 Å²	40.1	46%	0.461	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-68.3	142.6	176.2	27.1	-34	0	0	0	110.3	R317	R317-P395 PolarHBondContact NH1-O 2.79Å; R317-P395 PolarHBondContact NH2-O 2.85Å
396	L	97.1	Very high	97.4	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.11	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-78	139.8	172.7	-55.1	-177	0	0	0	109.2	Q401 D404 R405 I408	L396-Q401 HydrophobicContact CB-CB 4.24Å; L396-Q401 HydrophobicContact CB-CG 3.96Å; L396-D404 HydrophobicContact CD1-CB 3.97Å; L396-D404 HydrophobicContact CD2-CB 3.96Å; L396-D404 HydrophobicContact CG-CB 4.43Å; L396-R405 HydrophobicContact CD1-CG 3.53Å; L396-I408 HydrophobicContact CD1-CD1 4.38Å; L396-I408 HydrophobicContact CD2-CD1 4.13Å
397	I	95.8	Very high	97.4	Very high	32 Å²	32	44.1 Å²	44.1	16%	0.164	23%	0.226	C	C	.	.			trans	-138.4	169.2	-171.1	63.8	171.1	0	0	0	112.1	Y328 L346	Y328-I397 HydrophobicContact CD2-CD1 3.87Å; Y328-I397 HydrophobicContact CD2-CG1 4Å; Y328-I397 HydrophobicContact CE2-CG1 4.15Å; Y328-I397 HydrophobicContact CG-CD1 4.02Å; Y328-I397 HydrophobicContact CG-CG1 4.37Å; L346-I397 HydrophobicContact CD1-CD1 4.14Å; L346-I397 HydrophobicContact CD2-CB 3.95Å; L346-I397 HydrophobicContact CD2-CD1 4.2Å; L346-I397 HydrophobicContact CD2-CG1 4.3Å
398	G	94.4	Very high	97.4	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	22%	0.22	C	C	.	.	S	Bend	trans	70.8	-164.4	-177.8	0	0	0	0	0	112.6	L346 Q401	L346-G398 VanDerWaalsContact CD2-N 3.32Å; G398-Q401 WeakPolarHBondContact O-CG 3.28Å; G398-Q401 PolarHBondContact O-NE2 3.11Å
399	E	94.5	Very high	97.4	Very high	187 Å²	187	41.5 Å²	41.5	87%	0.874	22%	0.215	S	C	*	.	S	Bend	trans	-83.3	-24.1	-177.9	-55.5	-171.9	146.5	0	0	112.1	Q401	E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 3.37Å; E399-Q401 VanDerWaalsContact O-N 3.15Å
400	H	95.2	Very high	97.4	Very high	69 Å²	69	46 Å²	46	32%	0.319	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	13.8	-173.7	-68	-95.1	0	0	0	115.1	Q348 V402 E403 D404	Q348-H400 PolarHBondContact OE1-CD2 3.37Å; H400-V402 PolarHBondContact O-N 3.12Å; H400-V402 VanDerWaalsContact O-N 3.17Å; H400-E403 IonicContact CE1-OE2 2.88Å; H400-E403 IonicContact CG-OE2 2.85Å; H400-E403 IonicContact ND1-OE2 3.87Å; H400-E403 PolarHBondContact ND1-OE2 2.86Å; H400-E403 VanDerWaalsContact O-CB 3.3Å; H400-E403 WeakPolarHBondContact O-CB 3.48Å; H400-E403 PolarHBondContact O-N 3.41Å; H400-D404 PolarHBondContact O-N 3.06Å
401	Q	96.6	Very high	97.4	Very high	67 Å²	67	45.9 Å²	45.9	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-28.4	-176.6	-62.3	174.3	39	0	0	114.3	L396 G398 E399 R405	L396-Q401 HydrophobicContact CB-CB 4.24Å; L396-Q401 HydrophobicContact CB-CG 3.96Å; G398-Q401 WeakPolarHBondContact O-CG 3.28Å; G398-Q401 PolarHBondContact O-NE2 3.11Å; E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 3.37Å; E399-Q401 VanDerWaalsContact O-N 3.15Å; Q401-R405 WeakPolarHBondContact O-CG 3.37Å; Q401-R405 PolarHBondContact O-N 2.91Å; Q401-R405 VanDerWaalsContact O-N 3.1Å
402	V	96.7	Very high	97.4	Very high	87 Å²	87	45.4 Å²	45.4	53%	0.527	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-41.2	175.4	179.6	0	0	0	0	110.6	H400 Q406	H400-V402 PolarHBondContact O-N 3.12Å; H400-V402 VanDerWaalsContact O-N 3.17Å; V402-Q406 WeakPolarHBondContact O-CG 3.37Å; V402-Q406 PolarHBondContact O-N 2.83Å
403	E	97.9	Very high	97.4	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-68.5	-45.8	176.6	-166.7	-157.4	123.4	0	0	110.4	K326 H400 R405 Q406 L407	K326-E403 VanDerWaalsContact CE-OE1 3.22Å; K326-E403 WeakPolarHBondContact CE-OE1 3.45Å; K326-E403 IonicContact NZ-OE1 2.89Å; K326-E403 PolarHBondContact NZ-OE1 3.48Å; K326-E403 IonicContact NZ-OE2 3.23Å; K326-E403 PolarHBondContact NZ-OE2 2.9Å; H400-E403 IonicContact CE1-OE2 2.88Å; H400-E403 IonicContact CG-OE2 2.85Å; H400-E403 IonicContact ND1-OE2 3.87Å; H400-E403 PolarHBondContact ND1-OE2 2.86Å; H400-E403 VanDerWaalsContact O-CB 3.3Å; H400-E403 WeakPolarHBondContact O-CB 3.48Å; H400-E403 PolarHBondContact O-N 3.41Å; E403-R405 VanDerWaalsContact C-N 3.29Å; E403-R405 PolarHBondContact O-N 3.33Å; E403-Q406 CarbonylContact O-C 3.54Å; E403-Q406 WeakPolarHBondContact O-CA 3.48Å; E403-Q406 WeakPolarHBondContact O-CB 3.23Å; E403-Q406 PolarHBondContact O-N 2.73Å; E403-L407 WeakPolarHBondContact O-CG 3.33Å; E403-L407 PolarHBondContact O-N 3.05Å
404	D	98.3	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-40.2	175.5	-76.6	2.2	0	0	0	112.1	Q319 I321 K326 L396 H400 Q406 L407 I408	Q319-D404 PolarHBondContact NE2-OD2 2.83Å; I321-D404 HydrophobicContact CD1-CB 3.88Å; K326-D404 WeakPolarHBondContact CE-OD1 3.36Å; K326-D404 IonicContact NZ-OD1 2.77Å; K326-D404 PolarHBondContact NZ-OD1 3.18Å; L396-D404 HydrophobicContact CD1-CB 3.97Å; L396-D404 HydrophobicContact CD2-CB 3.96Å; L396-D404 HydrophobicContact CG-CB 4.43Å; H400-D404 PolarHBondContact O-N 3.06Å; D404-Q406 VanDerWaalsContact C-N 3.35Å; D404-Q406 PolarHBondContact O-N 2.96Å; D404-L407 PolarHBondContact O-N 2.99Å; D404-I408 VanDerWaalsContact O-CG1 3.31Å; D404-I408 WeakPolarHBondContact O-CG1 3.31Å; D404-I408 PolarHBondContact O-N 3.42Å
405	R	98.1	Very high	97.5	Very high	48 Å²	48	51.3 Å²	51.3	18%	0.181	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-35.8	172.8	-75.6	-174.7	-72	-91.6	-2.2	112.8	W128 L396 Q401 E403 T409	W128-R405 HydrophobicContact CH2-CB 4.17Å; W128-R405 HydrophobicContact CH2-CG 3.8Å; W128-R405 HydrophobicContact CZ2-CG 4.1Å; W128-R405 HydrophobicContact CZ3-CB 4.15Å; W128-R405 HydrophobicContact CZ3-CG 4.22Å; L396-R405 HydrophobicContact CD1-CG 3.53Å; Q401-R405 WeakPolarHBondContact O-CG 3.37Å; Q401-R405 PolarHBondContact O-N 2.91Å; Q401-R405 VanDerWaalsContact O-N 3.1Å; E403-R405 VanDerWaalsContact C-N 3.29Å; E403-R405 PolarHBondContact O-N 3.33Å; R405-T409 WeakPolarHBondContact O-CB 3.44Å; R405-T409 PolarHBondContact O-N 2.84Å; R405-T409 PolarHBondContact O-OG1 2.98Å
406	Q	98.3	Very high	97.5	Very high	108 Å²	108	47.9 Å²	47.9	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-43.3	174.2	-70.1	169.1	-4.6	0	0	111.2	V402 E403 D404 I408 T409 E410	V402-Q406 WeakPolarHBondContact O-CG 3.37Å; V402-Q406 PolarHBondContact O-N 2.83Å; E403-Q406 CarbonylContact O-C 3.54Å; E403-Q406 WeakPolarHBondContact O-CA 3.48Å; E403-Q406 WeakPolarHBondContact O-CB 3.23Å; E403-Q406 PolarHBondContact O-N 2.73Å; D404-Q406 VanDerWaalsContact C-N 3.35Å; D404-Q406 PolarHBondContact O-N 2.96Å; Q406-I408 PolarHBondContact O-N 2.75Å; Q406-T409 WeakPolarHBondContact O-CB 3.38Å; Q406-T409 PolarHBondContact O-N 2.82Å; Q406-T409 VanDerWaalsContact O-N 3.13Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.22Å
407	L	98.7	Very high	97.5	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-42.9	175.6	-64.5	176.5	0	0	0	112.1	I321 N324 E403 D404 E410 L411	I321-L407 HydrophobicContact CG2-CB 3.83Å; N324-L407 HydrophobicContact CB-CD1 3.76Å; N324-L407 WeakPolarHBondContact ND2-CD2 3.42Å; E403-L407 WeakPolarHBondContact O-CG 3.33Å; E403-L407 PolarHBondContact O-N 3.05Å; D404-L407 PolarHBondContact O-N 2.99Å; L407-E410 PolarHBondContact O-N 3.33Å; L407-L411 VanDerWaalsContact O-CB 3.3Å; L407-L411 WeakPolarHBondContact O-CB 3.09Å; L407-L411 PolarHBondContact O-N 3.45Å
408	I	98.9	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-40.5	173.5	-66.4	170	0	0	0	111	W128 L186 I321 I371 L396 D404 Q406 E410 L411 V412	W128-I408 HydrophobicContact CH2-CB 3.85Å; W128-I408 HydrophobicContact CH2-CD1 4.01Å; W128-I408 HydrophobicContact CH2-CG2 3.57Å; W128-I408 HydrophobicContact CZ3-CB 4Å; W128-I408 HydrophobicContact CZ3-CG2 3.72Å; L186-I408 HydrophobicContact CD1-CG2 3.88Å; L186-I408 HydrophobicContact CD2-CG2 3.78Å; I321-I408 HydrophobicContact CD1-CD1 4.39Å; I321-I408 HydrophobicContact CD1-CG1 4.3Å; I321-I408 HydrophobicContact CG2-CG1 3.7Å; I371-I408 HydrophobicContact CD1-CD1 4.11Å; I371-I408 HydrophobicContact CD1-CG1 3.84Å; I371-I408 HydrophobicContact CD1-CG2 4.14Å; L396-I408 HydrophobicContact CD1-CD1 4.38Å; L396-I408 HydrophobicContact CD2-CD1 4.13Å; D404-I408 VanDerWaalsContact O-CG1 3.31Å; D404-I408 WeakPolarHBondContact O-CG1 3.31Å; D404-I408 PolarHBondContact O-N 3.42Å; Q406-I408 PolarHBondContact O-N 2.75Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.7Å; I408-L411 PolarHBondContact O-N 2.82Å; I408-V412 HydrophobicContact CG2-CG2 4.39Å; I408-V412 VanDerWaalsContact O-CG2 3.28Å; I408-V412 WeakPolarHBondContact O-CG2 3.41Å; I408-V412 PolarHBondContact O-N 3.08Å
409	T	98.8	Very high	97.5	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-44.3	176.8	-58.6	0	0	0	0	111.3	C131 F132 K135 R405 Q406 V412 I413	C131-T409 WeakPolarHBondContact CB-OG1 3.36Å; F132-T409 HydrophobicContact CD1-CG2 3.54Å; F132-T409 HydrophobicContact CD2-CG2 4.49Å; F132-T409 HydrophobicContact CE1-CG2 3.52Å; F132-T409 HydrophobicContact CE2-CG2 4.45Å; F132-T409 HydrophobicContact CG-CG2 4.05Å; F132-T409 HydrophobicContact CZ-CG2 3.98Å; K135-T409 HydrophobicContact CG-CG2 4.47Å; R405-T409 WeakPolarHBondContact O-CB 3.44Å; R405-T409 PolarHBondContact O-N 2.84Å; R405-T409 PolarHBondContact O-OG1 2.98Å; Q406-T409 WeakPolarHBondContact O-CB 3.38Å; Q406-T409 PolarHBondContact O-N 2.82Å; Q406-T409 VanDerWaalsContact O-N 3.13Å; T409-V412 PolarHBondContact O-N 3.21Å; T409-I413 HydrophobicContact CG2-CD1 3.96Å; T409-I413 WeakPolarHBondContact O-CD1 3.43Å; T409-I413 VanDerWaalsContact O-CG1 3.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.36Å; T409-I413 PolarHBondContact O-N 3Å
410	E	98.6	Very high	97.4	Very high	104 Å²	104	46 Å²	46	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-72.9	-35.3	-179.6	-68.9	180	172	0	0	112.6	K135 Q406 L407 I408 I413 S414	K135-E410 IonicContact NZ-OE1 3.77Å; K135-E410 PolarHBondContact NZ-OE1 2.84Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.22Å; L407-E410 PolarHBondContact O-N 3.33Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.7Å; E410-I413 PolarHBondContact O-N 2.65Å; E410-S414 WeakPolarHBondContact O-CB 3.41Å; E410-S414 PolarHBondContact O-N 3.37Å
411	L	98.8	Very high	96.7	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.12	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-43.8	171	-177.8	57.7	0	0	0	112	I215 I321 D370 I371 L407 I408 S414 K415	I215-L411 HydrophobicContact CD1-CG 4.14Å; I321-L411 HydrophobicContact CG2-CD2 4.13Å; D370-L411 HydrophobicContact CB-CD2 4.21Å; I371-L411 HydrophobicContact CD1-CD2 4.36Å; I371-L411 HydrophobicContact CG1-CD2 3.82Å; L407-L411 VanDerWaalsContact O-CB 3.3Å; L407-L411 WeakPolarHBondContact O-CB 3.09Å; L407-L411 PolarHBondContact O-N 3.45Å; I408-L411 PolarHBondContact O-N 2.82Å; L411-S414 WeakPolarHBondContact O-CB 3.23Å; L411-S414 PolarHBondContact O-N 3.11Å; L411-K415 WeakPolarHBondContact O-CG 3.21Å; L411-K415 PolarHBondContact O-N 3.48Å
412	V	98.8	Very high	95.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-46.7	174	171.4	0	0	0	0	111.5	L118 F132 F184 L186 I215 I408 T409 S414 K415 M416	L118-V412 HydrophobicContact CD1-CG1 3.9Å; L118-V412 HydrophobicContact CD2-CG1 3.83Å; F132-V412 HydrophobicContact CE1-CB 3.85Å; F132-V412 HydrophobicContact CE1-CG1 3.7Å; F132-V412 HydrophobicContact CZ-CB 3.76Å; F132-V412 HydrophobicContact CZ-CG1 3.72Å; F132-V412 HydrophobicContact CZ-CG2 4.1Å; F184-V412 HydrophobicContact CD1-CG1 4.36Å; F184-V412 HydrophobicContact CE1-CG1 4.4Å; L186-V412 HydrophobicContact CB-CG2 4.31Å; L186-V412 HydrophobicContact CD1-CG2 4.02Å; L186-V412 HydrophobicContact CD2-CG2 4.16Å; L186-V412 HydrophobicContact CG-CG2 4.38Å; I215-V412 HydrophobicContact CD1-CB 4.1Å; I215-V412 HydrophobicContact CD1-CG2 3.54Å; I408-V412 HydrophobicContact CG2-CG2 4.39Å; I408-V412 VanDerWaalsContact O-CG2 3.28Å; I408-V412 WeakPolarHBondContact O-CG2 3.41Å; I408-V412 PolarHBondContact O-N 3.08Å; T409-V412 PolarHBondContact O-N 3.21Å; V412-S414 VanDerWaalsContact C-N 3.29Å; V412-S414 PolarHBondContact O-N 3.13Å; V412-K415 PolarHBondContact O-N 2.97Å; V412-M416 HydrophobicContact CG1-CG 4.15Å; V412-M416 HydrophobicContact CG1-SD 3.82Å; V412-M416 WeakPolarHBondContact O-CB 3.3Å; V412-M416 VanDerWaalsContact O-CG 3.29Å; V412-M416 WeakPolarHBondContact O-CG 3.16Å; V412-M416 PolarHBondContact O-N 2.78Å
413	I	98.4	Very high	93.2	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-43.8	176.1	-69	159.8	0	0	0	110.7	F132 K135 V137 I143 T409 E410 N417	F132-I413 HydrophobicContact CD1-CD1 4.48Å; F132-I413 HydrophobicContact CD1-CG1 4.34Å; F132-I413 HydrophobicContact CE1-CG1 4.22Å; K135-I413 HydrophobicContact CB-CD1 3.66Å; K135-I413 HydrophobicContact CB-CG1 4.46Å; K135-I413 HydrophobicContact CD-CD1 3.73Å; K135-I413 HydrophobicContact CG-CD1 3.75Å; V137-I413 HydrophobicContact CG1-CG2 4.23Å; I143-I413 HydrophobicContact CD1-CG1 3.87Å; T409-I413 HydrophobicContact CG2-CD1 3.96Å; T409-I413 WeakPolarHBondContact O-CD1 3.43Å; T409-I413 VanDerWaalsContact O-CG1 3.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.36Å; T409-I413 PolarHBondContact O-N 3Å; E410-I413 PolarHBondContact O-N 2.65Å; I413-N417 WeakPolarHBondContact O-CB 3.47Å; I413-N417 VanDerWaalsContact O-CG 3.24Å; I413-N417 PolarHBondContact O-N 2.69Å; I413-N417 PolarHBondContact O-ND2 2.89Å
414	S	98.3	Very high	90.6	Very high	69 Å²	69	54.5 Å²	54.5	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-49.4	177.1	-171.1	0	0	0	0	112.2	E410 L411 V412 N417 Q418	E410-S414 WeakPolarHBondContact O-CB 3.41Å; E410-S414 PolarHBondContact O-N 3.37Å; L411-S414 WeakPolarHBondContact O-CB 3.23Å; L411-S414 PolarHBondContact O-N 3.11Å; V412-S414 VanDerWaalsContact C-N 3.29Å; V412-S414 PolarHBondContact O-N 3.13Å; S414-N417 PolarHBondContact O-N 3.24Å; S414-Q418 WeakPolarHBondContact O-CB 3.44Å; S414-Q418 PolarHBondContact O-N 3.13Å
415	K	98.1	Very high	88.1	Confident	45 Å²	45	58.8 Å²	58.8	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-36.6	179.4	-70	-74.7	175.5	126.5	0	113	F184 I215 D370 L411 V412 Q418 L419	F184-K415 HydrophobicContact CE2-CB 4Å; F184-K415 HydrophobicContact CZ-CB 3.7Å; I215-K415 HydrophobicContact CD1-CB 3.9Å; I215-K415 HydrophobicContact CD1-CG 3.85Å; I215-K415 HydrophobicContact CG1-CB 4.34Å; I215-K415 HydrophobicContact CG1-CG 4.1Å; D370-K415 WeakPolarHBondContact OD1-CE 3.48Å; D370-K415 IonicContact OD1-NZ 2.65Å; D370-K415 PolarHBondContact OD1-NZ 3.45Å; D370-K415 WeakPolarHBondContact OD2-CE 3.39Å; D370-K415 IonicContact OD2-NZ 2.66Å; D370-K415 PolarHBondContact OD2-NZ 3.28Å; L411-K415 WeakPolarHBondContact O-CG 3.21Å; L411-K415 PolarHBondContact O-N 3.48Å; V412-K415 PolarHBondContact O-N 2.97Å; K415-Q418 PolarHBondContact O-N 2.74Å; K415-L419 WeakPolarHBondContact O-CB 3.27Å; K415-L419 WeakPolarHBondContact O-CG 3.3Å; K415-L419 PolarHBondContact O-N 2.77Å
416	M	97.9	Very high	85.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-46.1	171	-74.7	-178.4	83.9	0	0	111	K116 L118 V137 F184 V412 Q418 L420	K116-M416 HydrophobicContact CB-CE 3.78Å; L118-M416 HydrophobicContact CD1-SD 4.44Å; V137-M416 HydrophobicContact CG1-CB 3.8Å; V137-M416 HydrophobicContact CG1-SD 4.27Å; V137-M416 HydrophobicContact CG2-CE 4.35Å; F184-M416 HydrophobicContact CB-CE 4.01Å; F184-M416 HydrophobicContact CB-CG 3.83Å; F184-M416 HydrophobicContact CB-SD 4.21Å; F184-M416 HydrophobicContact CD1-CG 4.07Å; F184-M416 HydrophobicContact CD2-CB 4.36Å; F184-M416 HydrophobicContact CD2-CG 3.49Å; F184-M416 VanDerWaalsContact CD2-CG 3.49Å; F184-M416 HydrophobicContact CE2-CG 4.02Å; F184-M416 HydrophobicContact CG-CG 3.53Å; F184-M416 HydrophobicContact CG-SD 4.37Å; V412-M416 HydrophobicContact CG1-CG 4.15Å; V412-M416 HydrophobicContact CG1-SD 3.82Å; V412-M416 WeakPolarHBondContact O-CB 3.3Å; V412-M416 VanDerWaalsContact O-CG 3.29Å; V412-M416 WeakPolarHBondContact O-CG 3.16Å; V412-M416 PolarHBondContact O-N 2.78Å; M416-Q418 PolarHBondContact O-N 2.67Å; M416-L420 HydrophobicContact CB-CD1 4.03Å; M416-L420 HydrophobicContact CE-CD1 3.85Å; M416-L420 HydrophobicContact CG-CD1 4.23Å; M416-L420 WeakPolarHBondContact O-CB 3.38Å; M416-L420 VanDerWaalsContact O-CG 3.29Å; M416-L420 WeakPolarHBondContact O-CG 3.38Å; M416-L420 PolarHBondContact O-N 3.33Å
417	N	97.4	Very high	82.3	Confident	56 Å²	56	63.5 Å²	63.5	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175.2	-74.6	-35.5	0	0	0	112.2	V137 L138 I413 S414 S421	V137-N417 VanDerWaalsContact CA-OD1 3.25Å; V137-N417 WeakPolarHBondContact CA-OD1 3.41Å; V137-N417 WeakPolarHBondContact CB-OD1 3.46Å; L138-N417 PolarHBondContact N-OD1 3.25Å; I413-N417 WeakPolarHBondContact O-CB 3.47Å; I413-N417 VanDerWaalsContact O-CG 3.24Å; I413-N417 PolarHBondContact O-N 2.69Å; I413-N417 PolarHBondContact O-ND2 2.89Å; S414-N417 PolarHBondContact O-N 3.24Å; N417-S421 VanDerWaalsContact O-CB 3.29Å; N417-S421 WeakPolarHBondContact O-CB 3.47Å; N417-S421 PolarHBondContact O-OG 3.25Å
418	Q	95.7	Very high	79.7	Confident	86 Å²	86	68.1 Å²	68.1	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-68.4	-45.7	-179.3	-176.6	-176.7	3.9	0	0	113.1	S414 K415 M416 R422	S414-Q418 WeakPolarHBondContact O-CB 3.44Å; S414-Q418 PolarHBondContact O-N 3.13Å; K415-Q418 PolarHBondContact O-N 2.74Å; M416-Q418 PolarHBondContact O-N 2.67Å; Q418-R422 WeakPolarHBondContact O-CD 3.05Å; Q418-R422 WeakPolarHBondContact O-CG 3.45Å
419	L	94.3	Very high	76.9	Confident	59 Å²	59	76.9 Å²	76.9	31%	0.309	43%	0.431	S	S	.	.	H	α-helix	trans	-90.8	-42.6	-169.3	-62.6	178	0	0	0	112.2	F184 P213 K415 S421 R422 T423	F184-L419 HydrophobicContact CE2-CD1 4.17Å; P213-L419 HydrophobicContact CB-CB 4.33Å; P213-L419 HydrophobicContact CB-CD1 3.87Å; K415-L419 WeakPolarHBondContact O-CB 3.27Å; K415-L419 WeakPolarHBondContact O-CG 3.3Å; K415-L419 PolarHBondContact O-N 2.77Å; L419-S421 PolarHBondContact O-N 3.09Å; L419-R422 PolarHBondContact O-N 3.14Å; L419-T423 PolarHBondContact O-N 3Å
420	L	91.8	Very high	74.1	Confident	22 Å²	22	87.5 Å²	87.5	12%	0.115	47%	0.47	C	S	.	.	H	α-helix	trans	-72.2	-17.2	-179.3	-52.9	178.8	0	0	0	113.1	K116 L138 D183 P213 M416 R422	K116-L420 HydrophobicContact CD-CD1 4.15Å; K116-L420 HydrophobicContact CG-CD1 4.27Å; L138-L420 HydrophobicContact CD1-CB 4.03Å; L138-L420 HydrophobicContact CD2-CB 4.3Å; D183-L420 HydrophobicContact CB-CD1 4.04Å; D183-L420 HydrophobicContact CB-CD2 4.28Å; D183-L420 WeakPolarHBondContact O-CD2 3.13Å; P213-L420 HydrophobicContact CG-CD2 3.95Å; M416-L420 HydrophobicContact CB-CD1 4.03Å; M416-L420 HydrophobicContact CE-CD1 3.85Å; M416-L420 HydrophobicContact CG-CD1 4.23Å; M416-L420 WeakPolarHBondContact O-CB 3.38Å; M416-L420 VanDerWaalsContact O-CG 3.29Å; M416-L420 WeakPolarHBondContact O-CG 3.38Å; M416-L420 PolarHBondContact O-N 3.33Å; L420-R422 VanDerWaalsContact C-N 3.31Å
421	S	79.9	Confident	71.3	Confident	86 Å²	86	87.8 Å²	87.8	60%	0.601	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.9	168.8	-60.5	0	0	0	0	113.6	L138 N417 L419	L138-S421 WeakPolarHBondContact CD2-OG 3.37Å; N417-S421 VanDerWaalsContact O-CB 3.29Å; N417-S421 WeakPolarHBondContact O-CB 3.47Å; N417-S421 PolarHBondContact O-OG 3.25Å; L419-S421 PolarHBondContact O-N 3.09Å
422	R	65.6	Low	68.2	Low	182 Å²	182	94.5 Å²	94.5	69%	0.687	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-22.7	-174.7	-71.2	177.2	175.6	-157.9	-3.5	113.4	Q418 L419 L420 P424	Q418-R422 WeakPolarHBondContact O-CD 3.05Å; Q418-R422 WeakPolarHBondContact O-CG 3.45Å; L419-R422 PolarHBondContact O-N 3.14Å; L420-R422 VanDerWaalsContact C-N 3.31Å; R422-P424 VanDerWaalsContact O-CD 3.26Å; R422-P424 WeakPolarHBondContact O-CD 3.29Å
423	T	55.7	Low	65.3	Low	97 Å²	97	100.4 Å²	100.4	60%	0.595	55%	0.553	S	S	*	*	S	Bend	trans	-68.5	115	173.8	-50.1	0	0	0	0	109.6	L419 A425	L419-T423 PolarHBondContact O-N 3Å; T423-A425 PolarHBondContact O-N 2.81Å
424	P	43.3	Very low	62.5	Low	107 Å²	107	105.7 Å²	105.7	70%	0.695	59%	0.586	S	S	*	*			trans	-62.2	128.8	169.8	-15.4	30.5	0	0	0	107.8	R422 L426	R422-P424 VanDerWaalsContact O-CD 3.26Å; R422-P424 WeakPolarHBondContact O-CD 3.29Å; P424-L426 PolarHBondContact O-N 3.09Å
425	A	44	Very low	59.5	Low	91 Å²	91	110.9 Å²	110.9	75%	0.752	60%	0.603	S	S	*	*			trans	-61.7	108	172	0	0	0	0	0	108.2	T423 S427	T423-A425 PolarHBondContact O-N 2.81Å; A425-S427 VanDerWaalsContact C-N 3.32Å; A425-S427 PolarHBondContact O-N 3Å
426	L	43.6	Very low	56.7	Low	155 Å²	155	117.3 Å²	117.3	81%	0.812	63%	0.634	S	S	*	*			trans	-58.8	100.1	171.7	-78.2	172.9	0	0	0	107.4	P424	P424-L426 PolarHBondContact O-N 3.09Å
427	S	31.5	Very low	53.6	Low	99 Å²	99	123.4 Å²	123.4	69%	0.692	67%	0.673	S	S	*	*			trans	-59	126.1	-177.5	-67.5	0	0	0	0	107.8	A425 Q429	A425-S427 VanDerWaalsContact C-N 3.32Å; A425-S427 PolarHBondContact O-N 3Å; S427-Q429 PolarHBondContact O-N 3.12Å
428	P	44.6	Very low	50.6	Low	125 Å²	125	129.9 Å²	129.9	81%	0.812	70%	0.702	S	S	*	*			trans	-59.6	111.8	-179.5	23.8	-32.8	0	0	0	107.8	R430	P428-R430 PolarHBondContact O-N 3.08Å
429	Q	39.1	Very low	47.6	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	72%	0.723	S	S	*	*			trans	-61.4	110.9	-179.3	-76.8	-166.5	-8.8	0	0	107.9	S427	S427-Q429 PolarHBondContact O-N 3.12Å
430	R	40.7	Very low	44.6	Very low	225 Å²	225	132.2 Å²	132.2	85%	0.849	74%	0.744	S	S	*	*			trans	-55.5	125.6	173	180	-177	-73.5	180	-4.3	107	P428 L432	P428-R430 PolarHBondContact O-N 3.08Å; R430-L432 PolarHBondContact O-N 3.38Å
431	P	39.3	Very low	41.6	Very low	110 Å²	110	138 Å²	138	71%	0.714	78%	0.781	S	S	*	*			trans	-57.1	128	-173.8	21.3	-32.8	0	0	0	110.3	T433	P431-T433 PolarHBondContact O-N 3.06Å
432	L	34	Very low	39.5	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	79%	0.793	S	S	*	*			trans	-64.2	107	179.5	-86.6	160.6	0	0	0	109.5	R430 T434	R430-L432 PolarHBondContact O-N 3.38Å; L432-T434 PolarHBondContact O-N 2.89Å
433	T	38.3	Very low	37.8	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	80%	0.804	S	S	*	*			trans	-63.9	108.2	172.7	-49.7	0	0	0	0	109.2	P431 Q435	P431-T433 PolarHBondContact O-N 3.06Å; T433-Q435 PolarHBondContact O-N 3.48Å
434	T	39.7	Very low	36.7	Very low	135 Å²	135	145.6 Å²	145.6	83%	0.828	81%	0.813	S	S	*	*			trans	-67.9	93	176.8	49.5	0	0	0	0	110.6	L432	L432-T434 PolarHBondContact O-N 2.89Å
435	Q	36.1	Very low	36.9	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	81%	0.814	S	S	*	*			trans	-76.3	127.6	166.4	-65.9	-168.3	37.8	0	0	109.6	T433	T433-Q435 PolarHBondContact O-N 3.48Å
436	Q	37.4	Very low	36.4	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	82%	0.815	S	S	*	*			trans	-72.8	138.9	170	-72.5	178.6	-49.5	0	0	110.1	Q438	Q436-Q438 PolarHBondContact O-N 3.19Å
437	P	34.8	Very low	35.9	Very low	128 Å²	128	145.6 Å²	145.6	83%	0.831	81%	0.81	S	S	*	*			trans	-75.8	114.7	169.5	30.5	-31.8	0	0	0	110
438	Q	34	Very low	35.8	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	81%	0.81	S	S	*	*			trans	-85.8	130.2	163.2	-78.8	-170	-24.8	0	0	110.1	Q436	Q436-Q438 PolarHBondContact O-N 3.19Å
439	S	32.6	Very low	35.2	Very low	121 Å²	121	149.3 Å²	149.3	85%	0.846	81%	0.813	S	S	*	*			trans	-72.7	124	171.3	51.7	0	0	0	0	110.7
440	G	30.4	Very low	34.8	Very low	73 Å²	73	147 Å²	147	75%	0.753	81%	0.812	S	S	*	*			trans	-86.2	180	179.4	0	0	0	0	0	114.9
441	T	30.2	Very low	36	Very low	144 Å²	144	141.7 Å²	141.7	88%	0.883	81%	0.806	S	S	*	*			trans	-138.1	157.8	169.3	38.4	0	0	0	0	110.7
442	L	35.4	Very low	36.5	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	81%	0.805	S	S	*	*			trans	-83.3	154.8	-163.5	-52.4	96.1	0	0	0	114.6
443	K	30.3	Very low	36.6	Very low	210 Å²	210	141.8 Å²	141.8	91%	0.913	80%	0.802	S	S	*	*				-169.6	131.1	125.6	-105.2	165.6	-173.8	-178.2	0	114.1
444	D	32.5	Very low	36.4	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	81%	0.805	S	S	*	*			trans	-82.2	174.8	157.8	-105.4	-57.2	0	0	0	109.8
445	P	46.6	Very low	36.7	Very low	108 Å²	108	145 Å²	145	70%	0.701	80%	0.799	S	S	*	*			cis	-150.5	178.1	33.7	44.6	-24.1	0	0	0	120.2
446	D	32.9	Very low	38	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	79%	0.794	S	S	*	*			trans	59.5	131.8	146.5	-104.4	-46.3	0	0	0	120.9
447	S	33.3	Very low	38.6	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	79%	0.789	S	S	*	*				179	139.9	63.8	39.8	0	0	0	0	115.9
448	S	29.1	Very low	38.9	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	79%	0.793	S	S	*	*			trans	27.1	125.7	151	67.2	0	0	0	0	123.9
449	K	32.3	Very low	38.7	Very low	203 Å²	203	136.3 Å²	136.3	88%	0.883	79%	0.788	S	S	*	*				-178	150.1	117.4	-99.9	165	-174	174.8	0	113.6
450	T	31.6	Very low	38.5	Very low	135 Å²	135	134.2 Å²	134.2	83%	0.828	79%	0.785	S	S	*	*			trans	-156.4	-175.8	-178.7	56.4	0	0	0	0	110.2
451	P	65.1	Low	39.6	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	79%	0.793	S	S	*	*				-114.7	-159.4	-65.8	35.9	-18.1	0	0	0	110.4
452	P	50.8	Low	39.5	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	79%	0.788	S	S	*	*				-158.8	146.6	88.3	39	-17.9	0	0	0	119.7
453	Q	36	Very low	39.5	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	79%	0.79	S	S	*	*			trans	55.5	155.7	133.8	-58.2	-168.7	29.6	0	0	122.7
454	R	32.5	Very low	40.8	Very low	216 Å²	216	130.2 Å²	130.2	82%	0.815	78%	0.777	S	S	*	*			cis	-177.7	177.2	-16.4	-103	-165	173.6	-146	0.2	108.7
455	P	46.6	Very low	40.8	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	78%	0.783	S	S	*	*			cis	-138.9	-138.1	-48.2	49.8	-29.4	0	0	0	112.4
456	P	63.6	Low	40.1	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	78%	0.78	S	S	*	*			trans	-127.5	-164.6	-147	39.6	-13.2	0	0	0	116
457	P	49.1	Very low	40.1	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	79%	0.788	S	S	*	*				-131.5	157	90.2	9.2	14.7	0	0	0	113.4
458	Q	42.6	Very low	40.1	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	79%	0.794	S	S	*	*				85.4	128.3	50.4	-158.7	179.4	29.9	0	0	113.3
459	G	29.4	Very low	41.5	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	80%	0.795	S	S	*	*			cis	-165.7	-169.2	1.4	0	0	0	0	0	114.3
460	G	28	Very low	42.7	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	79%	0.791	S	S	*	*			trans	-101.6	-147.2	-179.4	0	0	0	0	0	114.5
461	P	53.6	Low	42.8	Very low	140 Å²	140	129.8 Å²	129.8	91%	0.909	79%	0.786	S	S	*	*			cis	-139.8	-176.2	6.4	43.8	-25.8	0	0	0	116.6
462	G	28.6	Very low	41.3	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	80%	0.796	S	S	*	*			trans	160.8	129.3	161.1	0	0	0	0	0	118.5
463	Q	35.8	Very low	40.5	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	80%	0.802	S	S	*	*			trans	-171.5	178.5	173	-116.2	-162.4	16.6	0	0	109
464	P	57.9	Low	40.4	Very low	99 Å²	99	135.6 Å²	135.6	64%	0.643	80%	0.804	S	S	*	*			cis	-139.4	-154.9	9.9	37.5	-13.1	0	0	0	115.7
465	Q	32.1	Very low	41.3	Very low	195 Å²	195	130.8 Å²	130.8	91%	0.911	80%	0.8	S	S	*	*			trans	83.4	139.3	170.9	-55.4	-176.4	-11.9	0	0	117.9
466	G	31.8	Very low	41.3	Very low	62 Å²	62	130.8 Å²	130.8	64%	0.639	80%	0.801	S	S	*	*			cis	175.9	156	-11.3	0	0	0	0	0	116.3
467	M	33.4	Very low	39.9	Very low	192 Å²	192	137.1 Å²	137.1	95%	0.946	81%	0.81	S	S	*	*			trans	79	151.2	158.4	-76.7	59.6	173.6	0	0	122.8
468	Q	33.2	Very low	39	Very low	178 Å²	178	143.7 Å²	143.7	83%	0.832	82%	0.82	S	S	*	*			trans	-138.8	-169.8	177.3	-75.9	-172.4	-8.1	0	0	107.8
469	P	58.6	Low	38.9	Very low	110 Å²	110	142.6 Å²	142.6	71%	0.714	82%	0.82	S	S	*	*			cis	-116.3	-127.4	-28.7	28.8	-5	0	0	0	107.4
470	P	55.4	Low	39.9	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	82%	0.819	S	S	*	*			cis	-126.3	-166.7	-33.3	40.2	-22.5	0	0	0	114.1
471	G	35.1	Very low	40.9	Very low	70 Å²	70	147.2 Å²	147.2	72%	0.722	82%	0.822	S	S	*	*			trans	-129.6	-178.5	169.9	0	0	0	0	0	113.9
472	K	32.7	Very low	40	Very low	218 Å²	218	143.9 Å²	143.9	95%	0.948	81%	0.813	S	S	*	*			trans	-157.8	-176.6	175.6	-119.9	172.1	-174	178.4	0	114.8
473	V	34	Very low	40.9	Very low	136 Å²	136	145.8 Å²	145.8	82%	0.824	81%	0.811	S	S	*	*			trans	-115.1	160.4	-152.3	-176.6	0	0	0	0	114.5
474	L	34.2	Very low	40.8	Very low	158 Å²	158	142 Å²	142	83%	0.827	81%	0.807	S	S	*	*			trans	-49.8	176.1	169.7	-58.5	166.5	0	0	0	115.3
475	P	52	Low	39.9	Very low	115 Å²	115	145.6 Å²	145.6	75%	0.747	82%	0.819	S	S	*	*			cis	-126.8	-136	0.8	37.9	-15.1	0	0	0	110.5
476	P	46.1	Very low	40.5	Very low	111 Å²	111	141.9 Å²	141.9	72%	0.721	81%	0.812	S	S	*	*			cis	-137.3	169.4	-22.8	39.2	-20.6	0	0	0	117.9
477	R	33.9	Very low	41.2	Very low	244 Å²	244	145.1 Å²	145.1	92%	0.921	82%	0.822	S	S	*	*			trans	37.4	122.6	149.6	-101.6	-172.8	172.3	-159.3	-1.5	122.7
478	R	31.7	Very low	41.4	Very low	250 Å²	250	141.3 Å²	141.3	94%	0.943	81%	0.814	S	S	*	*				-166.2	155.7	123.1	-106.6	173.6	-161.7	-132.7	3.9	112.2
479	L	40.2	Very low	41.4	Very low	171 Å²	171	138.2 Å²	138.2	90%	0.895	81%	0.812	S	S	*	*			trans	-113.3	146.8	173.2	-81.2	162.2	0	0	0	110.1
480	P	48.9	Very low	40.2	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	81%	0.811	S	S	*	*			trans	-121.7	171.8	150.7	33.5	-18.7	0	0	0	112
481	P	50	Low	39.1	Very low	132 Å²	132	137.4 Å²	137.4	86%	0.857	81%	0.812	S	S	*	*			trans	-117.7	-179.8	-144.8	40.9	-30.7	0	0	0	115.8
482	G	34.9	Very low	38.9	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	82%	0.822	S	S	*	*			trans	-114.4	154.1	168.9	0	0	0	0	0	113.7
483	P	46.9	Very low	38.8	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	81%	0.814	S	S	*	*			trans	-105	125.4	163.5	34.1	-24.3	0	0	0	110.6
484	S	33.5	Very low	38.7	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	81%	0.809	S	S	*	*				86.7	116.5	61	74.5	0	0	0	0	114.4
485	L	38.5	Very low	38.6	Very low	174 Å²	174	131.1 Å²	131.1	91%	0.911	80%	0.804	S	S	*	*			trans	-77.9	154.4	176.2	-68.3	161.7	0	0	0	113.1
486	P	45.2	Very low	37.5	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	81%	0.808	S	S	*	*			trans	-107.1	165.2	152.1	18	1.6	0	0	0	112.9
487	P	47.8	Very low	36.8	Very low	131 Å²	131	135 Å²	135	85%	0.851	81%	0.812	S	S	*	*			trans	-101.8	-177.6	-162	40.3	-37.8	0	0	0	116.2
488	S	36.9	Very low	36.8	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	81%	0.809	S	S	*	*			trans	-91.3	150.4	-173.2	50.2	0	0	0	0	115.8
489	S	32.2	Very low	36.9	Very low	114 Å²	114	121.7 Å²	121.7	80%	0.797	80%	0.801	S	S	*	*			trans	-167.5	134	143.7	10.3	0	0	0	0	114.5
490	S	33.3	Very low	37.2	Very low	100 Å²	100	118.8 Å²	118.8	70%	0.699	79%	0.792	S	S	*	*			trans	26.1	115.6	147.5	59.7	0	0	0	0	123.4
491	S	32.7	Very low	36.3	Very low	115 Å²	115	121.8 Å²	121.8	80%	0.804	80%	0.796	S	S	*	*				53.7	123.6	127.5	66.9	0	0	0	0	123.2
492	S	31.1	Very low	35.6	Very low	133 Å²	133	126.8 Å²	126.8	93%	0.93	80%	0.797	S	S	*	*				-168.4	172.4	127.9	50.6	0	0	0	0	111.6
493	S	31.5	Very low	36.1	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	80%	0.803	S	S	*	*			trans	-122.9	131.5	-164.1	56.3	0	0	0	0	115.7
494	S	30.9	Very low	35.3	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	80%	0.804	S	S	*	*			trans	-170.3	136.7	153.8	48.7	0	0	0	0	108.1
495	S	32	Very low	35	Very low	101 Å²	101	126 Å²	126	71%	0.706	80%	0.804	S	S	*	*			cis	80.5	145.6	43.5	-55.9	0	0	0	0	113.9
496	F	29.8	Very low	35.7	Very low	193 Å²	193	123.2 Å²	123.2	85%	0.846	80%	0.797	S	S	*	*			trans	74.3	124	-171.7	-47.3	-72.1	0	0	0	114.2
497	S	31.9	Very low	35.1	Very low	114 Å²	114	123.5 Å²	123.5	80%	0.797	80%	0.797	S	S	*	*			cis	94	95.9	24.7	-58	0	0	0	0	115
498	S	32.3	Very low	34.4	Very low	121 Å²	121	122.3 Å²	122.3	85%	0.846	79%	0.787	S	S	*	*			trans	-168.6	113.6	149.8	53.4	0	0	0	0	113.1
499	A	33.9	Very low	34.3	Very low	94 Å²	94	125.9 Å²	125.9	78%	0.777	79%	0.791	S	S	*	*			trans	-99.5	166.5	137.7	0	0	0	0	0	107
500	P	46.8	Very low	34.2	Very low	109 Å²	109	123.5 Å²	123.5	71%	0.708	78%	0.784	S	S	*	*				-157.3	-177.7	93	42.2	-23.5	0	0	0	117.3
501	Q	31.1	Very low	34.1	Very low	183 Å²	183	126.9 Å²	126.9	86%	0.855	79%	0.794	S	S	*	*			trans	84.6	113.1	147.2	-84.5	165.7	4.1	0	0	122.5
502	R	33.9	Very low	34.1	Very low	236 Å²	236	125.8 Å²	125.8	89%	0.891	79%	0.792	S	S	*	*			trans	-82	162.4	142.2	-82	179.7	163.3	-162.8	-3.4	110.5
503	P	46.9	Very low	35	Very low	131 Å²	131	124.8 Å²	124.8	85%	0.851	78%	0.783	S	S	*	*				-126.7	169.4	113.2	36.7	-31.1	0	0	0	111.4
504	G	28.2	Very low	35.1	Very low	75 Å²	75	125 Å²	125	77%	0.773	78%	0.784	S	S	*	*			cis	-168	179.1	-3	0	0	0	0	0	110.4
505	G	28	Very low	35.3	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	78%	0.782	S	S	*	*			trans	-101.2	-151.2	172.7	0	0	0	0	0	112.5
506	P	52.6	Low	35.4	Very low	117 Å²	117	125.2 Å²	125.2	76%	0.76	79%	0.786	S	S	*	*			cis	-142.4	-156.7	4.8	33.6	-7.9	0	0	0	115
507	T	32.6	Very low	35.6	Very low	122 Å²	122	120.9 Å²	120.9	75%	0.748	78%	0.779	S	S	*	*			trans	80.9	148.5	162.9	73.1	0	0	0	0	119.7
508	T	34	Very low	35.6	Very low	105 Å²	105	120 Å²	120	64%	0.644	77%	0.774	S	S	*	*			cis	-169.7	157.8	-31.3	33.3	0	0	0	0	110.2
509	H	35	Very low	35.6	Very low	186 Å²	186	122.5 Å²	122.5	86%	0.861	78%	0.776	S	S	*	*			trans	67.7	155.9	170.6	-50.1	-70.3	0	0	0	116
510	G	29.2	Very low	35.5	Very low	64 Å²	64	122.4 Å²	122.4	66%	0.66	78%	0.776	S	S	*	*			cis	-174.9	177	-3.2	0	0	0	0	0	112.6
511	D	31.4	Very low	34.8	Very low	171 Å²	171	126.2 Å²	126.2	91%	0.914	78%	0.784	S	S	*	*			trans	60.3	119.6	165.6	-56	-22	0	0	0	121.8
512	A	33.6	Very low	34.8	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	78%	0.782	S	S	*	*			trans	-123.4	164.4	146.1	0	0	0	0	0	107.6
513	P	48.9	Very low	34.7	Very low	113 Å²	113	120 Å²	120	73%	0.734	78%	0.782	S	S	*	*			trans	-147.1	136.9	134.8	35.6	-20.3	0	0	0	115.8
514	S	34	Very low	35	Very low	117 Å²	117	118.5 Å²	118.5	82%	0.818	77%	0.773	S	S	*	*			trans	59.9	151.5	143.7	68.5	0	0	0	0	119.8
515	S	34.3	Very low	35.8	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	78%	0.776	S	S	*	*			cis	-151.7	148	26.2	56.5	0	0	0	0	114.3
516	S	34.6	Very low	36	Very low	111 Å²	111	125.6 Å²	125.6	78%	0.776	78%	0.781	S	S	*	*			trans	31.5	139.5	143.6	63.6	0	0	0	0	121
517	S	34.1	Very low	35	Very low	102 Å²	102	124.4 Å²	124.4	71%	0.713	78%	0.781	S	S	*	*			cis	-162.4	139.7	38	60.3	0	0	0	0	115.5
518	S	32.9	Very low	35	Very low	97 Å²	97	123 Å²	123	68%	0.678	78%	0.782	S	S	*	*			trans	9.9	151.9	136.9	55	0	0	0	0	120.8
519	L	31.8	Very low	35.4	Very low	172 Å²	172	123.9 Å²	123.9	90%	0.901	79%	0.789	S	S	*	*			cis	-166.7	177.1	0.6	-103	163.8	0	0	0	105.4
520	A	32.8	Very low	35.9	Very low	93 Å²	93	120.4 Å²	120.4	77%	0.769	78%	0.783	S	S	*	*			cis	-151.9	-179.9	18	0	0	0	0	0	111.5
521	E	31.5	Very low	36.1	Very low	189 Å²	189	126.9 Å²	126.9	88%	0.883	80%	0.796	S	S	*	*			trans	-127.8	141.6	-177.7	-177.4	-174.5	148.7	0	0	111.3
522	A	30.6	Very low	36.1	Very low	99 Å²	99	128.7 Å²	128.7	82%	0.818	80%	0.796	S	S	*	*			trans	-159.7	146.6	168.2	0	0	0	0	0	111.9
523	Q	32.3	Very low	36	Very low	188 Å²	188	130 Å²	130	88%	0.879	80%	0.797	S	S	*	*			trans	-135.6	-171	-176.6	-126.9	-161.5	11.3	0	0	111.7
524	P	52.7	Low	35.2	Very low	101 Å²	101	133.8 Å²	133.8	66%	0.656	81%	0.805	S	S	*	*				-111	179.4	-129.4	44.4	-34.6	0	0	0	116.1
525	P	44.3	Very low	35.2	Very low	129 Å²	129	133.6 Å²	133.6	84%	0.838	80%	0.801	S	S	*	*			trans	-119.1	176.8	157.4	36.2	-23.4	0	0	0	114.4
526	L	32.2	Very low	35.1	Very low	171 Å²	171	137.7 Å²	137.7	90%	0.895	81%	0.808	S	S	*	*			trans	-133.2	159	-166.4	-75.5	160.5	0	0	0	114.2
527	A	32.1	Very low	35	Very low	93 Å²	93	138.3 Å²	138.3	77%	0.769	81%	0.81	S	S	*	*			trans	64	118.2	157.9	0	0	0	0	0	119.1
528	A	32.9	Very low	34.8	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	82%	0.815	S	S	*	*				85.5	156.9	75.1	0	0	0	0	0	113.4
529	P	42.3	Very low	34.7	Very low	122 Å²	122	145.7 Å²	145.7	79%	0.792	83%	0.827	S	S	*	*			cis	-135.9	-136.4	21.8	43.5	-19.5	0	0	0	114.4
530	P	45.3	Very low	34.6	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	82%	0.822	S	S	*	*				-130.6	170.1	-126.3	39.3	-17.5	0	0	0	118.8
531	Q	33.4	Very low	34.6	Very low	201 Å²	201	149.3 Å²	149.3	94%	0.939	83%	0.825	S	S	*	*			trans	-135.7	166.2	158.5	-75.2	-163.4	-12.1	0	0	112.3
532	K	31.1	Very low	34.6	Very low	208 Å²	208	145.6 Å²	145.6	90%	0.904	82%	0.82	S	S	*	*			trans	-101.6	161.5	-162.5	-86.1	-176	-178.9	-179.4	0	115.1
533	P	32.8	Very low	34.5	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	83%	0.826	S	S	*	*			trans	-105.3	157.4	-165	39.8	-35.3	0	0	0	115.9
534	Q	30.3	Very low	34.3	Very low	192 Å²	192	146.2 Å²	146.2	90%	0.897	82%	0.817	S	S	*	*			trans	-166.6	157.6	161.2	-120.9	177.1	12.5	0	0	110.3
535	P	34.6	Very low	33.2	Very low	113 Å²	113	150.1 Å²	150.1	73%	0.734	83%	0.832	S	S	*	*				-121.2	163.9	-67.4	37	-25.8	0	0	0	113.5
536	H	32.9	Very low	32.7	Very low	183 Å²	183	149.2 Å²	149.2	85%	0.847	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.7	144.6	175.6	-68.9	-95	0	0	0	113.1
537	P	31.8	Very low	32.6	Very low	125 Å²	125	148.8 Å²	148.8	81%	0.812	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.2	127.9	157.2	-13.7	29.2	0	0	0	110.4
538	Q	30.8	Very low	32.6	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.4	120.9	170.7	-69.2	177.7	-27.9	0	0	110
539	L	31.1	Very low	32.3	Very low	179 Å²	179	152.9 Å²	152.9	94%	0.937	82%	0.823	S	S	*	*			trans	-94.2	110.3	162	-88.2	165.9	0	0	0	108.8
540	N	29.2	Very low	31.4	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	83%	0.825	S	S	*	*			trans	-74.7	154.8	-177.4	-99.1	-30.2	0	0	0	112.6
541	K	31.5	Very low	30.6	Very low	192 Å²	192	156.2 Å²	156.2	84%	0.835	83%	0.828	S	S	*	*			trans	-77	151.9	175.6	-64.4	179.6	177.8	179.7	0	111.8
542	S	32.5	Very low	30.4	Very low	111 Å²	111	152 Å²	152	78%	0.776	82%	0.821	S	S	*	*			trans	55.2	105.7	147.5	-56.3	0	0	0	0	119.1
543	Q	28	Very low	30.2	Very low	200 Å²	200	151.2 Å²	151.2	94%	0.935	82%	0.821	S	S	*	*			trans	-130.9	132	139.7	-72.4	-166.1	-5.2	0	0	109.5
544	S	28.5	Very low	30	Very low	100 Å²	100	150.7 Å²	150.7	70%	0.699	82%	0.82	S	S	*	*			trans	-90.5	130.3	-179.7	-61.7	0	0	0	0	111.1	T546	S544-T546 VanDerWaalsContact C-N 3.28Å; S544-T546 PolarHBondContact O-N 3.42Å; S544-T546 VanDerWaalsContact O-N 3.13Å
545	L	30.6	Very low	29.8	Very low	183 Å²	183	147 Å²	147	96%	0.958	82%	0.815	S	S	*	*			trans	-85.9	68.1	169.4	-71.3	176.7	0	0	0	111
546	T	33	Very low	29.9	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	82%	0.821	S	S	*	*			trans	-115.1	82	173.3	49.8	0	0	0	0	110.4	S544	S544-T546 VanDerWaalsContact C-N 3.28Å; S544-T546 PolarHBondContact O-N 3.42Å; S544-T546 VanDerWaalsContact O-N 3.13Å
547	N	29.9	Very low	29.9	Very low	161 Å²	161	151.9 Å²	151.9	86%	0.861	82%	0.823	S	S	*	*			trans	-177.1	90.6	156.6	-97.2	-25.3	0	0	0	110.7
548	A	31.5	Very low	29.8	Very low	88 Å²	88	157.9 Å²	157.9	73%	0.727	83%	0.83	S	S	*	*	S	Bend	trans	-153.9	17.1	174.8	0	0	0	0	0	115.7
549	F	26.9	Very low	30.2	Very low	185 Å²	185	155.5 Å²	155.5	81%	0.811	83%	0.833	S	S	*	*			trans	-149.5	90	167.8	-78.2	-59.5	0	0	0	111.7	F551	F549-F551 HydrophobicContact CD1-CD2 4.34Å; F549-F551 AromaticContact CD1-CE2 3.66Å; F549-F551 HydrophobicContact CD1-CE2 3.66Å; F549-F551 HydrophobicContact CD1-CZ 4.46Å; F549-F551 HydrophobicContact CE1-CE2 4.27Å; F549-F551 HydrophobicContact CG-CE2 4.45Å
550	S	24.3	Very low	30.7	Very low	121 Å²	121	152.1 Å²	152.1	85%	0.846	82%	0.824	S	S	*	*			trans	-97.6	92.9	167	-62.3	0	0	0	0	109.4
551	F	28.2	Very low	31.3	Very low	183 Å²	183	148.5 Å²	148.5	80%	0.803	82%	0.815	S	S	*	*			trans	-95.2	113.5	166.4	-77.8	-72.9	0	0	0	109.4	F549	F549-F551 HydrophobicContact CD1-CD2 4.34Å; F549-F551 AromaticContact CD1-CE2 3.66Å; F549-F551 HydrophobicContact CD1-CE2 3.66Å; F549-F551 HydrophobicContact CD1-CZ 4.46Å; F549-F551 HydrophobicContact CE1-CE2 4.27Å; F549-F551 HydrophobicContact CG-CE2 4.45Å
552	S	28.3	Very low	32.6	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	81%	0.808	S	S	*	*			trans	-74.5	129.4	173.4	51.6	0	0	0	0	110.9	S554	S552-S554 PolarHBondContact O-N 2.86Å
553	E	27.6	Very low	33.7	Very low	192 Å²	192	146.7 Å²	146.7	90%	0.897	80%	0.801	S	S	*	*			trans	-64.1	125.7	169.2	-67.4	-176.7	105.5	0	0	111.3
554	S	28.4	Very low	35	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	78%	0.783	S	S	*	*			trans	175.4	157.6	134.6	39.2	0	0	0	0	112.1	S552	S552-S554 PolarHBondContact O-N 2.86Å
555	S	27	Very low	36.6	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	78%	0.78	S	S	*	*			trans	85	85.6	170.8	-44.9	0	0	0	0	117
556	F	36.8	Very low	38.1	Very low	196 Å²	196	137.8 Å²	137.8	86%	0.86	76%	0.757	S	S	*	*			trans	-63	163.3	153.4	-75.1	-108.4	0	0	0	110.6
557	F	32	Very low	39.6	Very low	203 Å²	203	136.7 Å²	136.7	89%	0.89	74%	0.742	S	S	*	*			trans	77	75.5	177.3	-55.4	-80.8	0	0	0	118.5
558	R	29.9	Very low	41.4	Very low	252 Å²	252	131.1 Å²	131.1	95%	0.951	72%	0.718	S	S	*	*				177.7	115.7	126.2	-98.9	167.1	-173.7	-167.2	2.9	111.3
559	S	39.2	Very low	43.3	Very low	125 Å²	125	131.6 Å²	131.6	87%	0.874	71%	0.706	S	S	*	*			trans	-118.4	97.2	-177.2	54.6	0	0	0	0	112
560	S	42.4	Very low	45.2	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	69%	0.691	S	S	*	*	S	Bend	trans	-167	-30.1	164.2	56.3	0	0	0	0	114.4
561	A	42	Very low	47.5	Very low	73 Å²	73	125 Å²	125	60%	0.603	67%	0.671	S	S	*	*	S	Bend	trans	-77.7	-36.2	-169.5	0	0	0	0	0	115.6	E563 D564	A561-E563 PolarHBondContact O-N 3Å; A561-E563 VanDerWaalsContact O-N 3.13Å; A561-D564 PolarHBondContact O-N 3.44Å
562	N	58.1	Low	49.4	Very low	132 Å²	132	123 Å²	123	71%	0.706	66%	0.659	S	S	*	*	H	α-helix	trans	-60.8	-26.7	-171.6	-94.1	30.3	0	0	0	114.8	A566	N562-A566 WeakPolarHBondContact O-CB 3.34Å; N562-A566 PolarHBondContact O-N 2.74Å
563	E	55.3	Low	50.8	Low	132 Å²	132	121 Å²	121	62%	0.617	65%	0.645	S	S	*	*	H	α-helix	trans	-72.6	-36	-171.2	-145.2	-164	110.2	0	0	112	A561 K567	A561-E563 PolarHBondContact O-N 3Å; A561-E563 VanDerWaalsContact O-N 3.13Å; E563-K567 WeakPolarHBondContact O-CD 3.24Å; E563-K567 WeakPolarHBondContact O-CE 3.47Å; E563-K567 VanDerWaalsContact O-CG 3.24Å; E563-K567 WeakPolarHBondContact O-CG 3.45Å; E563-K567 PolarHBondContact O-N 3.31Å; E563-K567 VanDerWaalsContact O-N 3.09Å; E563-K567 WeakPolarHBondContact OE1-CE 3.45Å; E563-K567 IonicContact OE1-NZ 2.77Å; E563-K567 PolarHBondContact OE1-NZ 2.88Å
564	D	55.8	Low	52.6	Low	105 Å²	105	117.2 Å²	117.2	56%	0.561	63%	0.63	S	S	*	*	H	α-helix	trans	-80.5	-27.8	179.3	-70.2	-14.9	0	0	0	112.2	A561 K567 A568	A561-D564 PolarHBondContact O-N 3.44Å; D564-K567 PolarHBondContact O-N 3.34Å; D564-K567 IonicContact OD1-NZ 3.41Å; D564-K567 PolarHBondContact OD1-NZ 3.47Å; D564-A568 WeakPolarHBondContact O-CB 3.34Å; D564-A568 PolarHBondContact O-N 2.91Å
565	E	62	Low	54.3	Low	135 Å²	135	120.8 Å²	120.8	63%	0.631	63%	0.627	S	S	*	*	H	α-helix	trans	-67.2	-42.9	169.4	-170.6	162	-155.5	0	0	111.2	K567 A568 E569	E565-K567 VanDerWaalsContact C-N 3.34Å; E565-K567 PolarHBondContact O-N 2.94Å; E565-A568 PolarHBondContact O-N 3.41Å; E565-E569 PolarHBondContact O-N 3.5Å
566	A	61.7	Low	55.8	Low	57 Å²	57	123.4 Å²	123.4	47%	0.471	62%	0.624	S	S	.	*	H	α-helix	trans	-62.1	-37.9	173	0	0	0	0	0	112.9	N562 T570	N562-A566 WeakPolarHBondContact O-CB 3.34Å; N562-A566 PolarHBondContact O-N 2.74Å; A566-T570 WeakPolarHBondContact O-CB 3.36Å; A566-T570 PolarHBondContact O-N 3.46Å; A566-T570 PolarHBondContact O-OG1 3.08Å
567	K	63.9	Low	56.9	Low	88 Å²	88	117.3 Å²	117.3	38%	0.383	61%	0.605	S	S	.	*	H	α-helix	trans	-66.7	-42.2	172.3	-69	163	-152	160.8	0	111.6	E563 D564 E565 T570 I571	E563-K567 WeakPolarHBondContact O-CD 3.24Å; E563-K567 WeakPolarHBondContact O-CE 3.47Å; E563-K567 VanDerWaalsContact O-CG 3.24Å; E563-K567 WeakPolarHBondContact O-CG 3.45Å; E563-K567 PolarHBondContact O-N 3.31Å; E563-K567 VanDerWaalsContact O-N 3.09Å; E563-K567 WeakPolarHBondContact OE1-CE 3.45Å; E563-K567 IonicContact OE1-NZ 2.77Å; E563-K567 PolarHBondContact OE1-NZ 2.88Å; D564-K567 PolarHBondContact O-N 3.34Å; D564-K567 IonicContact OD1-NZ 3.41Å; D564-K567 PolarHBondContact OD1-NZ 3.47Å; E565-K567 VanDerWaalsContact C-N 3.34Å; E565-K567 PolarHBondContact O-N 2.94Å; K567-T570 WeakPolarHBondContact O-CB 3.28Å; K567-T570 PolarHBondContact O-N 3.41Å; K567-I571 VanDerWaalsContact O-CG1 3.28Å; K567-I571 WeakPolarHBondContact O-CG1 3.4Å; K567-I571 PolarHBondContact O-N 3.33Å
568	A	67.5	Low	58.2	Low	43 Å²	43	114 Å²	114	36%	0.355	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-43.3	177	0	0	0	0	0	111.9	D564 E565 I571 R572	D564-A568 WeakPolarHBondContact O-CB 3.34Å; D564-A568 PolarHBondContact O-N 2.91Å; E565-A568 PolarHBondContact O-N 3.41Å; A568-I571 PolarHBondContact O-N 3.31Å; A568-R572 WeakPolarHBondContact O-CB 3.49Å; A568-R572 PolarHBondContact O-N 3.46Å
569	E	71.2	Confident	59.6	Low	99 Å²	99	104.7 Å²	104.7	46%	0.463	57%	0.568	S	S	.	*	H	α-helix	trans	-64.7	-41	175.5	-157	63.8	-103.4	0	0	111.8	E565 I571 R572 S573	E565-E569 PolarHBondContact O-N 3.5Å; E569-I571 PolarHBondContact O-N 3.13Å; E569-R572 PolarHBondContact O-N 2.68Å; E569-R572 IonicContact OE1-CZ 3.77Å; E569-R572 IonicContact OE1-NH1 2.74Å; E569-R572 PolarHBondContact OE1-NH1 2.83Å; E569-R572 IonicContact OE2-CZ 3.97Å; E569-R572 IonicContact OE2-NH1 2.68Å; E569-R572 PolarHBondContact OE2-NH1 3.21Å; E569-S573 WeakPolarHBondContact O-CB 3.4Å; E569-S573 PolarHBondContact O-N 2.74Å
570	T	67.6	Low	60.2	Low	82 Å²	82	103.1 Å²	103.1	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-59.6	-45.7	174	-58.3	0	0	0	0	111.4	A566 K567 R572 S573 L574	A566-T570 WeakPolarHBondContact O-CB 3.36Å; A566-T570 PolarHBondContact O-N 3.46Å; A566-T570 PolarHBondContact O-OG1 3.08Å; K567-T570 WeakPolarHBondContact O-CB 3.28Å; K567-T570 PolarHBondContact O-N 3.41Å; T570-R572 VanDerWaalsContact C-N 3.35Å; T570-R572 PolarHBondContact O-N 2.93Å; T570-S573 PolarHBondContact O-N 3.01Å; T570-L574 HydrophobicContact CG2-CD1 4.18Å; T570-L574 WeakPolarHBondContact O-CB 3.28Å; T570-L574 WeakPolarHBondContact O-CG 3.49Å; T570-L574 PolarHBondContact O-N 3.31Å
571	I	73.5	Confident	60.7	Low	84 Å²	84	104.2 Å²	104.2	43%	0.431	55%	0.554	S	S	.	*	H	α-helix	trans	-65.4	-37.9	176.5	-68.3	165.4	0	0	0	111.3	K567 A568 E569 R575	K567-I571 VanDerWaalsContact O-CG1 3.28Å; K567-I571 WeakPolarHBondContact O-CG1 3.4Å; K567-I571 PolarHBondContact O-N 3.33Å; A568-I571 PolarHBondContact O-N 3.31Å; E569-I571 PolarHBondContact O-N 3.13Å; I571-R575 WeakPolarHBondContact O-CB 3.32Å; I571-R575 VanDerWaalsContact O-CG 3.28Å; I571-R575 WeakPolarHBondContact O-CG 3.47Å; I571-R575 PolarHBondContact O-N 3.45Å
572	R	66.3	Low	61.4	Low	142 Å²	142	108.1 Å²	108.1	54%	0.536	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-42.7	177	-163.3	-178.3	-64.4	124.8	-5.1	111.5	A568 E569 T570 R575 K576	A568-R572 WeakPolarHBondContact O-CB 3.49Å; A568-R572 PolarHBondContact O-N 3.46Å; E569-R572 PolarHBondContact O-N 2.68Å; E569-R572 IonicContact OE1-CZ 3.77Å; E569-R572 IonicContact OE1-NH1 2.74Å; E569-R572 PolarHBondContact OE1-NH1 2.83Å; E569-R572 IonicContact OE2-CZ 3.97Å; E569-R572 IonicContact OE2-NH1 2.68Å; E569-R572 PolarHBondContact OE2-NH1 3.21Å; T570-R572 VanDerWaalsContact C-N 3.35Å; T570-R572 PolarHBondContact O-N 2.93Å; R572-R575 PolarHBondContact O-N 2.95Å; R572-K576 PolarHBondContact O-N 3.5Å; R572-K576 VanDerWaalsContact O-N 3.08Å
573	S	59.6	Low	61	Low	71 Å²	71	105.8 Å²	105.8	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-61	-51.3	173.3	-173.3	0	0	0	0	111.6	E569 T570 R575 K576 S577	E569-S573 WeakPolarHBondContact O-CB 3.4Å; E569-S573 PolarHBondContact O-N 2.74Å; T570-S573 PolarHBondContact O-N 3.01Å; S573-R575 VanDerWaalsContact C-N 3.32Å; S573-R575 PolarHBondContact O-N 3.48Å; S573-K576 WeakPolarHBondContact O-CA 3.42Å; S573-K576 WeakPolarHBondContact O-CB 3.49Å; S573-K576 PolarHBondContact O-N 3.45Å; S573-S577 PolarHBondContact O-N 3.01Å; S573-S577 PolarHBondContact O-OG 3.42Å
574	L	64.4	Low	60.4	Low	113 Å²	113	111 Å²	111	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-56.5	-42.7	177	-75	168.5	0	0	0	112.5	T570 K576 S577 F578	T570-L574 HydrophobicContact CG2-CD1 4.18Å; T570-L574 WeakPolarHBondContact O-CB 3.28Å; T570-L574 WeakPolarHBondContact O-CG 3.49Å; T570-L574 PolarHBondContact O-N 3.31Å; L574-K576 VanDerWaalsContact C-N 3.35Å; L574-K576 PolarHBondContact O-N 3.35Å; L574-S577 PolarHBondContact O-N 2.91Å; L574-F578 WeakPolarHBondContact O-CB 3.38Å; L574-F578 PolarHBondContact O-N 3.13Å
575	R	64.2	Low	60.6	Low	184 Å²	184	111.3 Å²	111.3	69%	0.694	58%	0.584	S	S	*	*	H	α-helix	trans	-62.5	-39.1	174.7	-74	172.8	-177.5	-172.1	2.1	112.4	I571 R572 S573 F578 A579	I571-R575 WeakPolarHBondContact O-CB 3.32Å; I571-R575 VanDerWaalsContact O-CG 3.28Å; I571-R575 WeakPolarHBondContact O-CG 3.47Å; I571-R575 PolarHBondContact O-N 3.45Å; R572-R575 PolarHBondContact O-N 2.95Å; S573-R575 VanDerWaalsContact C-N 3.32Å; S573-R575 PolarHBondContact O-N 3.48Å; R575-F578 PolarHBondContact O-N 2.79Å; R575-A579 PolarHBondContact O-N 3.11Å
576	K	58.8	Low	60.5	Low	168 Å²	168	110 Å²	110	73%	0.73	58%	0.582	S	S	*	*	H	α-helix	trans	-67.2	-43	177.3	-165.9	174.9	-177.5	178.9	0	111.8	R572 S573 L574 F578 A579 S580	R572-K576 PolarHBondContact O-N 3.5Å; R572-K576 VanDerWaalsContact O-N 3.08Å; S573-K576 WeakPolarHBondContact O-CA 3.42Å; S573-K576 WeakPolarHBondContact O-CB 3.49Å; S573-K576 PolarHBondContact O-N 3.45Å; L574-K576 VanDerWaalsContact C-N 3.35Å; L574-K576 PolarHBondContact O-N 3.35Å; K576-F578 VanDerWaalsContact C-N 3.33Å; K576-F578 PolarHBondContact O-N 3.33Å; K576-A579 PolarHBondContact O-N 3.11Å; K576-S580 PolarHBondContact O-N 3.47Å; K576-S580 VanDerWaalsContact O-N 3.11Å
577	S	59.2	Low	60.5	Low	68 Å²	68	112.9 Å²	112.9	48%	0.476	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-38.4	171.9	-60.4	0	0	0	0	112.5	S573 L574 S580 L581	S573-S577 PolarHBondContact O-N 3.01Å; S573-S577 PolarHBondContact O-OG 3.42Å; L574-S577 PolarHBondContact O-N 2.91Å; S577-S580 PolarHBondContact O-N 3.34Å; S577-L581 PolarHBondContact O-N 3.3Å
578	F	60.8	Low	60.3	Low	133 Å²	133	114.4 Å²	114.4	58%	0.583	60%	0.6	S	S	*	*	H	α-helix	trans	-69.2	-39.5	178.2	-150.8	-100.2	0	0	0	112.2	L574 R575 K576 S580 L581 F582	L574-F578 WeakPolarHBondContact O-CB 3.38Å; L574-F578 PolarHBondContact O-N 3.13Å; R575-F578 PolarHBondContact O-N 2.79Å; K576-F578 VanDerWaalsContact C-N 3.33Å; K576-F578 PolarHBondContact O-N 3.33Å; F578-S580 VanDerWaalsContact C-N 3.31Å; F578-S580 PolarHBondContact O-N 3.21Å; F578-L581 WeakPolarHBondContact O-CB 3.35Å; F578-L581 PolarHBondContact O-N 3.15Å; F578-L581 VanDerWaalsContact O-N 3.15Å; F578-F582 HydrophobicContact CD1-CD2 4.33Å; F578-F582 AromaticContact CD1-CE2 3.93Å; F578-F582 HydrophobicContact CD1-CE2 3.93Å; F578-F582 HydrophobicContact CE1-CD2 4.34Å; F578-F582 AromaticContact CE1-CE2 3.56Å; F578-F582 HydrophobicContact CE1-CE2 3.56Å; F578-F582 HydrophobicContact CE1-CZ 4.41Å; F578-F582 AromaticContact CZ-CE2 3.92Å; F578-F582 HydrophobicContact CZ-CE2 3.92Å; F578-F582 HydrophobicContact CZ-CZ 4.49Å; F578-F582 WeakPolarHBondContact O-CD2 3.49Å
579	A	57.4	Low	59.8	Low	57 Å²	57	118.9 Å²	118.9	47%	0.471	62%	0.616	S	S	.	*	H	α-helix	trans	-61.8	-39	172.3	0	0	0	0	0	112	R575 K576 L581 F582 S583	R575-A579 PolarHBondContact O-N 3.11Å; K576-A579 PolarHBondContact O-N 3.11Å; A579-L581 PolarHBondContact O-N 3.22Å; A579-F582 PolarHBondContact O-N 2.77Å; A579-S583 PolarHBondContact O-OG 3.45Å
580	S	52.6	Low	59.1	Low	93 Å²	93	120.2 Å²	120.2	65%	0.65	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-14.1	175.4	-166.9	0	0	0	0	114.4	K576 S577 F578	K576-S580 PolarHBondContact O-N 3.47Å; K576-S580 VanDerWaalsContact O-N 3.11Å; S577-S580 PolarHBondContact O-N 3.34Å; F578-S580 VanDerWaalsContact C-N 3.31Å; F578-S580 PolarHBondContact O-N 3.21Å
581	L	53	Low	58.5	Low	129 Å²	129	122.9 Å²	122.9	68%	0.675	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-2.8	176.7	-82.6	161.6	0	0	0	113.8	S577 F578 A579	S577-L581 PolarHBondContact O-N 3.3Å; F578-L581 WeakPolarHBondContact O-CB 3.35Å; F578-L581 PolarHBondContact O-N 3.15Å; F578-L581 VanDerWaalsContact O-N 3.15Å; A579-L581 PolarHBondContact O-N 3.22Å
582	F	56.3	Low	57.3	Low	155 Å²	155	125.9 Å²	125.9	68%	0.68	65%	0.65	S	S	*	*	S	Bend	trans	-131.1	24.9	176.6	-62	-79.7	0	0	0	112.1	F578 A579	F578-F582 HydrophobicContact CD1-CD2 4.33Å; F578-F582 AromaticContact CD1-CE2 3.93Å; F578-F582 HydrophobicContact CD1-CE2 3.93Å; F578-F582 HydrophobicContact CE1-CD2 4.34Å; F578-F582 AromaticContact CE1-CE2 3.56Å; F578-F582 HydrophobicContact CE1-CE2 3.56Å; F578-F582 HydrophobicContact CE1-CZ 4.41Å; F578-F582 AromaticContact CZ-CE2 3.92Å; F578-F582 HydrophobicContact CZ-CE2 3.92Å; F578-F582 HydrophobicContact CZ-CZ 4.49Å; F578-F582 WeakPolarHBondContact O-CD2 3.49Å; A579-F582 PolarHBondContact O-N 2.77Å
583	S	50	Low	56.6	Low	83 Å²	83	124.6 Å²	124.6	58%	0.58	66%	0.66	S	S	*	*			trans	-119.6	49	-178.2	-57.9	0	0	0	0	112.3	A579	A579-S583 PolarHBondContact O-OG 3.45Å
584	D	42.4	Very low	56.3	Low	241 Å²	241	129.5 Å²	129.5	100%	1.289	68%	0.675	S	S	*	*			trans	-159.7	0	156.9	-96.1	-28.7	0	0	0	108.2

Retrieved 584 of 584 residues in 341.9 ms (Link to these results)

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