A0A087YDM3_POEFO Loading...

Synapsin-1

Neuronal phosphoprotein that coats synaptic vesicles, and binds to the cytoskeleton. Acts as a regulator of synaptic vesicles trafficking, involved in the control of neurotransmitter release at the pre-synaptic terminal. Also involved in the regulation of axon outgrowth and synaptogenesis. The complex formed with NOS1 and CAPON proteins is necessary for specific nitric-oxid functions at a presynaptic level.

AlphaFold DB , UniProt , Accession A0A087YDM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 467 aa.

Structure Viewer

Loading PAE data...

(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	34.9	Very low	37.6	Very low	253 Å²	253	174.5 Å²	174.5	100%	1.246	83%	0.83	S	S	*	*				0	179	0	-82.2	-170.9	-108	0	0	109.3
2	N	34.8	Very low	38.3	Very low	115 Å²	115	168.3 Å²	168.3	62%	0.615	81%	0.812	S	S	*	*			trans	-136.6	148.5	-150.8	-153.1	-4.7	0	0	0	113
3	Y	28.9	Very low	39	Very low	188 Å²	188	168.7 Å²	168.7	74%	0.737	81%	0.808	S	S	*	*			trans	64.1	148.5	177.2	-45.3	-59.9	0	0	0	115.6
4	L	36.7	Very low	39.8	Very low	158 Å²	158	164.7 Å²	164.7	83%	0.827	79%	0.792	S	S	*	*			cis	-148.7	175.9	34.4	-68.9	153.7	0	0	0	111.2
5	R	36.9	Very low	40.5	Very low	211 Å²	211	159.5 Å²	159.5	80%	0.796	78%	0.78	S	S	*	*			cis	-179.9	136.7	-41.4	-159.4	177.9	-167.3	-179.9	4.2	107.3
6	R	38.4	Very low	40.8	Very low	240 Å²	240	157.9 Å²	157.9	91%	0.906	78%	0.776	S	S	*	*			trans	67.1	154.5	-178.8	-72.8	176.6	162.8	162.7	-6.2	114.9
7	R	40.1	Very low	41.5	Very low	223 Å²	223	152.2 Å²	152.2	84%	0.842	75%	0.748	S	S	*	*			cis	-118.3	138.6	9.6	-60.8	176.1	-177.6	-170.6	0.5	112.4
8	L	37.5	Very low	42.3	Very low	177 Å²	177	149.4 Å²	149.4	93%	0.927	74%	0.744	S	S	*	*			trans	-111	111.2	155.9	-78.4	169.1	0	0	0	106.1
9	S	42.8	Very low	42.6	Very low	95 Å²	95	150.9 Å²	150.9	66%	0.664	76%	0.755	S	S	*	*			trans	-160	47.6	-175.2	-58.3	0	0	0	0	113.4
10	D	34.9	Very low	43.2	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	74%	0.74	S	S	*	*			trans	-114.1	104.3	167.6	-78.8	-60.1	0	0	0	109.8	T12	D10-T12 VanDerWaalsContact C-N 3.26Å; D10-T12 PolarHBondContact O-N 3.1Å
11	S	47.2	Very low	43.4	Very low	110 Å²	110	146.4 Å²	146.4	77%	0.769	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	21.7	-166.2	-55.8	0	0	0	0	114.7
12	T	46.2	Very low	44	Very low	101 Å²	101	139 Å²	139	62%	0.62	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-4.4	-172	34.2	0	0	0	0	115.2	D10 S15 N16	D10-T12 VanDerWaalsContact C-N 3.26Å; D10-T12 PolarHBondContact O-N 3.1Å; T12-S15 PolarHBondContact O-OG 2.91Å; T12-N16 PolarHBondContact O-ND2 2.82Å
13	F	47.5	Very low	44.8	Very low	173 Å²	173	138.5 Å²	138.5	76%	0.759	70%	0.7	S	S	*	*	S	Bend	trans	-77.8	-37.8	176.9	-172.1	-102.9	0	0	0	113.1	S15	F13-S15 PolarHBondContact O-N 3.01Å
14	I	50.4	Low	45.7	Very low	113 Å²	113	134.9 Å²	134.9	58%	0.579	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-75.1	-27.3	-172.8	-62.5	175.8	0	0	0	111.9	N16 M22	I14-N16 PolarHBondContact O-N 2.78Å; I14-N16 VanDerWaalsContact O-N 3.17Å; I14-M22 HydrophobicContact CG2-CE 4.25Å
15	S	50.3	Low	46	Very low	87 Å²	87	133.4 Å²	133.4	61%	0.608	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-73.5	-0.8	-175.4	53.3	0	0	0	0	115.7	T12 F13	T12-S15 PolarHBondContact O-OG 2.91Å; F13-S15 PolarHBondContact O-N 3.01Å
16	N	46	Very low	46.3	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-117	11.9	-178.1	-72.5	-62.3	0	0	0	113.7	T12 I14	T12-N16 PolarHBondContact O-ND2 2.82Å; I14-N16 PolarHBondContact O-N 2.78Å; I14-N16 VanDerWaalsContact O-N 3.17Å
17	L	51.3	Low	46.5	Very low	60 Å²	60	128.9 Å²	128.9	31%	0.314	68%	0.676	S	S	.	*	S	Bend	trans	-87.3	134.1	175.6	-70.1	170.6	0	0	0	111.1	Y21 M22	L17-Y21 HydrophobicContact CD1-CD1 4.27Å; L17-Y21 HydrophobicContact CD2-CD1 3.97Å; L17-Y21 HydrophobicContact CD2-CE1 4.46Å; L17-Y21 HydrophobicContact CD2-CG 4.32Å; L17-M22 HydrophobicContact CD1-CE 4.25Å
18	P	55.9	Low	46.6	Very low	102 Å²	102	123.9 Å²	123.9	66%	0.662	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-60.4	146.4	171.7	-23.8	34.4	0	0	0	112.7	G20 Y21	P18-G20 PolarHBondContact O-N 2.78Å; P18-Y21 PolarHBondContact O-N 2.86Å
19	N	48.3	Very low	47	Very low	179 Å²	179	123 Å²	123	96%	0.957	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	121.5	177.3	-79.9	0.9	0	0	0	111.2
20	G	54.8	Low	47	Very low	45 Å²	45	124.1 Å²	124.1	46%	0.464	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	121.7	-26.5	179.1	0	0	0	0	0	114.5	P18 M22 T23	P18-G20 PolarHBondContact O-N 2.78Å; G20-M22 VanDerWaalsContact C-N 3.28Å; G20-M22 PolarHBondContact O-N 2.95Å; G20-M22 VanDerWaalsContact O-N 3.15Å; G20-T23 PolarHBondContact O-N 3.1Å; G20-T23 PolarHBondContact O-OG1 3.16Å
21	Y	47	Very low	47.2	Very low	161 Å²	161	122 Å²	122	63%	0.631	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-23.6	-169.6	-160.7	-95.1	0	0	0	115.2	L17 P18	L17-Y21 HydrophobicContact CD1-CD1 4.27Å; L17-Y21 HydrophobicContact CD2-CD1 3.97Å; L17-Y21 HydrophobicContact CD2-CE1 4.46Å; L17-Y21 HydrophobicContact CD2-CG 4.32Å; P18-Y21 PolarHBondContact O-N 2.86Å
22	M	48.3	Very low	47	Very low	98 Å²	98	125.5 Å²	125.5	48%	0.483	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-23.2	175.1	-76.2	-72.2	-169.9	0	0	113.5	I14 L17 G20 D24 L25	I14-M22 HydrophobicContact CG2-CE 4.25Å; L17-M22 HydrophobicContact CD1-CE 4.25Å; G20-M22 VanDerWaalsContact C-N 3.28Å; G20-M22 PolarHBondContact O-N 2.95Å; G20-M22 VanDerWaalsContact O-N 3.15Å; M22-D24 PolarHBondContact O-N 2.77Å; M22-L25 PolarHBondContact O-N 2.74Å
23	T	50.6	Low	46.8	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.644	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-75.1	-25.4	-163.9	-32.2	0	0	0	0	113.2	G20	G20-T23 PolarHBondContact O-N 3.1Å; G20-T23 PolarHBondContact O-OG1 3.16Å
24	D	48.1	Very low	46.6	Very low	112 Å²	112	123.8 Å²	123.8	60%	0.599	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-91.1	-5.3	177.7	-81.7	-32.5	0	0	0	114.5	M22 Q26 R27	M22-D24 PolarHBondContact O-N 2.77Å; D24-Q26 VanDerWaalsContact C-N 3.3Å; D24-Q26 PolarHBondContact O-N 3.04Å; D24-R27 IonicContact OD1-CZ 3.98Å; D24-R27 IonicContact OD1-NE 2.69Å; D24-R27 IonicContact OD1-NH2 2.69Å; D24-R27 PolarHBondContact OD1-NH2 3.47Å
25	L	42.2	Very low	46.1	Very low	126 Å²	126	124 Å²	124	66%	0.66	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-85.4	2.7	177.3	-70.5	171.1	0	0	0	113.9	M22	M22-L25 PolarHBondContact O-N 2.74Å
26	Q	43.6	Very low	45.3	Very low	170 Å²	170	126 Å²	126	79%	0.794	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-134.1	19.6	-171.6	-66.4	-174.8	-28.1	0	0	114.1	D24	D24-Q26 VanDerWaalsContact C-N 3.3Å; D24-Q26 PolarHBondContact O-N 3.04Å
27	R	43.8	Very low	44.7	Very low	186 Å²	186	124.9 Å²	124.9	70%	0.702	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-88.6	126.3	175	-143	-174.8	-64.1	-159	3.6	110	D24	D24-R27 IonicContact OD1-CZ 3.98Å; D24-R27 IonicContact OD1-NE 2.69Å; D24-R27 IonicContact OD1-NH2 2.69Å; D24-R27 PolarHBondContact OD1-NH2 3.47Å
28	P	42.7	Very low	43.8	Very low	118 Å²	118	127.5 Å²	127.5	77%	0.766	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69.5	142	176	-19.4	32.5	0	0	0	112.6
29	D	44.9	Very low	42.5	Very low	159 Å²	159	128.4 Å²	128.4	85%	0.85	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.5	144.6	173.9	-79.8	-52.5	0	0	0	112.7
30	P	42	Very low	41.8	Very low	118 Å²	118	126.2 Å²	126.2	77%	0.766	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-73.4	142.8	168.3	31.6	-33.7	0	0	0	111.4
31	A	39.1	Very low	41.3	Very low	104 Å²	104	130 Å²	130	86%	0.86	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-68.8	138.6	-172	0	0	0	0	0	114.3
32	Q	43.9	Very low	40.8	Very low	185 Å²	185	127 Å²	127	86%	0.864	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-86.4	149.1	168.7	-72.3	-170	-42.3	0	0	112.3
33	P	42.3	Very low	40	Very low	119 Å²	119	132.4 Å²	132.4	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-72.7	157.9	169.9	31.4	-34.9	0	0	0	112.5
34	P	41.9	Very low	39	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.4	156.8	-166.7	32.1	-37.2	0	0	0	115.4
35	P	40	Very low	39	Very low	118 Å²	118	132 Å²	132	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.4	152.2	178.7	35.8	-35.5	0	0	0	114
36	P	34.9	Very low	38.4	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.3	161.5	-19	33.5	0	0	0	112.9
37	A	32.4	Very low	37.8	Very low	110 Å²	110	130.3 Å²	130.3	91%	0.909	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.1	163.6	-166.7	0	0	0	0	0	115.8
38	S	32.9	Very low	37.1	Very low	115 Å²	115	124.5 Å²	124.5	80%	0.804	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-103.8	146.6	-177.9	53.2	0	0	0	0	114
39	S	29.7	Very low	37.3	Very low	122 Å²	122	125 Å²	125	85%	0.853	81%	0.809	S	S	*	*			trans	-152	153.9	154	59.2	0	0	0	0	111.5
40	T	33.6	Very low	36.7	Very low	132 Å²	132	123.4 Å²	123.4	81%	0.81	81%	0.805	S	S	*	*			trans	-123.4	-176.1	-169.2	54.5	0	0	0	0	110.2
41	P	44.5	Very low	37	Very low	126 Å²	126	123.2 Å²	123.2	82%	0.818	80%	0.804	S	S	*	*			cis	-123.4	-165.7	-34.5	26.7	-4.8	0	0	0	111.7
42	A	35.5	Very low	37.8	Very low	96 Å²	96	123.8 Å²	123.8	79%	0.793	80%	0.799	S	S	*	*			trans	-79.9	156.1	-172.8	0	0	0	0	0	117.1
43	K	30.7	Very low	37	Very low	213 Å²	213	119.2 Å²	119.2	93%	0.926	79%	0.793	S	S	*	*			trans	-166	160.9	153.4	-110.1	168.6	-172.9	178.6	0	112.6
44	S	29.6	Very low	36.3	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	80%	0.798	S	S	*	*			trans	-133.7	-177.2	171.6	63	0	0	0	0	108.4
45	P	49.3	Very low	35.9	Very low	100 Å²	100	120 Å²	120	65%	0.649	80%	0.797	S	S	*	*			cis	-136.6	-177.3	-3.7	41.1	-22.7	0	0	0	116
46	T	30	Very low	36.2	Very low	137 Å²	137	120.6 Å²	120.6	84%	0.84	80%	0.801	S	S	*	*			trans	60	143.5	155.3	45.2	0	0	0	0	121
47	S	30.4	Very low	36	Very low	123 Å²	123	118.7 Å²	118.7	86%	0.86	80%	0.797	S	S	*	*			cis	-135.6	-150.6	3.2	67.6	0	0	0	0	109.9
48	G	28.3	Very low	36.9	Very low	63 Å²	63	119 Å²	119	65%	0.649	79%	0.79	S	S	*	*			cis	142.9	160.9	3.5	0	0	0	0	0	111.1
49	P	48.5	Very low	36.7	Very low	128 Å²	128	119.5 Å²	119.5	83%	0.831	78%	0.779	S	S	*	*			cis	-120.1	-177.9	-4.9	42.5	-28.5	0	0	0	115.6
50	T	30.7	Very low	36.9	Very low	126 Å²	126	123.1 Å²	123.1	77%	0.773	77%	0.774	S	S	*	*			trans	-66.9	-179.3	179.3	52.2	0	0	0	0	117.6
51	P	48.5	Very low	36.9	Very low	114 Å²	114	124.9 Å²	124.9	74%	0.74	77%	0.771	S	S	*	*			cis	-133.2	-143.4	-32.9	32.1	-7.1	0	0	0	111.9
52	P	56	Low	37	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	76%	0.764	S	S	*	*				-129.4	178.4	-86.7	41.9	-25.3	0	0	0	117.2
53	A	27.7	Very low	37	Very low	89 Å²	89	127.7 Å²	127.7	74%	0.736	77%	0.765	S	S	*	*			trans	104.6	146.5	139.3	0	0	0	0	0	122.6
54	V	27.2	Very low	37	Very low	145 Å²	145	123.8 Å²	123.8	88%	0.879	76%	0.76	S	S	*	*			trans	77.8	136.5	162.8	-156.1	0	0	0	0	119.9
55	S	33.2	Very low	37.1	Very low	107 Å²	107	122.9 Å²	122.9	75%	0.748	75%	0.753	S	S	*	*			trans	-78.8	176.6	177.4	-26.3	0	0	0	0	113.4
56	P	46.4	Very low	36.4	Very low	131 Å²	131	127.3 Å²	127.3	85%	0.851	77%	0.765	S	S	*	*				-153.9	-160.4	59.3	42.1	-18.3	0	0	0	117.3
57	A	31.7	Very low	36.5	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	76%	0.764	S	S	*	*			trans	-92.7	-154.7	174.6	0	0	0	0	0	112.4
58	P	49.6	Very low	36.6	Very low	116 Å²	116	127 Å²	127	75%	0.753	76%	0.763	S	S	*	*			cis	-119.8	-150.9	21.8	44.3	-27.1	0	0	0	113
59	E	29.1	Very low	36.8	Very low	125 Å²	125	129.2 Å²	129.2	58%	0.584	77%	0.768	S	S	*	*			cis	-130.2	167	2.4	-94.1	-103.5	129.9	0	0	108.1
60	R	33.4	Very low	36.2	Very low	199 Å²	199	127.5 Å²	127.5	75%	0.751	77%	0.765	S	S	*	*				71.5	143.9	55.8	-104.6	168.9	175.3	-178.5	3.6	114.2
61	K	34.2	Very low	36.3	Very low	169 Å²	169	125 Å²	125	74%	0.735	76%	0.764	S	S	*	*			cis	-155.8	-176.9	22.2	-103.8	179.6	-176.8	172.6	0	109.5
62	P	48	Very low	36	Very low	103 Å²	103	127.8 Å²	127.8	67%	0.669	77%	0.765	S	S	*	*			cis	-136.2	168	-40	39.7	-22.6	0	0	0	115.6
63	Q	33.9	Very low	35.3	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	77%	0.768	S	S	*	*			trans	17.1	137.9	152.5	-62.3	168.8	-87.6	0	0	121.2
64	T	31.8	Very low	35.4	Very low	131 Å²	131	132.5 Å²	132.5	80%	0.804	77%	0.772	S	S	*	*				-158.4	178.4	59	42.6	0	0	0	0	112.8
65	S	31.3	Very low	35.7	Very low	90 Å²	90	130.9 Å²	130.9	63%	0.629	77%	0.767	S	S	*	*			cis	-172.6	145.7	-40.4	60.7	0	0	0	0	111.8
66	Q	34.2	Very low	36	Very low	192 Å²	192	133.2 Å²	133.2	90%	0.897	77%	0.77	S	S	*	*			trans	67.2	140.2	167.8	-64.9	176.9	-12	0	0	117.8
67	S	32.8	Very low	35.6	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	76%	0.762	S	S	*	*			cis	-144.5	156.4	-2.9	52.9	0	0	0	0	113.9
68	T	32.3	Very low	35.6	Very low	135 Å²	135	136 Å²	136	83%	0.828	77%	0.769	S	S	*	*			trans	-89.8	167.5	-176.2	41	0	0	0	0	113.6
69	S	31.8	Very low	34.9	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	77%	0.766	S	S	*	*			cis	-166.3	173.2	-2.1	36.8	0	0	0	0	112.4
70	A	36.6	Very low	35.4	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	77%	0.773	S	S	*	*			trans	-50	164.8	160.6	0	0	0	0	0	113.7
71	G	33.3	Very low	35.5	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	77%	0.774	S	S	*	*				94.5	157.4	51.5	0	0	0	0	0	110.2
72	F	40.9	Very low	35.7	Very low	173 Å²	173	133.8 Å²	133.8	76%	0.759	77%	0.772	S	S	*	*			cis	-167.5	153.7	-1	-146	-67.4	0	0	0	107.7
73	F	42.1	Very low	35	Very low	190 Å²	190	135 Å²	135	83%	0.833	78%	0.778	S	S	*	*			trans	68	166.9	177.4	-48.3	-73.8	0	0	0	115.6
74	S	30.7	Very low	35	Very low	116 Å²	116	131.4 Å²	131.4	81%	0.811	78%	0.779	S	S	*	*			cis	-142.8	-163.1	8.8	67.5	0	0	0	0	113
75	S	33.3	Very low	35.1	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	78%	0.777	S	S	*	*			trans	-120.6	173.6	-166.4	-55	0	0	0	0	114.8
76	I	39.4	Very low	35.3	Very low	157 Å²	157	131.1 Å²	131.1	81%	0.805	79%	0.788	S	S	*	*			trans	106.5	106.6	158.6	-57.9	177.2	0	0	0	117.9
77	T	38	Very low	35.5	Very low	113 Å²	113	126.8 Å²	126.8	69%	0.693	79%	0.785	S	S	*	*			trans	41.2	128.5	135.7	-46.1	0	0	0	0	122.7
78	N	30.7	Very low	35.7	Very low	165 Å²	165	125.1 Å²	125.1	88%	0.882	79%	0.787	S	S	*	*			trans	-154.8	179.8	139.3	-116.3	-41.5	0	0	0	113.1
79	V	34.4	Very low	35.6	Very low	115 Å²	115	128.3 Å²	128.3	70%	0.697	79%	0.789	S	S	*	*			trans	-130	132.9	-147.7	153.8	0	0	0	0	115
80	V	39.3	Very low	36	Very low	122 Å²	122	129.1 Å²	129.1	74%	0.739	79%	0.789	S	S	*	*			trans	53.2	124	150.2	174.3	0	0	0	0	117.9
81	K	37.2	Very low	36	Very low	174 Å²	174	132.7 Å²	132.7	76%	0.757	79%	0.79	S	S	*	*				-176.2	152.5	68.9	-148.2	165.3	-176.5	-178.7	0	115.3
82	Q	37.1	Very low	36.1	Very low	152 Å²	152	137.3 Å²	137.3	71%	0.71	79%	0.792	S	S	*	*			trans	70	119.1	146.9	-94	168.9	-60.8	0	0	124.7
83	T	33.8	Very low	35.9	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	79%	0.79	S	S	*	*			trans	80.4	101.2	134.4	-45.7	0	0	0	0	121.8
84	A	34.7	Very low	35.7	Very low	103 Å²	103	133.1 Å²	133.1	85%	0.851	79%	0.786	S	S	*	*			trans	-159.2	160.5	135.3	0	0	0	0	0	111.2
85	A	33.2	Very low	36	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	78%	0.783	S	S	*	*			trans	-79.4	138.8	-163.1	0	0	0	0	0	117.2
86	S	35.7	Very low	36.7	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	78%	0.781	S	S	*	*				37.9	98.1	129.5	-50.4	0	0	0	0	120.7
87	A	37.2	Very low	37.4	Very low	101 Å²	101	131.6 Å²	131.6	84%	0.835	77%	0.774	S	S	*	*			trans	-141.1	128.3	141.8	0	0	0	0	0	109	F89	A87-F89 PolarHBondContact O-N 2.92Å; A87-F89 VanDerWaalsContact O-N 3.1Å
88	G	37.4	Very low	38.3	Very low	83 Å²	83	131.9 Å²	131.9	86%	0.856	78%	0.778	S	S	*	*			trans	-80.4	91.1	-169.7	0	0	0	0	0	113.7
89	F	31.6	Very low	40	Very low	202 Å²	202	131.6 Å²	131.6	89%	0.886	77%	0.769	S	S	*	*			trans	-90.9	113.4	157	-121	-99.9	0	0	0	108.6	A87 E91	A87-F89 PolarHBondContact O-N 2.92Å; A87-F89 VanDerWaalsContact O-N 3.1Å; F89-E91 VanDerWaalsContact C-N 3.3Å; F89-E91 PolarHBondContact O-N 2.65Å
90	V	38.8	Very low	42.6	Very low	126 Å²	126	131 Å²	131	76%	0.764	76%	0.757	S	S	*	*			trans	-75.7	91.8	168.7	-179.2	0	0	0	0	106.8	Q92	V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 2.67Å
91	E	36.7	Very low	45.2	Very low	169 Å²	169	130 Å²	130	79%	0.79	74%	0.743	S	S	*	*			trans	-61	101.1	165.7	-173.7	167.5	-146	0	0	107.3	F89 T93	F89-E91 VanDerWaalsContact C-N 3.3Å; F89-E91 PolarHBondContact O-N 2.65Å; E91-T93 PolarHBondContact O-N 3.4Å
92	Q	36.5	Very low	48	Very low	169 Å²	169	122.8 Å²	122.8	79%	0.79	71%	0.711	S	S	*	*			trans	-67.3	89.1	169.8	-78.8	-171.3	-21.4	0	0	107.5	V90 Q94	V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 2.67Å; Q92-Q94 VanDerWaalsContact C-N 3.26Å; Q92-Q94 PolarHBondContact O-N 3.13Å
93	T	36.5	Very low	50.9	Low	116 Å²	116	116.3 Å²	116.3	71%	0.712	68%	0.682	S	S	*	*			trans	-49.6	99.4	157.8	-55.9	0	0	0	0	106.5	E91 V95	E91-T93 PolarHBondContact O-N 3.4Å; T93-V95 PolarHBondContact O-N 2.64Å
94	Q	37.8	Very low	54	Low	159 Å²	159	110.2 Å²	110.2	74%	0.743	64%	0.644	S	S	*	*			trans	-60.2	108.7	176.2	-77.2	-169.9	-9.7	0	0	106.1	Q92 T96	Q92-Q94 VanDerWaalsContact C-N 3.26Å; Q92-Q94 PolarHBondContact O-N 3.13Å; Q94-T96 PolarHBondContact O-N 3.38Å
95	V	36.4	Very low	57	Low	125 Å²	125	105.3 Å²	105.3	76%	0.758	60%	0.604	S	S	*	*			trans	-66.7	87.6	171.3	-178.5	0	0	0	0	105.4	T93 T97	T93-V95 PolarHBondContact O-N 2.64Å; V95-T97 PolarHBondContact O-N 2.83Å
96	T	48.4	Very low	60.2	Low	117 Å²	117	100.9 Å²	100.9	72%	0.718	57%	0.567	S	S	*	*			trans	-68.7	83.5	175.4	36.3	0	0	0	0	106.8	Q94 P98	Q94-T96 PolarHBondContact O-N 3.38Å; T96-P98 VanDerWaalsContact O-N 3.14Å
97	T	53.9	Low	63.2	Low	109 Å²	109	95 Å²	95	67%	0.669	53%	0.526	S	S	*	.			trans	-44.9	123.1	170.4	43.8	0	0	0	0	107.2	V95 K99	V95-T97 PolarHBondContact O-N 2.83Å; T97-K99 PolarHBondContact O-N 2.92Å
98	P	57.9	Low	66.1	Low	119 Å²	119	90.6 Å²	90.6	77%	0.773	49%	0.488	S	S	*	.			trans	-58.4	116.7	-171	21.9	-32.7	0	0	0	107.6	T96 K100	T96-P98 VanDerWaalsContact O-N 3.14Å; P98-K100 PolarHBondContact O-N 2.84Å
99	K	64.8	Low	68.8	Low	159 Å²	159	91 Å²	91	69%	0.691	47%	0.468	S	S	*	.			trans	-56.9	106.5	-170.2	-77.2	-164.5	172.3	-161.2	0	109.4	T97 F101	T97-K99 PolarHBondContact O-N 2.92Å; K99-F101 VanDerWaalsContact O-CD1 3.24Å; K99-F101 WeakPolarHBondContact O-CD1 3.18Å; K99-F101 PolarHBondContact O-N 3.18Å
100	K	89.3	Confident	71.7	Confident	102 Å²	102	85.3 Å²	85.3	44%	0.443	45%	0.451	S	S	.	.			trans	-64.1	125	169.2	-61.7	-167.8	-168.5	174.2	0	107.6	P98 D126 Y127 D128	P98-K100 PolarHBondContact O-N 2.84Å; K100-D126 VanDerWaalsContact CD-OD2 3.32Å; K100-D126 WeakPolarHBondContact CD-OD2 3.48Å; K100-D126 VanDerWaalsContact CE-OD2 3.3Å; K100-D126 WeakPolarHBondContact CE-OD2 3.49Å; K100-D126 IonicContact NZ-OD2 3.21Å; K100-D126 PolarHBondContact NZ-OD2 2.65Å; K100-Y127 HydrophobicContact CB-CD1 3.67Å; K100-Y127 HydrophobicContact CB-CE1 3.89Å; K100-Y127 HydrophobicContact CB-CG 4.07Å; K100-Y127 HydrophobicContact CD-CD1 4.32Å; K100-Y127 HydrophobicContact CD-CD2 4.41Å; K100-Y127 HydrophobicContact CD-CE1 3.86Å; K100-Y127 HydrophobicContact CD-CE2 3.94Å; K100-Y127 HydrophobicContact CG-CE1 4.35Å; K100-Y127 WeakPolarHBondContact O-CA 3.43Å; K100-D128 PolarHBondContact O-N 2.7Å
101	F	94.1	Very high	74.3	Confident	101 Å²	101	85.6 Å²	85.6	44%	0.443	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.4	170.8	60.3	-99.1	0	0	0	110.5	K99 I103 D128 K130	K99-F101 VanDerWaalsContact O-CD1 3.24Å; K99-F101 WeakPolarHBondContact O-CD1 3.18Å; K99-F101 PolarHBondContact O-N 3.18Å; F101-I103 HydrophobicContact CD2-CG1 3.85Å; F101-I103 HydrophobicContact CE2-CD1 3.93Å; F101-I103 HydrophobicContact CE2-CG1 3.66Å; F101-D128 CarbonylContact C-O 3.58Å; F101-D128 WeakPolarHBondContact CA-O 3.44Å; F101-D128 HydrophobicContact CB-CB 4.14Å; F101-D128 WeakPolarHBondContact CB-O 3.49Å; F101-K130 HydrophobicContact CB-CB 4.44Å; F101-K130 HydrophobicContact CD2-CB 3.96Å; F101-K130 HydrophobicContact CD2-CD 4.31Å; F101-K130 HydrophobicContact CE2-CD 4.16Å; F101-K130 HydrophobicContact CG-CB 4.34Å
102	K	96.6	Very high	77	Confident	22 Å²	22	79.8 Å²	79.8	10%	0.096	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.8	166.1	-73.9	-76.3	-169.2	166.6	0	107.8	Y127 D128 K130 D169 M402 E409	K102-Y127 HydrophobicContact CG-CD1 4.02Å; K102-Y127 HydrophobicContact CG-CG 4.33Å; K102-D128 PolarHBondContact N-O 3.34Å; K102-K130 PolarHBondContact O-N 2.78Å; K102-D169 WeakPolarHBondContact CA-OD2 3.4Å; K102-D169 HydrophobicContact CB-CB 4.25Å; K102-D169 HydrophobicContact CD-CB 3.65Å; K102-D169 WeakPolarHBondContact CD-OD1 3.45Å; K102-D169 IonicContact NZ-OD1 2.71Å; K102-D169 PolarHBondContact NZ-OD1 2.96Å; K102-M402 HydrophobicContact CB-CE 3.73Å; K102-E409 VanDerWaalsContact NZ-CD 3.3Å; K102-E409 IonicContact NZ-OE1 2.68Å; K102-E409 PolarHBondContact NZ-OE1 3.22Å; K102-E409 IonicContact NZ-OE2 3.8Å; K102-E409 PolarHBondContact NZ-OE2 2.85Å
103	I	97.8	Very high	79.7	Confident	16 Å²	16	77 Å²	77	8%	0.082	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.1	177.8	-55.6	-170.1	0	0	0	109.7	F101 K130 E132 F166 D169 F170	F101-I103 HydrophobicContact CD2-CG1 3.85Å; F101-I103 HydrophobicContact CE2-CD1 3.93Å; F101-I103 HydrophobicContact CE2-CG1 3.66Å; I103-K130 WeakPolarHBondContact CA-O 3.4Å; I103-K130 HydrophobicContact CD1-CD 4.23Å; I103-K130 HydrophobicContact CG1-CB 4.42Å; I103-K130 HydrophobicContact CG1-CD 4.14Å; I103-E132 HydrophobicContact CG2-CG 4.17Å; I103-F166 HydrophobicContact CD1-CB 4.1Å; I103-F166 HydrophobicContact CG2-CD2 3.97Å; I103-F166 HydrophobicContact CG2-CE2 4.43Å; I103-D169 PolarHBondContact N-OD2 2.92Å; I103-D169 PolarHBondContact O-N 3.05Å; I103-F170 PolarHBondContact O-N 2.9Å
104	L	98.7	Very high	82.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.6	165.4	175.9	68.4	0	0	0	108.9	V106 L118 I129 K130 V131 E132 F170 L172 V398 M402	L104-V106 HydrophobicContact CD2-CG2 3.72Å; L104-V106 HydrophobicContact CG-CG2 3.89Å; L104-L118 HydrophobicContact CD2-CD1 3.27Å; L104-I129 HydrophobicContact CB-CG2 4.07Å; L104-K130 PolarHBondContact N-O 2.99Å; L104-V131 HydrophobicContact CD2-CG2 4.34Å; L104-V131 WeakPolarHBondContact O-CA 3.06Å; L104-E132 PolarHBondContact O-N 3.14Å; L104-F170 HydrophobicContact CD1-CB 4.03Å; L104-F170 HydrophobicContact CD1-CD1 3.65Å; L104-F170 HydrophobicContact CD1-CG 4.3Å; L104-L172 HydrophobicContact CD1-CB 4.44Å; L104-V398 HydrophobicContact CD1-CG1 3.8Å; L104-V398 HydrophobicContact CD2-CG1 3.79Å; L104-V398 HydrophobicContact CG-CG1 4.45Å; L104-M402 HydrophobicContact CB-CE 4.43Å; L104-M402 HydrophobicContact CB-SD 4.36Å; L104-M402 HydrophobicContact CD1-SD 4.26Å
105	L	98.7	Very high	85.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.1	161.2	175.4	58.8	0	0	0	109.3	I107 E132 M139 V151 M153 F166 P168 F170 V171 L172	L105-I107 HydrophobicContact CD2-CD1 4.21Å; L105-I107 HydrophobicContact CD2-CG1 4.17Å; L105-I107 HydrophobicContact CG-CG1 4.03Å; L105-E132 CarbonylContact C-O 3.5Å; L105-E132 WeakPolarHBondContact CA-O 3.22Å; L105-M139 HydrophobicContact CD1-CE 4.24Å; L105-M139 HydrophobicContact CD2-SD 4.16Å; L105-V151 HydrophobicContact CD2-CG1 4.24Å; L105-V151 HydrophobicContact CD2-CG2 4.12Å; L105-M153 HydrophobicContact CD1-CE 4.39Å; L105-F166 HydrophobicContact CB-CE2 4.45Å; L105-F166 HydrophobicContact CD1-CE2 4.29Å; L105-F166 HydrophobicContact CD1-CZ 4.03Å; L105-P168 HydrophobicContact CB-CB 4.01Å; L105-F170 PolarHBondContact N-O 3.25Å; L105-V171 HydrophobicContact CB-CG1 4.16Å; L105-V171 HydrophobicContact CB-CG2 4.33Å; L105-V171 HydrophobicContact CD2-CG1 4.07Å; L105-V171 HydrophobicContact CD2-CG2 4.41Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 CarbonylContact O-C 3.58Å; L105-V171 VanDerWaalsContact O-CA 3.3Å; L105-V171 WeakPolarHBondContact O-CA 3.37Å; L105-L172 PolarHBondContact O-N 2.84Å
106	V	98.8	Very high	88.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.4	167.2	-173.5	0	0	0	0	109.7	L104 D108 W114 V131 E132 Q133 A134 L172	L104-V106 HydrophobicContact CD2-CG2 3.72Å; L104-V106 HydrophobicContact CG-CG2 3.89Å; V106-D108 HydrophobicContact CG1-CB 3.86Å; V106-W114 HydrophobicContact CG1-CB 4.42Å; V106-W114 HydrophobicContact CG1-CD2 4.31Å; V106-W114 HydrophobicContact CG1-CG 3.84Å; V106-W114 HydrophobicContact CG2-CB 4.14Å; V106-W114 HydrophobicContact CG2-CG 4.35Å; V106-V131 HydrophobicContact CG2-CG1 3.94Å; V106-E132 PolarHBondContact N-O 3.43Å; V106-Q133 HydrophobicContact CB-CB 4.34Å; V106-Q133 HydrophobicContact CB-CG 4.24Å; V106-Q133 WeakPolarHBondContact O-CA 3.49Å; V106-A134 PolarHBondContact O-N 3.38Å; V106-L172 WeakPolarHBondContact CA-O 3.28Å; V106-L172 HydrophobicContact CG1-CB 4.31Å; V106-L172 HydrophobicContact CG1-CD2 3.96Å; V106-L172 HydrophobicContact CG1-CG 4.26Å; V106-L172 HydrophobicContact CG2-CB 4.28Å; V106-L172 HydrophobicContact CG2-CD2 4.44Å
107	I	98.7	Very high	90.7	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	82.1	175.9	-43.7	-170.8	0	0	0	108.2	L105 F136 M139 V171 L172 I173 R174 Q175 L193	L105-I107 HydrophobicContact CD2-CD1 4.21Å; L105-I107 HydrophobicContact CD2-CG1 4.17Å; L105-I107 HydrophobicContact CG-CG1 4.03Å; I107-F136 HydrophobicContact CD1-CD1 3.98Å; I107-F136 HydrophobicContact CD1-CE1 3.48Å; I107-F136 VanDerWaalsContact CD1-CE1 3.48Å; I107-F136 HydrophobicContact CD1-CZ 4.01Å; I107-F136 HydrophobicContact CG2-CB 4.4Å; I107-F136 HydrophobicContact CG2-CD1 3.74Å; I107-F136 HydrophobicContact CG2-CD2 3.71Å; I107-F136 HydrophobicContact CG2-CE1 3.89Å; I107-F136 HydrophobicContact CG2-CE2 3.84Å; I107-F136 HydrophobicContact CG2-CG 3.64Å; I107-F136 HydrophobicContact CG2-CZ 3.93Å; I107-M139 HydrophobicContact CB-CE 4.41Å; I107-M139 HydrophobicContact CD1-CE 4.1Å; I107-M139 HydrophobicContact CD1-SD 3.88Å; I107-M139 HydrophobicContact CG1-CE 3.9Å; I107-M139 HydrophobicContact CG1-SD 4.32Å; I107-M139 HydrophobicContact CG2-CE 4Å; I107-V171 HydrophobicContact CD1-CG1 3.92Å; I107-V171 HydrophobicContact CG1-CG1 3.9Å; I107-L172 PolarHBondContact N-O 2.93Å; I107-I173 HydrophobicContact CD1-CD1 4.13Å; I107-I173 HydrophobicContact CD1-CG1 4.02Å; I107-I173 HydrophobicContact CG1-CG1 4.29Å; I107-R174 WeakPolarHBondContact O-CA 3.22Å; I107-R174 WeakPolarHBondContact O-CB 3.35Å; I107-R174 PolarHBondContact O-N 2.79Å; I107-Q175 HydrophobicContact CG2-CB 4.4Å; I107-Q175 PolarHBondContact O-N 3.1Å; I107-L193 HydrophobicContact CD1-CD1 4.4Å
108	D	98.2	Very high	92.7	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.043	29%	0.294	C	S	.	.	S	Bend	trans	-149.1	157.2	-178.2	-154.8	-4.7	0	0	0	110.3	V106 W114 Q133 R174	V106-D108 HydrophobicContact CG1-CB 3.86Å; D108-W114 WeakPolarHBondContact OD2-CZ2 3.32Å; D108-W114 PolarHBondContact OD2-NE1 3.38Å; D108-Q133 PolarHBondContact O-NE2 3.06Å; D108-R174 HydrophobicContact CB-CB 3.64Å; D108-R174 HydrophobicContact CB-CG 4.06Å; D108-R174 WeakPolarHBondContact OD2-CB 3.3Å; D108-R174 WeakPolarHBondContact OD2-CG 3.04Å; D108-R174 IonicContact OD2-NE 2.77Å
109	E	94.8	Very high	94.5	Very high	93 Å²	93	61.3 Å²	61.3	44%	0.435	29%	0.294	S	S	.	.			trans	-57.4	144.1	-178.9	-47.4	172.3	155.3	0	0	111.6	Q111 Q112 Q133	E109-Q111 PolarHBondContact O-N 2.9Å; E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 PolarHBondContact OE2-NE2 3.4Å; E109-Q133 PolarHBondContact O-NE2 3.13Å
110	P	92.6	Very high	95.9	Very high	81 Å²	81	57.1 Å²	57.1	53%	0.526	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.3	-171.9	25.3	-35.3	0	0	0	115.2	Q112 E135	P110-Q112 VanDerWaalsContact C-N 3.27Å; P110-Q112 PolarHBondContact O-N 3.11Å; P110-E135 WeakPolarHBondContact CD-OE2 3.24Å
111	Q	93.1	Very high	96.2	Very high	133 Å²	133	55.2 Å²	55.2	62%	0.621	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.6	174.2	-64.5	80.5	-8.5	0	0	112.2	E109 E113	E109-Q111 PolarHBondContact O-N 2.9Å; Q111-E113 PolarHBondContact O-N 2.9Å
112	Q	93.5	Very high	96.2	Very high	47 Å²	47	54.4 Å²	54.4	22%	0.22	28%	0.284	C	S	.	.	S	Bend	trans	-88.9	95.9	-178.9	-81.1	61.2	-96.1	0	0	109.9	E109 P110 W114 Q133	E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 PolarHBondContact OE2-NE2 3.4Å; P110-Q112 VanDerWaalsContact C-N 3.27Å; P110-Q112 PolarHBondContact O-N 3.11Å; Q112-W114 VanDerWaalsContact C-N 3.3Å; Q112-W114 PolarHBondContact O-N 2.97Å; Q112-Q133 PolarHBondContact O-NE2 3.42Å; Q112-Q133 PolarHBondContact O-OE1 3.2Å; Q112-Q133 VanDerWaalsContact O-OE1 3.12Å
113	E	94.2	Very high	96.1	Very high	109 Å²	109	53.4 Å²	53.4	51%	0.509	28%	0.28	S	S	.	.			trans	-77.1	64.4	-172.4	-60.6	-179	102.2	0	0	114.4	Q111 A115 K116	Q111-E113 PolarHBondContact O-N 2.9Å; E113-A115 PolarHBondContact O-N 2.79Å; E113-A115 VanDerWaalsContact O-N 3.11Å; E113-K116 HydrophobicContact CB-CD 4.03Å; E113-K116 HydrophobicContact CB-CG 4.18Å; E113-K116 VanDerWaalsContact CD-CE 3.4Å; E113-K116 WeakPolarHBondContact O-CB 3.44Å; E113-K116 PolarHBondContact O-N 3.42Å; E113-K116 WeakPolarHBondContact OE1-CE 3.22Å; E113-K116 IonicContact OE1-NZ 3.86Å; E113-K116 PolarHBondContact OE1-NZ 3.39Å; E113-K116 WeakPolarHBondContact OE2-CD 3.41Å; E113-K116 WeakPolarHBondContact OE2-CE 3.45Å; E113-K116 IonicContact OE2-NZ 2.64Å; E113-K116 PolarHBondContact OE2-NZ 2.69Å
114	W	98	Very high	95.8	Very high	2 Å²	2	57 Å²	57	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-31.9	-177.2	-68.5	98	0	0	0	114.2	V106 D108 Q112 K116 L117 L118 L172 R174 R391 I394 A395	V106-W114 HydrophobicContact CG1-CB 4.42Å; V106-W114 HydrophobicContact CG1-CD2 4.31Å; V106-W114 HydrophobicContact CG1-CG 3.84Å; V106-W114 HydrophobicContact CG2-CB 4.14Å; V106-W114 HydrophobicContact CG2-CG 4.35Å; D108-W114 WeakPolarHBondContact OD2-CZ2 3.32Å; D108-W114 PolarHBondContact OD2-NE1 3.38Å; Q112-W114 VanDerWaalsContact C-N 3.3Å; Q112-W114 PolarHBondContact O-N 2.97Å; W114-K116 PolarHBondContact O-N 3.41Å; W114-L117 HydrophobicContact CE3-CD1 3.89Å; W114-L117 HydrophobicContact CZ3-CD1 4.16Å; W114-L117 PolarHBondContact O-N 2.96Å; W114-L117 VanDerWaalsContact O-N 3.16Å; W114-L118 PolarHBondContact O-N 3.28Å; W114-L172 HydrophobicContact CD2-CD2 4.11Å; W114-L172 HydrophobicContact CE3-CD2 3.98Å; W114-L172 HydrophobicContact CH2-CD2 4.05Å; W114-L172 HydrophobicContact CZ2-CD2 4.15Å; W114-L172 HydrophobicContact CZ3-CD2 3.95Å; W114-R174 HydrophobicContact CZ2-CG 4.13Å; W114-R391 HydrophobicContact CH2-CB 4.24Å; W114-R391 HydrophobicContact CH2-CG 4.09Å; W114-R391 HydrophobicContact CZ2-CG 4.34Å; W114-R391 HydrophobicContact CZ3-CB 4.4Å; W114-R391 WeakPolarHBondContact CZ3-O 3.24Å; W114-I394 HydrophobicContact CH2-CB 3.76Å; W114-I394 HydrophobicContact CH2-CD1 4.14Å; W114-I394 HydrophobicContact CH2-CG2 3.49Å; W114-I394 VanDerWaalsContact CH2-CG2 3.49Å; W114-I394 HydrophobicContact CZ3-CB 3.87Å; W114-I394 HydrophobicContact CZ3-CG2 3.61Å; W114-A395 HydrophobicContact CZ3-CB 4.46Å
115	A	97.3	Very high	95.2	Very high	56 Å²	56	60 Å²	60	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-22.5	174.9	0	0	0	0	0	114	E113 V131	E113-A115 PolarHBondContact O-N 2.79Å; E113-A115 VanDerWaalsContact O-N 3.11Å; A115-V131 HydrophobicContact CB-CB 4.02Å; A115-V131 HydrophobicContact CB-CG1 4.21Å
116	K	97.1	Very high	94.7	Very high	131 Å²	131	63.1 Å²	63.1	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-78	-41	174	-68.6	-176.6	179.8	169.4	0	112.1	E113 W114 L118 K119	E113-K116 HydrophobicContact CB-CD 4.03Å; E113-K116 HydrophobicContact CB-CG 4.18Å; E113-K116 VanDerWaalsContact CD-CE 3.4Å; E113-K116 WeakPolarHBondContact O-CB 3.44Å; E113-K116 PolarHBondContact O-N 3.42Å; E113-K116 WeakPolarHBondContact OE1-CE 3.22Å; E113-K116 IonicContact OE1-NZ 3.86Å; E113-K116 PolarHBondContact OE1-NZ 3.39Å; E113-K116 WeakPolarHBondContact OE2-CD 3.41Å; E113-K116 WeakPolarHBondContact OE2-CE 3.45Å; E113-K116 IonicContact OE2-NZ 2.64Å; E113-K116 PolarHBondContact OE2-NZ 2.69Å; W114-K116 PolarHBondContact O-N 3.41Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.84Å; K116-K119 WeakPolarHBondContact O-CB 3.35Å; K116-K119 PolarHBondContact O-N 2.75Å
117	L	97	Very high	94.5	Very high	43 Å²	43	66.3 Å²	66.3	23%	0.225	36%	0.356	C	S	.	.	H	α-helix	trans	-68.4	-31.9	-176.8	-58.7	172.6	0	0	0	112.8	W114 R391 A395	W114-L117 HydrophobicContact CE3-CD1 3.89Å; W114-L117 HydrophobicContact CZ3-CD1 4.16Å; W114-L117 PolarHBondContact O-N 2.96Å; W114-L117 VanDerWaalsContact O-N 3.16Å; L117-R391 HydrophobicContact CD1-CB 3.76Å; L117-A395 HydrophobicContact CB-CB 3.96Å
118	L	96.4	Very high	94.4	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.9	179.3	-68.4	165.3	0	0	0	113.5	L104 W114 K116 G120 K121 I129 V131 A395	L104-L118 HydrophobicContact CD2-CD1 3.27Å; W114-L118 PolarHBondContact O-N 3.28Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.84Å; L118-G120 PolarHBondContact O-N 3.42Å; L118-K121 WeakPolarHBondContact O-CB 3.38Å; L118-K121 PolarHBondContact O-N 3.13Å; L118-K121 VanDerWaalsContact O-N 3.13Å; L118-I129 HydrophobicContact CD2-CD1 4.17Å; L118-V131 HydrophobicContact CB-CG2 4.09Å; L118-V131 HydrophobicContact CD1-CG2 3.81Å; L118-A395 HydrophobicContact CD2-CB 4.08Å; L118-A395 HydrophobicContact CG-CB 4.26Å
119	K	95.2	Very high	94.3	Very high	181 Å²	181	69.4 Å²	69.4	79%	0.787	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	118.2	-176.4	-174.1	-179.2	176.7	-175.5	0	111.2	K116 K121	K116-K119 WeakPolarHBondContact O-CB 3.35Å; K116-K119 PolarHBondContact O-N 2.75Å; K119-K121 PolarHBondContact O-N 2.91Å
120	G	93.3	Very high	94.5	Very high	70 Å²	70	68.9 Å²	68.9	72%	0.722	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-3.5	179.1	0	0	0	0	0	114.9	L118	L118-G120 PolarHBondContact O-N 3.42Å
121	K	95.5	Very high	94.7	Very high	63 Å²	63	66.4 Å²	66.4	27%	0.274	35%	0.352	S	S	.	.			trans	-67.6	146.2	163.3	-54	-77	-169.5	152.6	0	108.3	L118 K119 I129 D396 L399	L118-K121 WeakPolarHBondContact O-CB 3.38Å; L118-K121 PolarHBondContact O-N 3.13Å; L118-K121 VanDerWaalsContact O-N 3.13Å; K119-K121 PolarHBondContact O-N 2.91Å; K121-I129 HydrophobicContact CB-CD1 4.25Å; K121-D396 IonicContact NZ-OD1 2.67Å; K121-D396 PolarHBondContact NZ-OD1 2.94Å; K121-D396 IonicContact NZ-OD2 2.65Å; K121-L399 HydrophobicContact CB-CD1 4.08Å; K121-L399 HydrophobicContact CB-CD2 4.14Å; K121-L399 HydrophobicContact CD-CD2 3.9Å; K121-L399 HydrophobicContact CG-CD2 4.33Å
122	K	95.4	Very high	94.9	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.8	-179.4	-73.5	-173.6	169.2	-69.4	0	112.1	G125 D126 Y127 D128 L399	K122-G125 WeakPolarHBondContact CD-O 3.43Å; K122-D126 PolarHBondContact NZ-O 3.33Å; K122-Y127 CarbonylContact C-O 3.21Å; K122-Y127 VanDerWaalsContact CA-O 3.22Å; K122-Y127 WeakPolarHBondContact CA-O 3.13Å; K122-Y127 WeakPolarHBondContact CB-O 3.43Å; K122-D128 IonicContact NZ-OD1 3.56Å; K122-D128 PolarHBondContact NZ-OD1 3.06Å; K122-L399 WeakPolarHBondContact O-CD1 3.38Å
123	V	95.1	Very high	95.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.8	171.9	177.7	0	0	0	0	108.8	G125 D126 Y127 I129 L399 M402 A406	V123-G125 PolarHBondContact O-N 2.92Å; V123-G125 VanDerWaalsContact O-N 3.1Å; V123-D126 PolarHBondContact O-N 3.46Å; V123-Y127 PolarHBondContact N-O 3.14Å; V123-Y127 WeakPolarHBondContact O-CB 3.34Å; V123-Y127 PolarHBondContact O-N 3.29Å; V123-I129 HydrophobicContact CG2-CD1 3.94Å; V123-I129 HydrophobicContact CG2-CG1 3.86Å; V123-L399 HydrophobicContact CG2-CD1 4.34Å; V123-M402 HydrophobicContact CG1-CB 4.33Å; V123-M402 HydrophobicContact CG2-CB 3.77Å; V123-M402 HydrophobicContact CG2-CE 4.28Å; V123-M402 HydrophobicContact CG2-SD 4.46Å; V123-A406 HydrophobicContact CG1-CB 3.69Å
124	H	90.1	Very high	95.3	Very high	91 Å²	91	55.9 Å²	55.9	42%	0.421	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	29.4	-178.1	-151.4	71.1	0	0	0	114.5	D126 Y127 N403 A406	H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 PolarHBondContact O-N 3.33Å; H124-D126 VanDerWaalsContact O-N 3.16Å; H124-Y127 HydrophobicContact CB-CD2 4.39Å; H124-N403 PolarHBondContact N-OD1 3.16Å; H124-A406 HydrophobicContact CB-CB 3.99Å
125	G	86.7	Confident	95.3	Very high	63 Å²	63	58.5 Å²	58.5	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-30	177.6	0	0	0	0	0	115.8	K122 V123	K122-G125 WeakPolarHBondContact CD-O 3.43Å; V123-G125 PolarHBondContact O-N 2.92Å; V123-G125 VanDerWaalsContact O-N 3.1Å
126	D	88.8	Confident	95.3	Very high	66 Å²	66	56 Å²	56	35%	0.353	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-33.6	-176	70.7	-27.2	0	0	0	115.8	K100 K122 V123 H124 D128	K100-D126 VanDerWaalsContact CD-OD2 3.32Å; K100-D126 WeakPolarHBondContact CD-OD2 3.48Å; K100-D126 VanDerWaalsContact CE-OD2 3.3Å; K100-D126 WeakPolarHBondContact CE-OD2 3.49Å; K100-D126 IonicContact NZ-OD2 3.21Å; K100-D126 PolarHBondContact NZ-OD2 2.65Å; K122-D126 PolarHBondContact NZ-O 3.33Å; V123-D126 PolarHBondContact O-N 3.46Å; H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 PolarHBondContact O-N 3.33Å; H124-D126 VanDerWaalsContact O-N 3.16Å; D126-D128 PolarHBondContact O-N 3.02Å
127	Y	94.1	Very high	95.3	Very high	68 Å²	68	53.2 Å²	53.2	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	123.1	-178.9	-64.6	-106.6	0	0	0	111.9	K100 K102 K122 V123 H124	K100-Y127 HydrophobicContact CB-CD1 3.67Å; K100-Y127 HydrophobicContact CB-CE1 3.89Å; K100-Y127 HydrophobicContact CB-CG 4.07Å; K100-Y127 HydrophobicContact CD-CD1 4.32Å; K100-Y127 HydrophobicContact CD-CD2 4.41Å; K100-Y127 HydrophobicContact CD-CE1 3.86Å; K100-Y127 HydrophobicContact CD-CE2 3.94Å; K100-Y127 HydrophobicContact CG-CE1 4.35Å; K100-Y127 WeakPolarHBondContact O-CA 3.43Å; K102-Y127 HydrophobicContact CG-CD1 4.02Å; K102-Y127 HydrophobicContact CG-CG 4.33Å; K122-Y127 CarbonylContact C-O 3.21Å; K122-Y127 VanDerWaalsContact CA-O 3.22Å; K122-Y127 WeakPolarHBondContact CA-O 3.13Å; K122-Y127 WeakPolarHBondContact CB-O 3.43Å; V123-Y127 PolarHBondContact N-O 3.14Å; V123-Y127 WeakPolarHBondContact O-CB 3.34Å; V123-Y127 PolarHBondContact O-N 3.29Å; H124-Y127 HydrophobicContact CB-CD2 4.39Å
128	D	95.9	Very high	95.2	Very high	47 Å²	47	54.6 Å²	54.6	25%	0.251	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	148.1	167.4	-75.5	-27.7	0	0	0	110.8	K100 F101 K102 K122 D126	K100-D128 PolarHBondContact O-N 2.7Å; F101-D128 CarbonylContact C-O 3.58Å; F101-D128 WeakPolarHBondContact CA-O 3.44Å; F101-D128 HydrophobicContact CB-CB 4.14Å; F101-D128 WeakPolarHBondContact CB-O 3.49Å; K102-D128 PolarHBondContact N-O 3.34Å; K122-D128 IonicContact NZ-OD1 3.56Å; K122-D128 PolarHBondContact NZ-OD1 3.06Å; D126-D128 PolarHBondContact O-N 3.02Å
129	I	97.5	Very high	95.2	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.5	170	-59.9	179	0	0	0	109.4	L104 L118 K121 V123 V131 L399	L104-I129 HydrophobicContact CB-CG2 4.07Å; L118-I129 HydrophobicContact CD2-CD1 4.17Å; K121-I129 HydrophobicContact CB-CD1 4.25Å; V123-I129 HydrophobicContact CG2-CD1 3.94Å; V123-I129 HydrophobicContact CG2-CG1 3.86Å; I129-V131 HydrophobicContact CG2-CG2 3.94Å; I129-L399 HydrophobicContact CD1-CD1 3.72Å
130	K	97.5	Very high	95.3	Very high	82 Å²	82	51 Å²	51	36%	0.357	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.3	169.8	-167.2	-158	-171.5	-154.7	0	109	F101 K102 I103 L104 E132	F101-K130 HydrophobicContact CB-CB 4.44Å; F101-K130 HydrophobicContact CD2-CB 3.96Å; F101-K130 HydrophobicContact CD2-CD 4.31Å; F101-K130 HydrophobicContact CE2-CD 4.16Å; F101-K130 HydrophobicContact CG-CB 4.34Å; K102-K130 PolarHBondContact O-N 2.78Å; I103-K130 WeakPolarHBondContact CA-O 3.4Å; I103-K130 HydrophobicContact CD1-CD 4.23Å; I103-K130 HydrophobicContact CG1-CB 4.42Å; I103-K130 HydrophobicContact CG1-CD 4.14Å; L104-K130 PolarHBondContact N-O 2.99Å; K130-E132 VanDerWaalsContact CE-OE1 3.24Å; K130-E132 WeakPolarHBondContact CE-OE1 3.36Å; K130-E132 IonicContact NZ-OE1 3.95Å; K130-E132 PolarHBondContact NZ-OE1 3.39Å
131	V	98.1	Very high	95.5	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.4	175.2	-174.9	0	0	0	0	109.7	L104 V106 A115 L118 I129	L104-V131 HydrophobicContact CD2-CG2 4.34Å; L104-V131 WeakPolarHBondContact O-CA 3.06Å; V106-V131 HydrophobicContact CG2-CG1 3.94Å; A115-V131 HydrophobicContact CB-CB 4.02Å; A115-V131 HydrophobicContact CB-CG1 4.21Å; L118-V131 HydrophobicContact CB-CG2 4.09Å; L118-V131 HydrophobicContact CD1-CG2 3.81Å; I129-V131 HydrophobicContact CG2-CG2 3.94Å
132	E	97.6	Very high	95.7	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134	162	-62.4	-79.8	-175.3	0	0	107.1	I103 L104 L105 V106 K130 M153 R164 F166	I103-E132 HydrophobicContact CG2-CG 4.17Å; L104-E132 PolarHBondContact O-N 3.14Å; L105-E132 CarbonylContact C-O 3.5Å; L105-E132 WeakPolarHBondContact CA-O 3.22Å; V106-E132 PolarHBondContact N-O 3.43Å; K130-E132 VanDerWaalsContact CE-OE1 3.24Å; K130-E132 WeakPolarHBondContact CE-OE1 3.36Å; K130-E132 IonicContact NZ-OE1 3.95Å; K130-E132 PolarHBondContact NZ-OE1 3.39Å; E132-M153 HydrophobicContact CB-CE 3.99Å; E132-R164 IonicContact OE1-NH1 2.91Å; E132-R164 IonicContact OE2-CZ 3.72Å; E132-R164 IonicContact OE2-NH1 2.61Å; E132-R164 PolarHBondContact OE2-NH1 3.18Å; E132-R164 IonicContact OE2-NH2 2.98Å; E132-R164 PolarHBondContact OE2-NH2 3.39Å; E132-F166 HydrophobicContact CB-CE1 4.15Å; E132-F166 HydrophobicContact CB-CE2 4.12Å; E132-F166 HydrophobicContact CB-CZ 3.87Å; E132-F166 HydrophobicContact CG-CD1 4.27Å; E132-F166 HydrophobicContact CG-CD2 4.4Å; E132-F166 HydrophobicContact CG-CE1 4.25Å; E132-F166 HydrophobicContact CG-CE2 4.36Å; E132-F166 HydrophobicContact CG-CG 4.37Å; E132-F166 HydrophobicContact CG-CZ 4.3Å
133	Q	97.4	Very high	95.8	Very high	48 Å²	48	46.1 Å²	46.1	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.2	-175.3	178.8	177	-14.7	0	0	110.3	V106 D108 E109 Q112	V106-Q133 HydrophobicContact CB-CB 4.34Å; V106-Q133 HydrophobicContact CB-CG 4.24Å; V106-Q133 WeakPolarHBondContact O-CA 3.49Å; D108-Q133 PolarHBondContact O-NE2 3.06Å; E109-Q133 PolarHBondContact O-NE2 3.13Å; Q112-Q133 PolarHBondContact O-NE2 3.42Å; Q112-Q133 PolarHBondContact O-OE1 3.2Å; Q112-Q133 VanDerWaalsContact O-OE1 3.12Å
134	A	97.1	Very high	95.8	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.041	28%	0.279	C	S	.	.			trans	-164.3	163.4	174.8	0	0	0	0	0	110.2	V106 E138 M139 M153	V106-A134 PolarHBondContact O-N 3.38Å; A134-E138 HydrophobicContact CB-CB 4.21Å; A134-M139 HydrophobicContact CB-CE 4.1Å; A134-M139 VanDerWaalsContact O-CE 3.31Å; A134-M139 WeakPolarHBondContact O-CE 3Å; A134-M153 HydrophobicContact CB-CE 3.51Å; A134-M153 HydrophobicContact CB-CG 3.79Å; A134-M153 HydrophobicContact CB-SD 3.97Å
135	E	97.7	Very high	96	Very high	57 Å²	57	50.6 Å²	50.6	27%	0.266	29%	0.292	S	S	.	.			trans	-77.8	158.3	173.8	-59.8	-166.5	50.8	0	0	112	P110 S137 E138 M139 Q175	P110-E135 WeakPolarHBondContact CD-OE2 3.24Å; E135-S137 PolarHBondContact O-N 2.95Å; E135-E138 HydrophobicContact CB-CG 4.27Å; E135-E138 PolarHBondContact N-OE2 3.39Å; E135-E138 PolarHBondContact O-N 2.83Å; E135-M139 WeakPolarHBondContact O-CE 3.5Å; E135-Q175 PolarHBondContact OE1-NE2 3.18Å
136	F	98.1	Very high	96.2	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.8	-36.3	175.1	-84.6	-58.5	0	0	0	112.5	I107 E138 M139 I173 Q175 A177 F186 L189 I190	I107-F136 HydrophobicContact CD1-CD1 3.98Å; I107-F136 HydrophobicContact CD1-CE1 3.48Å; I107-F136 VanDerWaalsContact CD1-CE1 3.48Å; I107-F136 HydrophobicContact CD1-CZ 4.01Å; I107-F136 HydrophobicContact CG2-CB 4.4Å; I107-F136 HydrophobicContact CG2-CD1 3.74Å; I107-F136 HydrophobicContact CG2-CD2 3.71Å; I107-F136 HydrophobicContact CG2-CE1 3.89Å; I107-F136 HydrophobicContact CG2-CE2 3.84Å; I107-F136 HydrophobicContact CG2-CG 3.64Å; I107-F136 HydrophobicContact CG2-CZ 3.93Å; F136-E138 PolarHBondContact O-N 2.99Å; F136-M139 PolarHBondContact O-N 3.06Å; F136-I173 HydrophobicContact CE2-CG2 4.05Å; F136-I173 HydrophobicContact CZ-CD1 4.45Å; F136-I173 HydrophobicContact CZ-CG2 3.69Å; F136-Q175 HydrophobicContact CD2-CB 3.69Å; F136-Q175 HydrophobicContact CE2-CB 3.88Å; F136-A177 HydrophobicContact CE2-CB 4.09Å; F136-A177 HydrophobicContact CZ-CB 3.98Å; F136-F186 HydrophobicContact CB-CB 4.11Å; F136-F186 HydrophobicContact CB-CD1 3.68Å; F136-F186 HydrophobicContact CB-CD2 3.51Å; F136-F186 HydrophobicContact CB-CE1 3.89Å; F136-F186 HydrophobicContact CB-CE2 3.72Å; F136-F186 HydrophobicContact CB-CG 3.48Å; F136-F186 VanDerWaalsContact CB-CG 3.48Å; F136-F186 HydrophobicContact CB-CZ 3.91Å; F136-F186 HydrophobicContact CD1-CB 3.92Å; F136-F186 HydrophobicContact CD1-CG 4.25Å; F136-F186 HydrophobicContact CD2-CB 4.27Å; F136-F186 AromaticContact CD2-CD2 3.74Å; F136-F186 HydrophobicContact CD2-CD2 3.74Å; F136-F186 HydrophobicContact CD2-CE2 4.38Å; F136-F186 HydrophobicContact CD2-CG 4.16Å; F136-F186 HydrophobicContact CE1-CB 4.36Å; F136-F186 HydrophobicContact CG-CB 3.88Å; F136-F186 HydrophobicContact CG-CD1 4.4Å; F136-F186 AromaticContact CG-CD2 3.76Å; F136-F186 HydrophobicContact CG-CD2 3.76Å; F136-F186 HydrophobicContact CG-CE2 4.39Å; F136-F186 AromaticContact CG-CG 3.76Å; F136-F186 HydrophobicContact CG-CG 3.76Å; F136-L189 HydrophobicContact CB-CD1 4.45Å; F136-L189 HydrophobicContact CD1-CB 4.46Å; F136-L189 HydrophobicContact CD1-CD1 3.84Å; F136-I190 HydrophobicContact CE1-CD1 4.03Å; F136-I190 HydrophobicContact CZ-CD1 3.86Å
137	S	96.8	Very high	95.9	Very high	74 Å²	74	51.5 Å²	51.5	52%	0.517	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.7	179.1	58.6	0	0	0	0	114.1	E135	E135-S137 PolarHBondContact O-N 2.95Å
138	E	95.8	Very high	95.7	Very high	72 Å²	72	50.4 Å²	50.4	34%	0.336	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-97.6	-9.7	-177.6	-61.2	-175.6	116.3	0	0	113.3	A134 E135 F136 Q154	A134-E138 HydrophobicContact CB-CB 4.21Å; E135-E138 HydrophobicContact CB-CG 4.27Å; E135-E138 PolarHBondContact N-OE2 3.39Å; E135-E138 PolarHBondContact O-N 2.83Å; F136-E138 PolarHBondContact O-N 2.99Å; E138-Q154 WeakPolarHBondContact O-CB 3.44Å; E138-Q154 PolarHBondContact O-N 2.96Å
139	M	96.2	Very high	95.7	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.069	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.2	-170.8	71.4	177.9	77.7	0	0	114.7	L105 I107 A134 E135 F136 V151 N152 L189	L105-M139 HydrophobicContact CD1-CE 4.24Å; L105-M139 HydrophobicContact CD2-SD 4.16Å; I107-M139 HydrophobicContact CB-CE 4.41Å; I107-M139 HydrophobicContact CD1-CE 4.1Å; I107-M139 HydrophobicContact CD1-SD 3.88Å; I107-M139 HydrophobicContact CG1-CE 3.9Å; I107-M139 HydrophobicContact CG1-SD 4.32Å; I107-M139 HydrophobicContact CG2-CE 4Å; A134-M139 HydrophobicContact CB-CE 4.1Å; A134-M139 VanDerWaalsContact O-CE 3.31Å; A134-M139 WeakPolarHBondContact O-CE 3Å; E135-M139 WeakPolarHBondContact O-CE 3.5Å; F136-M139 PolarHBondContact O-N 3.06Å; M139-V151 HydrophobicContact CB-CG1 4.26Å; M139-V151 HydrophobicContact SD-CG1 4.36Å; M139-N152 CarbonylContact C-O 3.43Å; M139-N152 VanDerWaalsContact CA-O 3.29Å; M139-N152 WeakPolarHBondContact CA-O 3.33Å; M139-L189 HydrophobicContact CG-CD1 4.08Å
140	N	97.8	Very high	95.7	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.9	171.9	-159.2	-21.1	0	0	0	109.6	N152	N140-N152 PolarHBondContact N-O 2.93Å; N140-N152 PolarHBondContact O-N 3.03Å
141	V	97.6	Very high	95.7	Very high	21 Å²	21	44.8 Å²	44.8	13%	0.127	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.5	-171.6	-179.2	0	0	0	0	110.9	A143 C149 V151 L189 L193	V141-A143 HydrophobicContact CG1-CB 4.47Å; V141-C149 WeakPolarHBondContact CG1-SG 3.44Å; V141-V151 HydrophobicContact CG2-CG2 4.35Å; V141-L189 HydrophobicContact CG2-CD2 4.18Å; V141-L193 HydrophobicContact CG2-CD2 4.35Å; V141-L193 HydrophobicContact CG2-CG 4.39Å
142	V	98	Very high	95.7	Very high	66 Å²	66	45.4 Å²	45.4	40%	0.4	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.3	165.7	-179.1	0	0	0	0	107.8	S150	V142-S150 PolarHBondContact N-O 2.72Å; V142-S150 PolarHBondContact O-N 3.46Å
143	A	97.7	Very high	95.6	Very high	25 Å²	25	44.8 Å²	44.8	21%	0.207	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	-179	0	0	0	0	0	111.4	V141 T148 G192 Y195	V141-A143 HydrophobicContact CG1-CB 4.47Å; A143-T148 CarbonylContact C-O 3.53Å; A143-T148 WeakPolarHBondContact CA-O 3.44Å; A143-G192 VanDerWaalsContact CB-O 3.3Å; A143-G192 WeakPolarHBondContact CB-O 3.42Å; A143-Y195 HydrophobicContact CB-CD1 3.89Å
144	H	95.8	Very high	95.4	Very high	101 Å²	101	46 Å²	46	47%	0.468	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.8	-179.2	-52.8	-81.4	0	0	0	110.8	S146 G147 T148	H144-S146 PolarHBondContact O-N 3.27Å; H144-G147 PolarHBondContact O-N 3.03Å; H144-T148 PolarHBondContact N-O 2.77Å; H144-T148 PolarHBondContact O-N 3.43Å
145	A	94.4	Very high	94.9	Very high	85 Å²	85	48 Å²	48	70%	0.702	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-5.7	179.1	0	0	0	0	0	115	G147 Y195	A145-G147 PolarHBondContact O-N 3.02Å; A145-Y195 HydrophobicContact CB-CE1 4.41Å
146	S	89.9	Confident	94.2	Very high	95 Å²	95	51 Å²	51	66%	0.664	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.3	167	55.5	0	0	0	0	114.1	H144 T148	H144-S146 PolarHBondContact O-N 3.27Å; S146-T148 PolarHBondContact OG-OG1 2.98Å
147	G	83.6	Confident	93.4	Very high	53 Å²	53	59.6 Å²	59.6	55%	0.546	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	38.5	-173.6	0	0	0	0	0	112.1	H144 A145	H144-G147 PolarHBondContact O-N 3.03Å; A145-G147 PolarHBondContact O-N 3.02Å
148	T	89.9	Confident	92.7	Very high	45 Å²	45	63.8 Å²	63.8	28%	0.276	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.4	176.9	57.3	0	0	0	0	111.3	A143 H144 S146	A143-T148 CarbonylContact C-O 3.53Å; A143-T148 WeakPolarHBondContact CA-O 3.44Å; H144-T148 PolarHBondContact N-O 2.77Å; H144-T148 PolarHBondContact O-N 3.43Å; S146-T148 PolarHBondContact OG-OG1 2.98Å
149	C	95.8	Very high	92.2	Very high	8 Å²	8	63.4 Å²	63.4	5%	0.054	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.9	179.5	-164.9	0	0	0	0	109.9	V141 K167 V198	V141-C149 WeakPolarHBondContact CG1-SG 3.44Å; C149-K167 WeakPolarHBondContact O-CA 3.1Å; C149-K167 WeakPolarHBondContact O-CB 3.42Å; C149-K167 VanDerWaalsContact O-CG 3.28Å; C149-K167 WeakPolarHBondContact O-CG 3.38Å; C149-V198 HydrophobicContact CB-CG2 3.38Å
150	S	97.5	Very high	91.8	Very high	29 Å²	29	67 Å²	67	20%	0.203	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.2	172.3	-171.9	0	0	0	0	109.3	V142 F166	V142-S150 PolarHBondContact N-O 2.72Å; V142-S150 PolarHBondContact O-N 3.46Å; S150-F166 WeakPolarHBondContact CA-O 3.07Å
151	V	98	Very high	91.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	174.2	-179.6	0	0	0	0	108.3	L105 M139 V141 S165 F166 P168 L193	L105-V151 HydrophobicContact CD2-CG1 4.24Å; L105-V151 HydrophobicContact CD2-CG2 4.12Å; M139-V151 HydrophobicContact CB-CG1 4.26Å; M139-V151 HydrophobicContact SD-CG1 4.36Å; V141-V151 HydrophobicContact CG2-CG2 4.35Å; V151-S165 WeakPolarHBondContact O-CA 3.24Å; V151-F166 HydrophobicContact CB-CD2 4.35Å; V151-F166 HydrophobicContact CB-CE1 4.46Å; V151-F166 HydrophobicContact CB-CE2 3.83Å; V151-F166 HydrophobicContact CB-CZ 3.88Å; V151-F166 HydrophobicContact CG1-CE1 4.32Å; V151-F166 HydrophobicContact CG1-CE2 4.13Å; V151-F166 HydrophobicContact CG1-CZ 3.71Å; V151-F166 HydrophobicContact CG2-CE2 4.4Å; V151-F166 PolarHBondContact N-O 3.04Å; V151-F166 PolarHBondContact O-N 3.41Å; V151-P168 HydrophobicContact CG2-CG 3.77Å; V151-L193 HydrophobicContact CG2-CD2 4.24Å
152	N	97.2	Very high	91	Very high	42 Å²	42	71.5 Å²	71.5	23%	0.225	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.5	176.2	-64.7	-31.9	0	0	0	107.9	M139 N140 V163 S165	M139-N152 CarbonylContact C-O 3.43Å; M139-N152 VanDerWaalsContact CA-O 3.29Å; M139-N152 WeakPolarHBondContact CA-O 3.33Å; N140-N152 PolarHBondContact N-O 2.93Å; N140-N152 PolarHBondContact O-N 3.03Å; N152-V163 HydrophobicContact CB-CG1 4.01Å; N152-S165 WeakPolarHBondContact OD1-CB 3.28Å; N152-S165 PolarHBondContact OD1-OG 2.89Å
153	M	95.9	Very high	90.8	Very high	2 Å²	2	72.7 Å²	72.7	1%	0.01	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.8	-177.3	175.9	-168.1	-74.3	0	0	110	L105 E132 A134 V155 V163 R164 F166	L105-M153 HydrophobicContact CD1-CE 4.39Å; E132-M153 HydrophobicContact CB-CE 3.99Å; A134-M153 HydrophobicContact CB-CE 3.51Å; A134-M153 HydrophobicContact CB-CG 3.79Å; A134-M153 HydrophobicContact CB-SD 3.97Å; M153-V155 HydrophobicContact CG-CG2 3.76Å; M153-V155 HydrophobicContact SD-CG2 3.64Å; M153-V163 CarbonylContact O-C 3.53Å; M153-V163 WeakPolarHBondContact O-CA 3.49Å; M153-R164 PolarHBondContact N-O 2.81Å; M153-R164 PolarHBondContact O-N 2.86Å; M153-R164 PolarHBondContact SD-NH2 2.92Å; M153-R164 VanDerWaalsContact SD-NH2 3.42Å; M153-F166 HydrophobicContact CB-CE1 3.89Å; M153-F166 HydrophobicContact CE-CE1 3.74Å; M153-F166 HydrophobicContact CE-CZ 3.77Å; M153-F166 HydrophobicContact SD-CE1 4.34Å
154	Q	92.1	Very high	90.6	Very high	75 Å²	75	76.5 Å²	76.5	35%	0.35	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.2	166.3	-65.7	178.2	57.4	0	0	109.3	E138 V163	E138-Q154 WeakPolarHBondContact O-CB 3.44Å; E138-Q154 PolarHBondContact O-N 2.96Å; Q154-V163 HydrophobicContact CG-CG2 4.44Å
155	V	86.9	Confident	90.6	Very high	47 Å²	47	75.6 Å²	75.6	29%	0.285	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.4	174.3	-176.4	0	0	0	0	109.3	M153 R157 V162	M153-V155 HydrophobicContact CG-CG2 3.76Å; M153-V155 HydrophobicContact SD-CG2 3.64Å; V155-R157 PolarHBondContact O-N 3.49Å; V155-V162 PolarHBondContact N-O 3.32Å; V155-V162 PolarHBondContact O-N 3.33Å
156	L	84.3	Confident	90.8	Very high	120 Å²	120	72.3 Å²	72.3	63%	0.628	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.8	173.1	-165.3	73.1	0	0	0	109.7	G159 K161	L156-G159 WeakPolarHBondContact CD1-O 3.48Å; L156-K161 HydrophobicContact CD1-CG 4.03Å
157	R	80	Confident	91.1	Very high	181 Å²	181	73.7 Å²	73.7	68%	0.683	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	177.8	-167.9	177.2	-173.1	-174.7	2.1	109.7	V155 G159 T160 V162	V155-R157 PolarHBondContact O-N 3.49Å; R157-G159 PolarHBondContact O-N 2.9Å; R157-T160 PolarHBondContact N-O 3.34Å; R157-T160 PolarHBondContact O-N 3.01Å; R157-V162 HydrophobicContact CB-CG2 4.34Å
158	N	83.5	Confident	91.8	Very high	163 Å²	163	71.8 Å²	71.8	87%	0.872	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.7	-178.4	-55.4	9.2	0	0	0	113.3	T160	N158-T160 VanDerWaalsContact C-N 3.3Å; N158-T160 PolarHBondContact O-N 2.99Å
159	G	84.7	Confident	92.2	Very high	64 Å²	64	72.3 Å²	72.3	66%	0.66	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-11.4	-176.1	0	0	0	0	0	115.4	L156 R157	L156-G159 WeakPolarHBondContact CD1-O 3.48Å; R157-G159 PolarHBondContact O-N 2.9Å
160	T	87.8	Confident	92.3	Very high	89 Å²	89	72.1 Å²	72.1	55%	0.546	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.1	175.6	-53.8	0	0	0	0	110.8	R157 N158 V162	R157-T160 PolarHBondContact N-O 3.34Å; R157-T160 PolarHBondContact O-N 3.01Å; N158-T160 VanDerWaalsContact C-N 3.3Å; N158-T160 PolarHBondContact O-N 2.99Å; T160-V162 HydrophobicContact CG2-CG2 4.25Å; T160-V162 PolarHBondContact O-N 2.75Å
161	K	86.9	Confident	92.4	Very high	151 Å²	151	70.8 Å²	70.8	66%	0.657	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.6	168	-74.3	-167.9	167.8	-157.9	0	109.8	L156	L156-K161 HydrophobicContact CD1-CG 4.03Å
162	V	91.6	Very high	92.4	Very high	61 Å²	61	70.8 Å²	70.8	37%	0.37	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132	178.8	-177.9	0	0	0	0	108.9	V155 R157 T160	V155-V162 PolarHBondContact N-O 3.32Å; V155-V162 PolarHBondContact O-N 3.33Å; R157-V162 HydrophobicContact CB-CG2 4.34Å; T160-V162 HydrophobicContact CG2-CG2 4.25Å; T160-V162 PolarHBondContact O-N 2.75Å
163	V	93.2	Very high	92.5	Very high	91 Å²	91	68.9 Å²	68.9	55%	0.552	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.6	172.9	-178.3	0	0	0	0	109.5	N152 M153 Q154	N152-V163 HydrophobicContact CB-CG1 4.01Å; M153-V163 CarbonylContact O-C 3.53Å; M153-V163 WeakPolarHBondContact O-CA 3.49Å; Q154-V163 HydrophobicContact CG-CG2 4.44Å
164	R	93.9	Very high	92.6	Very high	105 Å²	105	69.6 Å²	69.6	40%	0.396	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.3	169.5	-57.4	-171.9	-58.9	141.1	12.1	109.2	E132 M153	E132-R164 IonicContact OE1-NH1 2.91Å; E132-R164 IonicContact OE2-CZ 3.72Å; E132-R164 IonicContact OE2-NH1 2.61Å; E132-R164 PolarHBondContact OE2-NH1 3.18Å; E132-R164 IonicContact OE2-NH2 2.98Å; E132-R164 PolarHBondContact OE2-NH2 3.39Å; M153-R164 PolarHBondContact N-O 2.81Å; M153-R164 PolarHBondContact O-N 2.86Å; M153-R164 PolarHBondContact SD-NH2 2.92Å; M153-R164 VanDerWaalsContact SD-NH2 3.42Å
165	S	96.3	Very high	92.9	Very high	81 Å²	81	67.4 Å²	67.4	57%	0.566	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.4	-179.5	-55.6	0	0	0	0	111.3	V151 N152	V151-S165 WeakPolarHBondContact O-CA 3.24Å; N152-S165 WeakPolarHBondContact OD1-CB 3.28Å; N152-S165 PolarHBondContact OD1-OG 2.89Å
166	F	97.3	Very high	93.5	Very high	17 Å²	17	68.3 Å²	68.3	8%	0.075	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.2	175.4	57.3	-89.5	0	0	0	111	I103 L105 E132 S150 V151 M153	I103-F166 HydrophobicContact CD1-CB 4.1Å; I103-F166 HydrophobicContact CG2-CD2 3.97Å; I103-F166 HydrophobicContact CG2-CE2 4.43Å; L105-F166 HydrophobicContact CB-CE2 4.45Å; L105-F166 HydrophobicContact CD1-CE2 4.29Å; L105-F166 HydrophobicContact CD1-CZ 4.03Å; E132-F166 HydrophobicContact CB-CE1 4.15Å; E132-F166 HydrophobicContact CB-CE2 4.12Å; E132-F166 HydrophobicContact CB-CZ 3.87Å; E132-F166 HydrophobicContact CG-CD1 4.27Å; E132-F166 HydrophobicContact CG-CD2 4.4Å; E132-F166 HydrophobicContact CG-CE1 4.25Å; E132-F166 HydrophobicContact CG-CE2 4.36Å; E132-F166 HydrophobicContact CG-CG 4.37Å; E132-F166 HydrophobicContact CG-CZ 4.3Å; S150-F166 WeakPolarHBondContact CA-O 3.07Å; V151-F166 HydrophobicContact CB-CD2 4.35Å; V151-F166 HydrophobicContact CB-CE1 4.46Å; V151-F166 HydrophobicContact CB-CE2 3.83Å; V151-F166 HydrophobicContact CB-CZ 3.88Å; V151-F166 HydrophobicContact CG1-CE1 4.32Å; V151-F166 HydrophobicContact CG1-CE2 4.13Å; V151-F166 HydrophobicContact CG1-CZ 3.71Å; V151-F166 HydrophobicContact CG2-CE2 4.4Å; V151-F166 PolarHBondContact N-O 3.04Å; V151-F166 PolarHBondContact O-N 3.41Å; M153-F166 HydrophobicContact CB-CE1 3.89Å; M153-F166 HydrophobicContact CE-CE1 3.74Å; M153-F166 HydrophobicContact CE-CZ 3.77Å; M153-F166 HydrophobicContact SD-CE1 4.34Å
167	K	97.6	Very high	94.1	Very high	124 Å²	124	62.9 Å²	62.9	54%	0.539	33%	0.328	S	S	.	.			trans	-111.6	111	175.4	-56.6	-168.5	176	-179.5	0	108.6	C149	C149-K167 WeakPolarHBondContact O-CA 3.1Å; C149-K167 WeakPolarHBondContact O-CB 3.42Å; C149-K167 VanDerWaalsContact O-CG 3.28Å; C149-K167 WeakPolarHBondContact O-CG 3.38Å
168	P	97.8	Very high	95	Very high	12 Å²	12	55.3 Å²	55.3	8%	0.078	30%	0.3	C	S	.	.			trans	-71.8	140.9	176.4	29.7	-34.6	0	0	0	111.1	L105 V151 V198	L105-P168 HydrophobicContact CB-CB 4.01Å; V151-P168 HydrophobicContact CG2-CG 3.77Å; P168-V198 HydrophobicContact CB-CG1 4.21Å; P168-V198 HydrophobicContact CG-CG1 3.96Å; P168-V198 HydrophobicContact CG-CG2 4.29Å
169	D	97.4	Very high	95.7	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	26%	0.259	S	S	.	.	S	Bend	trans	-86.3	-22.4	166.1	-67	-93.8	0	0	0	111.7	K102 I103	K102-D169 WeakPolarHBondContact CA-OD2 3.4Å; K102-D169 HydrophobicContact CB-CB 4.25Å; K102-D169 HydrophobicContact CD-CB 3.65Å; K102-D169 WeakPolarHBondContact CD-OD1 3.45Å; K102-D169 IonicContact NZ-OD1 2.71Å; K102-D169 PolarHBondContact NZ-OD1 2.96Å; I103-D169 PolarHBondContact N-OD2 2.92Å; I103-D169 PolarHBondContact O-N 3.05Å
170	F	98.6	Very high	96.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.5	-179.1	-158.6	-88.2	0	0	0	111.3	I103 L104 L105 P199 I201 V398 K401 M402 L405	I103-F170 PolarHBondContact O-N 2.9Å; L104-F170 HydrophobicContact CD1-CB 4.03Å; L104-F170 HydrophobicContact CD1-CD1 3.65Å; L104-F170 HydrophobicContact CD1-CG 4.3Å; L105-F170 PolarHBondContact N-O 3.25Å; F170-P199 CarbonylContact C-O 3.59Å; F170-P199 WeakPolarHBondContact CA-O 3.38Å; F170-P199 HydrophobicContact CD2-CB 3.87Å; F170-P199 HydrophobicContact CE2-CB 3.95Å; F170-I201 HydrophobicContact CE1-CB 4.35Å; F170-I201 HydrophobicContact CE1-CD1 3.84Å; F170-I201 HydrophobicContact CE1-CG1 3.97Å; F170-I201 HydrophobicContact CZ-CD1 3.89Å; F170-I201 HydrophobicContact CZ-CG1 3.85Å; F170-V398 HydrophobicContact CD1-CG1 4.3Å; F170-V398 HydrophobicContact CE1-CG1 4.37Å; F170-K401 HydrophobicContact CE2-CB 4.01Å; F170-K401 HydrophobicContact CZ-CB 3.81Å; F170-M402 HydrophobicContact CB-CE 3.93Å; F170-M402 HydrophobicContact CB-CG 3.89Å; F170-M402 HydrophobicContact CB-SD 4.04Å; F170-M402 HydrophobicContact CD1-CG 4.18Å; F170-M402 HydrophobicContact CD2-CG 3.79Å; F170-M402 HydrophobicContact CE2-CG 4.36Å; F170-M402 HydrophobicContact CG-CG 3.68Å; F170-M402 HydrophobicContact CG-SD 4.29Å; F170-L405 HydrophobicContact CD2-CD1 3.54Å; F170-L405 HydrophobicContact CE2-CD1 3.46Å; F170-L405 VanDerWaalsContact CE2-CD1 3.46Å
171	V	98.8	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131	174.4	-163.7	0	0	0	0	112.8	L105 I107 I173 L193 V198 P199 S200 I201	L105-V171 HydrophobicContact CB-CG1 4.16Å; L105-V171 HydrophobicContact CB-CG2 4.33Å; L105-V171 HydrophobicContact CD2-CG1 4.07Å; L105-V171 HydrophobicContact CD2-CG2 4.41Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 CarbonylContact O-C 3.58Å; L105-V171 VanDerWaalsContact O-CA 3.3Å; L105-V171 WeakPolarHBondContact O-CA 3.37Å; I107-V171 HydrophobicContact CD1-CG1 3.92Å; I107-V171 HydrophobicContact CG1-CG1 3.9Å; V171-I173 HydrophobicContact CB-CG1 4.42Å; V171-I173 HydrophobicContact CG1-CD1 4.08Å; V171-I173 HydrophobicContact CG1-CG1 3.58Å; V171-L193 HydrophobicContact CG2-CD1 4.34Å; V171-L193 HydrophobicContact CG2-CD2 4.17Å; V171-V198 HydrophobicContact CG2-CB 4.38Å; V171-V198 HydrophobicContact CG2-CG1 3.63Å; V171-P199 PolarHBondContact N-O 2.91Å; V171-S200 CarbonylContact O-C 3.57Å; V171-S200 WeakPolarHBondContact O-CA 3.4Å; V171-S200 VanDerWaalsContact O-CB 3.22Å; V171-S200 WeakPolarHBondContact O-CB 3.27Å; V171-I201 PolarHBondContact O-N 3.3Å
172	L	98.9	Very high	96.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.2	161.9	172.6	64.6	0	0	0	108.8	L104 L105 V106 I107 W114 R174 I201 I357 I394 V398	L104-L172 HydrophobicContact CD1-CB 4.44Å; L105-L172 PolarHBondContact O-N 2.84Å; V106-L172 WeakPolarHBondContact CA-O 3.28Å; V106-L172 HydrophobicContact CG1-CB 4.31Å; V106-L172 HydrophobicContact CG1-CD2 3.96Å; V106-L172 HydrophobicContact CG1-CG 4.26Å; V106-L172 HydrophobicContact CG2-CB 4.28Å; V106-L172 HydrophobicContact CG2-CD2 4.44Å; I107-L172 PolarHBondContact N-O 2.93Å; W114-L172 HydrophobicContact CD2-CD2 4.11Å; W114-L172 HydrophobicContact CE3-CD2 3.98Å; W114-L172 HydrophobicContact CH2-CD2 4.05Å; W114-L172 HydrophobicContact CZ2-CD2 4.15Å; W114-L172 HydrophobicContact CZ3-CD2 3.95Å; L172-R174 HydrophobicContact CD1-CG 4.34Å; L172-R174 HydrophobicContact CD2-CG 4.17Å; L172-R174 HydrophobicContact CG-CG 3.97Å; L172-I201 HydrophobicContact CD1-CB 4.1Å; L172-I201 HydrophobicContact CD1-CG2 3.92Å; L172-I357 HydrophobicContact CD1-CD1 4.41Å; L172-I394 HydrophobicContact CD1-CG2 3.79Å; L172-I394 HydrophobicContact CD2-CG2 3.72Å; L172-I394 HydrophobicContact CG-CG2 4.43Å; L172-V398 HydrophobicContact CB-CG2 4.15Å; L172-V398 HydrophobicContact CD1-CG2 4.03Å; L172-V398 HydrophobicContact CD2-CG2 4.09Å; L172-V398 HydrophobicContact CG-CG2 4.3Å
173	I	98.8	Very high	97	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.1	-178.8	-56.7	-171.2	0	0	0	110.6	I107 F136 V171 I190 L193 I201 L204 I207 S378	I107-I173 HydrophobicContact CD1-CD1 4.13Å; I107-I173 HydrophobicContact CD1-CG1 4.02Å; I107-I173 HydrophobicContact CG1-CG1 4.29Å; F136-I173 HydrophobicContact CE2-CG2 4.05Å; F136-I173 HydrophobicContact CZ-CD1 4.45Å; F136-I173 HydrophobicContact CZ-CG2 3.69Å; V171-I173 HydrophobicContact CB-CG1 4.42Å; V171-I173 HydrophobicContact CG1-CD1 4.08Å; V171-I173 HydrophobicContact CG1-CG1 3.58Å; I173-I190 HydrophobicContact CD1-CD1 3.69Å; I173-L193 HydrophobicContact CD1-CD1 4.36Å; I173-I201 PolarHBondContact N-O 2.89Å; I173-L204 HydrophobicContact CD1-CD2 3.71Å; I173-I207 HydrophobicContact CB-CD1 3.79Å; I173-I207 HydrophobicContact CD1-CD1 3.86Å; I173-I207 HydrophobicContact CG1-CD1 4.18Å; I173-I207 HydrophobicContact CG2-CD1 4.15Å; I173-S378 CarbonylContact O-C 3.55Å; I173-S378 VanDerWaalsContact O-CB 3.25Å; I173-S378 WeakPolarHBondContact O-CB 3.21Å; I173-S378 PolarHBondContact O-OG 2.87Å
174	R	98.7	Very high	97.2	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.068	25%	0.25	C	S	.	.			trans	-118.2	-23.6	-175.3	-66.4	-73	-57.5	136	13.3	113.2	I107 D108 W114 L172 S378 S379 M380	I107-R174 WeakPolarHBondContact O-CA 3.22Å; I107-R174 WeakPolarHBondContact O-CB 3.35Å; I107-R174 PolarHBondContact O-N 2.79Å; D108-R174 HydrophobicContact CB-CB 3.64Å; D108-R174 HydrophobicContact CB-CG 4.06Å; D108-R174 WeakPolarHBondContact OD2-CB 3.3Å; D108-R174 WeakPolarHBondContact OD2-CG 3.04Å; D108-R174 IonicContact OD2-NE 2.77Å; W114-R174 HydrophobicContact CZ2-CG 4.13Å; L172-R174 HydrophobicContact CD1-CG 4.34Å; L172-R174 HydrophobicContact CD2-CG 4.17Å; L172-R174 HydrophobicContact CG-CG 3.97Å; R174-S378 PolarHBondContact NH1-O 3.46Å; R174-S379 WeakPolarHBondContact O-CA 3.16Å; R174-S379 WeakPolarHBondContact O-CB 3.49Å; R174-M380 PolarHBondContact NH1-O 2.96Å; R174-M380 PolarHBondContact NH2-O 3.19Å
175	Q	98.3	Very high	97.4	Very high	29 Å²	29	49 Å²	49	14%	0.136	25%	0.249	C	C	.	.	S	Bend	trans	-78.5	158.9	169	-66.1	-166.2	-44.4	0	0	112.5	I107 E135 F136 S379	I107-Q175 HydrophobicContact CG2-CB 4.4Å; I107-Q175 PolarHBondContact O-N 3.1Å; E135-Q175 PolarHBondContact OE1-NE2 3.18Å; F136-Q175 HydrophobicContact CD2-CB 3.69Å; F136-Q175 HydrophobicContact CE2-CB 3.88Å; Q175-S379 VanDerWaalsContact C-CB 3.5Å; Q175-S379 VanDerWaalsContact O-CB 3.22Å; Q175-S379 WeakPolarHBondContact O-CB 3.38Å
176	H	98.4	Very high	97.5	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.306	23%	0.229	S	C	.	.			trans	-72.7	127.6	171.8	-60.9	-43.4	0	0	0	110.5	F178 H262 S379	H176-F178 VanDerWaalsContact C-N 3.31Å; H176-H262 AromaticContact CD2-CD2 3.26Å; H176-H262 PolarHBondContact CD2-CD2 2.91Å; H176-H262 AromaticContact CD2-CG 3.27Å; H176-H262 AromaticContact CD2-ND1 3.83Å; H176-H262 AromaticContact CD2-NE2 3.74Å; H176-H262 AromaticContact CE1-ND1 3.95Å; H176-H262 AromaticContact CG-CD2 3.57Å; H176-H262 AromaticContact CG-CE1 3.85Å; H176-H262 AromaticContact CG-CG 3.87Å; H176-H262 AromaticContact CG-NE2 3.57Å; H176-H262 AromaticContact ND1-CE1 3.96Å; H176-H262 AromaticContact NE2-CD2 3.94Å; H176-H262 AromaticContact NE2-CG 3.46Å; H176-H262 AromaticContact NE2-ND1 3.71Å; H176-S379 PolarHBondContact CE1-O 3.49Å; H176-S379 WeakPolarHBondContact ND1-CB 3.3Å; H176-S379 PolarHBondContact ND1-OG 3.08Å
177	A	98.3	Very high	97.6	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	24%	0.239	C	C	.	.	S	Bend	trans	-80.9	-9.3	-179.4	0	0	0	0	0	114.3	F136 F186 R187 I190 I207	F136-A177 HydrophobicContact CE2-CB 4.09Å; F136-A177 HydrophobicContact CZ-CB 3.98Å; A177-F186 CarbonylContact O-C 3.55Å; A177-F186 WeakPolarHBondContact O-CA 3.49Å; A177-F186 WeakPolarHBondContact O-CB 3.38Å; A177-F186 PolarHBondContact O-N 2.86Å; A177-R187 PolarHBondContact O-N 3.28Å; A177-I190 HydrophobicContact CB-CD1 3.87Å; A177-I190 HydrophobicContact CB-CG1 3.67Å; A177-I207 HydrophobicContact CB-CG2 3.88Å
178	F	98.6	Very high	97.6	Very high	21 Å²	21	48.3 Å²	48.3	9%	0.092	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-153.9	140.3	177.1	-176.8	-118.2	0	0	0	111.8	H176 M180 E184 D185 R187 C211 H260 H262	H176-F178 VanDerWaalsContact C-N 3.31Å; F178-M180 HydrophobicContact CE1-CG 4.22Å; F178-M180 HydrophobicContact CZ-CG 3.95Å; F178-E184 CarbonylContact C-O 3.57Å; F178-E184 WeakPolarHBondContact CA-O 3.38Å; F178-D185 HydrophobicContact CD2-CB 3.9Å; F178-D185 WeakPolarHBondContact CD2-OD1 3.27Å; F178-D185 HydrophobicContact CE2-CB 4.01Å; F178-R187 HydrophobicContact CB-CG 3.91Å; F178-R187 HydrophobicContact CD2-CG 4.1Å; F178-R187 VanDerWaalsContact CD2-NE 3.33Å; F178-R187 VanDerWaalsContact CE2-CZ 3.48Å; F178-R187 HydrophobicContact CG-CG 4.19Å; F178-C211 HydrophobicContact CB-CB 3.91Å; F178-C211 HydrophobicContact CD1-CB 4.29Å; F178-C211 WeakPolarHBondContact CD1-O 3.33Å; F178-C211 HydrophobicContact CG-CB 4.36Å; F178-H260 HydrophobicContact CD1-CB 3.85Å; F178-H260 AromaticContact CD1-CG 3.72Å; F178-H260 AromaticContact CD1-ND1 3.85Å; F178-H260 HydrophobicContact CE1-CB 3.6Å; F178-H262 PolarHBondContact O-NE2 2.81Å
179	S	97.8	Very high	97.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.021	24%	0.237	C	C	.	.			trans	-154.3	153.3	161.7	-170	0	0	0	0	108.5	T181 E184	S179-T181 WeakPolarHBondContact CB-OG1 3.3Å; S179-T181 PolarHBondContact O-N 3.11Å; S179-T181 PolarHBondContact OG-OG1 3.35Å; S179-E184 WeakPolarHBondContact CB-OE2 3.39Å; S179-E184 PolarHBondContact N-O 3.48Å
180	M	96.9	Very high	97.7	Very high	90 Å²	90	45.5 Å²	45.5	44%	0.443	22%	0.223	S	C	.	.	S	Bend	trans	-78	8	176.6	-68.2	-170.2	66.3	0	0	113.6	F178 H260 T288	F178-M180 HydrophobicContact CE1-CG 4.22Å; F178-M180 HydrophobicContact CZ-CG 3.95Å; M180-H260 WeakPolarHBondContact CB-O 3.12Å; M180-H260 HydrophobicContact CG-CB 4.29Å; M180-H260 WeakPolarHBondContact CG-O 3.45Å; M180-H260 PolarHBondContact N-O 2.74Å; M180-T288 HydrophobicContact CE-CG2 3.59Å; M180-T288 HydrophobicContact SD-CG2 3.77Å
181	T	94.6	Very high	97.7	Very high	39 Å²	39	49.5 Å²	49.5	24%	0.239	24%	0.244	C	C	.	.	S	Bend	trans	-71.7	154.8	171.8	0.3	0	0	0	0	111.4	S179 N183 E184 M265	S179-T181 WeakPolarHBondContact CB-OG1 3.3Å; S179-T181 PolarHBondContact O-N 3.11Å; S179-T181 PolarHBondContact OG-OG1 3.35Å; T181-N183 PolarHBondContact O-N 2.63Å; T181-E184 VanDerWaalsContact CB-OE2 3.25Å; T181-E184 WeakPolarHBondContact CB-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.04Å; T181-E184 PolarHBondContact OG1-OE2 2.87Å; T181-M265 HydrophobicContact CG2-CE 3.75Å; T181-M265 HydrophobicContact CG2-SD 3.6Å; T181-M265 VanDerWaalsContact CG2-SD 3.6Å
182	Q	93.3	Very high	97.7	Very high	169 Å²	169	50.2 Å²	50.2	79%	0.79	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	125.8	-179.8	-173.8	177.8	5	0	0	110.9	E184	Q182-E184 VanDerWaalsContact C-N 3.34Å; Q182-E184 PolarHBondContact O-N 3.22Å
183	N	94.2	Very high	97.7	Very high	134 Å²	134	50.2 Å²	50.2	72%	0.717	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	19.2	179.5	-48.4	-29	0	0	0	116.2	T181 F186	T181-N183 PolarHBondContact O-N 2.63Å; N183-F186 WeakPolarHBondContact O-CZ 3.24Å
184	E	96.4	Very high	97.6	Very high	87 Å²	87	55.4 Å²	55.4	41%	0.407	28%	0.275	S	S	.	.			trans	-109.1	26	179.2	-66.1	-173	169.5	0	0	114.4	F178 S179 T181 Q182 F186	F178-E184 CarbonylContact C-O 3.57Å; F178-E184 WeakPolarHBondContact CA-O 3.38Å; S179-E184 WeakPolarHBondContact CB-OE2 3.39Å; S179-E184 PolarHBondContact N-O 3.48Å; T181-E184 VanDerWaalsContact CB-OE2 3.25Å; T181-E184 WeakPolarHBondContact CB-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.04Å; T181-E184 PolarHBondContact OG1-OE2 2.87Å; Q182-E184 VanDerWaalsContact C-N 3.34Å; Q182-E184 PolarHBondContact O-N 3.22Å; E184-F186 HydrophobicContact CB-CE2 4.41Å
185	D	98.3	Very high	97.6	Very high	71 Å²	71	61.4 Å²	61.4	38%	0.38	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-101.1	105.5	169.6	-171.1	-3	0	0	0	111.1	F178 R187	F178-D185 HydrophobicContact CD2-CB 3.9Å; F178-D185 WeakPolarHBondContact CD2-OD1 3.27Å; F178-D185 HydrophobicContact CE2-CB 4.01Å; D185-R187 WeakPolarHBondContact OD1-CB 3.24Å; D185-R187 VanDerWaalsContact OD1-CG 3.26Å; D185-R187 WeakPolarHBondContact OD1-CG 3.45Å; D185-R187 IonicContact OD1-CZ 3.71Å; D185-R187 PolarHBondContact OD1-N 2.69Å; D185-R187 VanDerWaalsContact OD1-N 3.16Å; D185-R187 IonicContact OD1-NE 2.82Å; D185-R187 PolarHBondContact OD1-NE 3.18Å; D185-R187 IonicContact OD1-NH2 3.48Å; D185-R187 IonicContact OD2-CZ 2.64Å; D185-R187 IonicContact OD2-NE 3.42Å; D185-R187 PolarHBondContact OD2-NE 2.8Å; D185-R187 IonicContact OD2-NH2 2.72Å; D185-R187 PolarHBondContact OD2-NH2 3.01Å
186	F	98.7	Very high	97.6	Very high	32 Å²	32	60.3 Å²	60.3	14%	0.14	30%	0.295	C	S	.	.			trans	-115.9	16.3	-179	-51.3	-62.5	0	0	0	112.2	F136 A177 N183 E184 N188 L189 I190	F136-F186 HydrophobicContact CB-CB 4.11Å; F136-F186 HydrophobicContact CB-CD1 3.68Å; F136-F186 HydrophobicContact CB-CD2 3.51Å; F136-F186 HydrophobicContact CB-CE1 3.89Å; F136-F186 HydrophobicContact CB-CE2 3.72Å; F136-F186 HydrophobicContact CB-CG 3.48Å; F136-F186 VanDerWaalsContact CB-CG 3.48Å; F136-F186 HydrophobicContact CB-CZ 3.91Å; F136-F186 HydrophobicContact CD1-CB 3.92Å; F136-F186 HydrophobicContact CD1-CG 4.25Å; F136-F186 HydrophobicContact CD2-CB 4.27Å; F136-F186 AromaticContact CD2-CD2 3.74Å; F136-F186 HydrophobicContact CD2-CD2 3.74Å; F136-F186 HydrophobicContact CD2-CE2 4.38Å; F136-F186 HydrophobicContact CD2-CG 4.16Å; F136-F186 HydrophobicContact CE1-CB 4.36Å; F136-F186 HydrophobicContact CG-CB 3.88Å; F136-F186 HydrophobicContact CG-CD1 4.4Å; F136-F186 AromaticContact CG-CD2 3.76Å; F136-F186 HydrophobicContact CG-CD2 3.76Å; F136-F186 HydrophobicContact CG-CE2 4.39Å; F136-F186 AromaticContact CG-CG 3.76Å; F136-F186 HydrophobicContact CG-CG 3.76Å; A177-F186 CarbonylContact O-C 3.55Å; A177-F186 WeakPolarHBondContact O-CA 3.49Å; A177-F186 WeakPolarHBondContact O-CB 3.38Å; A177-F186 PolarHBondContact O-N 2.86Å; N183-F186 WeakPolarHBondContact O-CZ 3.24Å; E184-F186 HydrophobicContact CB-CE2 4.41Å; F186-N188 VanDerWaalsContact C-OD1 3.32Å; F186-N188 PolarHBondContact O-N 2.64Å; F186-N188 PolarHBondContact O-OD1 2.87Å; F186-L189 HydrophobicContact CB-CD1 4.25Å; F186-L189 HydrophobicContact CD1-CD1 4.25Å; F186-L189 WeakPolarHBondContact O-CB 3.45Å; F186-L189 PolarHBondContact O-N 3.33Å; F186-I190 PolarHBondContact O-N 2.83Å
187	R	98.8	Very high	97.5	Very high	75 Å²	75	59.7 Å²	59.7	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-30.8	-178.2	-65	177	-65	171.3	1	112.3	A177 F178 D185 L189 I190 I191 C211	A177-R187 PolarHBondContact O-N 3.28Å; F178-R187 HydrophobicContact CB-CG 3.91Å; F178-R187 HydrophobicContact CD2-CG 4.1Å; F178-R187 VanDerWaalsContact CD2-NE 3.33Å; F178-R187 VanDerWaalsContact CE2-CZ 3.48Å; F178-R187 HydrophobicContact CG-CG 4.19Å; D185-R187 WeakPolarHBondContact OD1-CB 3.24Å; D185-R187 VanDerWaalsContact OD1-CG 3.26Å; D185-R187 WeakPolarHBondContact OD1-CG 3.45Å; D185-R187 IonicContact OD1-CZ 3.71Å; D185-R187 PolarHBondContact OD1-N 2.69Å; D185-R187 VanDerWaalsContact OD1-N 3.16Å; D185-R187 IonicContact OD1-NE 2.82Å; D185-R187 PolarHBondContact OD1-NE 3.18Å; D185-R187 IonicContact OD1-NH2 3.48Å; D185-R187 IonicContact OD2-CZ 2.64Å; D185-R187 IonicContact OD2-NE 3.42Å; D185-R187 PolarHBondContact OD2-NE 2.8Å; D185-R187 IonicContact OD2-NH2 2.72Å; D185-R187 PolarHBondContact OD2-NH2 3.01Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 3.3Å; R187-I190 PolarHBondContact O-N 3.1Å; R187-I191 VanDerWaalsContact O-CG1 3.29Å; R187-I191 WeakPolarHBondContact O-CG1 3.33Å; R187-I191 PolarHBondContact O-N 2.83Å; R187-C211 HydrophobicContact CG-CB 4.32Å
188	N	98.4	Very high	97.4	Very high	99 Å²	99	59.9 Å²	59.9	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-36	170.8	62.7	-23.6	0	0	0	113.1	F186 G192	F186-N188 VanDerWaalsContact C-OD1 3.32Å; F186-N188 PolarHBondContact O-N 2.64Å; F186-N188 PolarHBondContact O-OD1 2.87Å; N188-G192 PolarHBondContact O-N 3.06Å
189	L	98.7	Very high	97.4	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-72.4	-39	176.9	-55.9	-177.5	0	0	0	111.1	F136 M139 V141 F186 R187 G192 L193	F136-L189 HydrophobicContact CB-CD1 4.45Å; F136-L189 HydrophobicContact CD1-CB 4.46Å; F136-L189 HydrophobicContact CD1-CD1 3.84Å; M139-L189 HydrophobicContact CG-CD1 4.08Å; V141-L189 HydrophobicContact CG2-CD2 4.18Å; F186-L189 HydrophobicContact CB-CD1 4.25Å; F186-L189 HydrophobicContact CD1-CD1 4.25Å; F186-L189 WeakPolarHBondContact O-CB 3.45Å; F186-L189 PolarHBondContact O-N 3.33Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 3.3Å; L189-G192 PolarHBondContact O-N 3.12Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 3.05Å
190	I	98.8	Very high	97.5	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-46	172	-56.1	-57.1	0	0	0	110.9	F136 I173 A177 F186 R187 G192 L193 Q194 L204 I207	F136-I190 HydrophobicContact CE1-CD1 4.03Å; F136-I190 HydrophobicContact CZ-CD1 3.86Å; I173-I190 HydrophobicContact CD1-CD1 3.69Å; A177-I190 HydrophobicContact CB-CD1 3.87Å; A177-I190 HydrophobicContact CB-CG1 3.67Å; F186-I190 PolarHBondContact O-N 2.83Å; R187-I190 PolarHBondContact O-N 3.1Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 2.69Å; I190-L193 PolarHBondContact O-N 2.64Å; I190-Q194 WeakPolarHBondContact O-CB 3.3Å; I190-Q194 PolarHBondContact O-N 2.84Å; I190-L204 HydrophobicContact CG2-CB 4.18Å; I190-L204 HydrophobicContact CG2-CD2 4.44Å; I190-I207 HydrophobicContact CD1-CG2 3.84Å; I190-I207 HydrophobicContact CG1-CG2 4.19Å
191	I	98.6	Very high	97.5	Very high	89 Å²	89	57.4 Å²	57.4	46%	0.456	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-44	174.4	-68.1	163.5	0	0	0	110.6	R187 Q194 Y195 Y208	R187-I191 VanDerWaalsContact O-CG1 3.29Å; R187-I191 WeakPolarHBondContact O-CG1 3.33Å; R187-I191 PolarHBondContact O-N 2.83Å; I191-Q194 PolarHBondContact O-N 2.86Å; I191-Y195 VanDerWaalsContact O-CB 3.22Å; I191-Y195 WeakPolarHBondContact O-CB 3.32Å; I191-Y195 PolarHBondContact O-N 2.89Å; I191-Y208 HydrophobicContact CD1-CE2 3.94Å; I191-Y208 HydrophobicContact CG1-CD2 4.28Å; I191-Y208 HydrophobicContact CG1-CE2 3.95Å
192	G	98.3	Very high	97.7	Very high	14 Å²	14	55.6 Å²	55.6	14%	0.144	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-45.1	178.3	0	0	0	0	0	113.4	A143 N188 L189 I190 G196	A143-G192 VanDerWaalsContact CB-O 3.3Å; A143-G192 WeakPolarHBondContact CB-O 3.42Å; N188-G192 PolarHBondContact O-N 3.06Å; L189-G192 PolarHBondContact O-N 3.12Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 2.69Å; G192-G196 PolarHBondContact O-N 2.82Å
193	L	98.4	Very high	98	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-41.1	175.7	-68.5	169.8	0	0	0	111.7	I107 V141 V151 V171 I173 L189 I190 G196 G197 V198 L204	I107-L193 HydrophobicContact CD1-CD1 4.4Å; V141-L193 HydrophobicContact CG2-CD2 4.35Å; V141-L193 HydrophobicContact CG2-CG 4.39Å; V151-L193 HydrophobicContact CG2-CD2 4.24Å; V171-L193 HydrophobicContact CG2-CD1 4.34Å; V171-L193 HydrophobicContact CG2-CD2 4.17Å; I173-L193 HydrophobicContact CD1-CD1 4.36Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 3.05Å; I190-L193 PolarHBondContact O-N 2.64Å; L193-G196 CarbonylContact O-C 3.43Å; L193-G196 PolarHBondContact O-N 2.74Å; L193-G197 PolarHBondContact O-N 2.86Å; L193-G197 VanDerWaalsContact O-N 3.11Å; L193-V198 HydrophobicContact CD2-CB 4.48Å; L193-V198 HydrophobicContact CD2-CG2 4.24Å; L193-V198 PolarHBondContact O-N 2.91Å; L193-L204 HydrophobicContact CB-CD1 3.55Å; L193-L204 HydrophobicContact CB-CD2 4.34Å; L193-L204 HydrophobicContact CD1-CD2 4.39Å
194	Q	98.2	Very high	98.2	Very high	110 Å²	110	43 Å²	43	51%	0.514	23%	0.23	S	C	.	.	H	α-helix	trans	-69	-42.4	179.1	178.9	64.8	13.1	0	0	111.7	I190 I191 G196 G197 L204	I190-Q194 WeakPolarHBondContact O-CB 3.3Å; I190-Q194 PolarHBondContact O-N 2.84Å; I191-Q194 PolarHBondContact O-N 2.86Å; Q194-G196 VanDerWaalsContact C-N 3.27Å; Q194-G196 PolarHBondContact O-N 2.93Å; Q194-G197 PolarHBondContact O-N 2.89Å; Q194-L204 HydrophobicContact CB-CB 4.25Å; Q194-L204 HydrophobicContact CB-CD1 3.87Å; Q194-L204 VanDerWaalsContact N-CD1 3.3Å
195	Y	98.1	Very high	98.3	Very high	145 Å²	145	44.2 Å²	44.2	57%	0.569	24%	0.235	S	C	*	.	H	α-helix	trans	-64.3	-34	174.6	-169.8	-84.8	0	0	0	111.8	A143 A145 I191 G197	A143-Y195 HydrophobicContact CB-CD1 3.89Å; A145-Y195 HydrophobicContact CB-CE1 4.41Å; I191-Y195 VanDerWaalsContact O-CB 3.22Å; I191-Y195 WeakPolarHBondContact O-CB 3.32Å; I191-Y195 PolarHBondContact O-N 2.89Å; Y195-G197 VanDerWaalsContact C-N 3.26Å; Y195-G197 PolarHBondContact O-N 2.92Å
196	G	96.9	Very high	98.3	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.8	171.8	0	0	0	0	0	114.9	G192 L193 Q194	G192-G196 PolarHBondContact O-N 2.82Å; L193-G196 CarbonylContact O-C 3.43Å; L193-G196 PolarHBondContact O-N 2.74Å; Q194-G196 VanDerWaalsContact C-N 3.27Å; Q194-G196 PolarHBondContact O-N 2.93Å
197	G	96.6	Very high	98.4	Very high	54 Å²	54	40 Å²	40	56%	0.557	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	19.7	178.1	0	0	0	0	0	115.5	L193 Q194 Y195 P199	L193-G197 PolarHBondContact O-N 2.86Å; L193-G197 VanDerWaalsContact O-N 3.11Å; Q194-G197 PolarHBondContact O-N 2.89Å; Y195-G197 VanDerWaalsContact C-N 3.26Å; Y195-G197 PolarHBondContact O-N 2.92Å; G197-P199 WeakPolarHBondContact O-CD 3.3Å
198	V	97.7	Very high	98.4	Very high	10 Å²	10	42 Å²	42	6%	0.061	22%	0.222	C	C	.	.			trans	-78.6	122.4	-173.1	-164.9	0	0	0	0	111.3	C149 P168 V171 L193 L204	C149-V198 HydrophobicContact CB-CG2 3.38Å; P168-V198 HydrophobicContact CB-CG1 4.21Å; P168-V198 HydrophobicContact CG-CG1 3.96Å; P168-V198 HydrophobicContact CG-CG2 4.29Å; V171-V198 HydrophobicContact CG2-CB 4.38Å; V171-V198 HydrophobicContact CG2-CG1 3.63Å; L193-V198 HydrophobicContact CD2-CB 4.48Å; L193-V198 HydrophobicContact CD2-CG2 4.24Å; L193-V198 PolarHBondContact O-N 2.91Å; V198-L204 WeakPolarHBondContact O-CD1 3.39Å
199	P	98.1	Very high	98.4	Very high	47 Å²	47	38.9 Å²	38.9	31%	0.305	21%	0.206	S	C	.	.			trans	-68.5	151.8	176.9	-20	33.8	0	0	0	113.3	F170 V171 G197 L405	F170-P199 CarbonylContact C-O 3.59Å; F170-P199 WeakPolarHBondContact CA-O 3.38Å; F170-P199 HydrophobicContact CD2-CB 3.87Å; F170-P199 HydrophobicContact CE2-CB 3.95Å; V171-P199 PolarHBondContact N-O 2.91Å; G197-P199 WeakPolarHBondContact O-CD 3.3Å; P199-L405 HydrophobicContact CB-CD1 3.51Å; P199-L405 HydrophobicContact CG-CD1 3.79Å; P199-L405 HydrophobicContact CG-CD2 4.37Å
200	S	98.8	Very high	98.4	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	165.6	-176.3	67.7	0	0	0	0	116.4	V171 N202 L204	V171-S200 CarbonylContact O-C 3.57Å; V171-S200 WeakPolarHBondContact O-CA 3.4Å; V171-S200 VanDerWaalsContact O-CB 3.22Å; V171-S200 WeakPolarHBondContact O-CB 3.27Å; S200-N202 CarbonylContact C-O 3.56Å; S200-N202 VanDerWaalsContact C-O 3.26Å; S200-N202 WeakPolarHBondContact CB-O 3.37Å; S200-N202 CarbonylContact O-C 3.49Å; S200-N202 PolarHBondContact OG-O 2.86Å; S200-L204 VanDerWaalsContact OG-CD2 3.31Å; S200-L204 WeakPolarHBondContact OG-CD2 3.28Å; S200-L204 VanDerWaalsContact OG-CG 3.29Å; S200-L204 WeakPolarHBondContact OG-CG 3.3Å; S200-L204 PolarHBondContact OG-N 2.78Å
201	I	98.8	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.7	163.4	-74.1	155.4	0	0	0	110.4	F170 V171 L172 I173 D356 I357 L397 V398 K401	F170-I201 HydrophobicContact CE1-CB 4.35Å; F170-I201 HydrophobicContact CE1-CD1 3.84Å; F170-I201 HydrophobicContact CE1-CG1 3.97Å; F170-I201 HydrophobicContact CZ-CD1 3.89Å; F170-I201 HydrophobicContact CZ-CG1 3.85Å; V171-I201 PolarHBondContact O-N 3.3Å; L172-I201 HydrophobicContact CD1-CB 4.1Å; L172-I201 HydrophobicContact CD1-CG2 3.92Å; I173-I201 PolarHBondContact N-O 2.89Å; I201-D356 HydrophobicContact CG2-CB 4.21Å; I201-I357 HydrophobicContact CG2-CD1 3.48Å; I201-I357 VanDerWaalsContact CG2-CD1 3.48Å; I201-I357 HydrophobicContact CG2-CG1 3.89Å; I201-L397 HydrophobicContact CD1-CG 4.17Å; I201-V398 HydrophobicContact CD1-CB 4.17Å; I201-V398 HydrophobicContact CD1-CG2 3.63Å; I201-K401 HydrophobicContact CD1-CB 4.17Å; I201-K401 HydrophobicContact CD1-CG 3.95Å; I201-K401 HydrophobicContact CG1-CG 4.28Å
202	N	98.8	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	S	Bend	cis	-63.7	178.7	-19.3	-69.8	-6.3	0	0	0	110.2	S200 L204 S206 I207 D356 I357 S378	S200-N202 CarbonylContact C-O 3.56Å; S200-N202 VanDerWaalsContact C-O 3.26Å; S200-N202 WeakPolarHBondContact CB-O 3.37Å; S200-N202 CarbonylContact O-C 3.49Å; S200-N202 PolarHBondContact OG-O 2.86Å; N202-L204 PolarHBondContact O-N 3.02Å; N202-S206 VanDerWaalsContact CB-OG 3.3Å; N202-S206 WeakPolarHBondContact CB-OG 3.45Å; N202-I207 HydrophobicContact CB-CD1 4.41Å; N202-I207 HydrophobicContact CB-CG1 4.2Å; N202-I207 WeakPolarHBondContact O-CD1 3.41Å; N202-D356 PolarHBondContact OD1-N 3.4Å; N202-I357 PolarHBondContact ND2-O 3Å; N202-I357 PolarHBondContact OD1-N 2.89Å; N202-I357 PolarHBondContact OD1-O 3.44Å; N202-S378 PolarHBondContact N-OG 3.02Å; N202-S378 PolarHBondContact ND2-N 3.35Å
203	S	98.8	Very high	98.3	Very high	35 Å²	35	40 Å²	40	25%	0.245	21%	0.208	C	C	.	.			trans	-55.2	140.1	173.3	66.3	0	0	0	0	111.3	E205 S206 I207	S203-E205 PolarHBondContact O-N 3.12Å; S203-S206 PolarHBondContact O-N 2.72Å; S203-S206 PolarHBondContact O-OG 3.45Å; S203-S206 VanDerWaalsContact OG-CB 3.26Å; S203-S206 WeakPolarHBondContact OG-CB 3.47Å; S203-S206 PolarHBondContact OG-N 2.84Å; S203-S206 VanDerWaalsContact OG-N 3.15Å; S203-S206 PolarHBondContact OG-OG 3.03Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.44Å
204	L	98.7	Very high	98.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-32	177.6	-59.4	178.3	0	0	0	112.1	I173 I190 L193 Q194 V198 S200 N202 I207 Y208	I173-L204 HydrophobicContact CD1-CD2 3.71Å; I190-L204 HydrophobicContact CG2-CB 4.18Å; I190-L204 HydrophobicContact CG2-CD2 4.44Å; L193-L204 HydrophobicContact CB-CD1 3.55Å; L193-L204 HydrophobicContact CB-CD2 4.34Å; L193-L204 HydrophobicContact CD1-CD2 4.39Å; Q194-L204 HydrophobicContact CB-CB 4.25Å; Q194-L204 HydrophobicContact CB-CD1 3.87Å; Q194-L204 VanDerWaalsContact N-CD1 3.3Å; V198-L204 WeakPolarHBondContact O-CD1 3.39Å; S200-L204 VanDerWaalsContact OG-CD2 3.31Å; S200-L204 WeakPolarHBondContact OG-CD2 3.28Å; S200-L204 VanDerWaalsContact OG-CG 3.29Å; S200-L204 WeakPolarHBondContact OG-CG 3.3Å; S200-L204 PolarHBondContact OG-N 2.78Å; N202-L204 PolarHBondContact O-N 3.02Å; L204-I207 PolarHBondContact O-N 2.95Å; L204-Y208 VanDerWaalsContact O-CB 3.3Å; L204-Y208 WeakPolarHBondContact O-CB 3.29Å; L204-Y208 PolarHBondContact O-N 3.37Å
205	E	98.5	Very high	98.4	Very high	112 Å²	112	42.4 Å²	42.4	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-51.9	170.3	-179.3	-178.6	175.8	0	0	112	S203 I207 Y208 N209	S203-E205 PolarHBondContact O-N 3.12Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 PolarHBondContact O-N 3.06Å; E205-Y208 PolarHBondContact O-N 3.49Å; E205-N209 WeakPolarHBondContact O-CB 3.41Å; E205-N209 PolarHBondContact O-N 3.05Å; E205-N209 PolarHBondContact O-ND2 3.42Å
206	S	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-37	179.2	71.1	0	0	0	0	112.2	N202 S203 N209 L210	N202-S206 VanDerWaalsContact CB-OG 3.3Å; N202-S206 WeakPolarHBondContact CB-OG 3.45Å; S203-S206 PolarHBondContact O-N 2.72Å; S203-S206 PolarHBondContact O-OG 3.45Å; S203-S206 VanDerWaalsContact OG-CB 3.26Å; S203-S206 WeakPolarHBondContact OG-CB 3.47Å; S203-S206 PolarHBondContact OG-N 2.84Å; S203-S206 VanDerWaalsContact OG-N 3.15Å; S203-S206 PolarHBondContact OG-OG 3.03Å; S206-N209 PolarHBondContact O-N 3.42Å; S206-L210 VanDerWaalsContact O-CB 3.3Å; S206-L210 WeakPolarHBondContact O-CB 3.4Å; S206-L210 WeakPolarHBondContact O-CD1 3.36Å; S206-L210 WeakPolarHBondContact O-CG 3.36Å; S206-L210 PolarHBondContact O-N 2.83Å
207	I	98.8	Very high	98.4	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-43.9	176.9	-66.9	170.4	0	0	0	110.4	I173 A177 I190 N202 S203 L204 E205 L210 C211	I173-I207 HydrophobicContact CB-CD1 3.79Å; I173-I207 HydrophobicContact CD1-CD1 3.86Å; I173-I207 HydrophobicContact CG1-CD1 4.18Å; I173-I207 HydrophobicContact CG2-CD1 4.15Å; A177-I207 HydrophobicContact CB-CG2 3.88Å; I190-I207 HydrophobicContact CD1-CG2 3.84Å; I190-I207 HydrophobicContact CG1-CG2 4.19Å; N202-I207 HydrophobicContact CB-CD1 4.41Å; N202-I207 HydrophobicContact CB-CG1 4.2Å; N202-I207 WeakPolarHBondContact O-CD1 3.41Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.44Å; L204-I207 PolarHBondContact O-N 2.95Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 PolarHBondContact O-N 3.06Å; I207-L210 PolarHBondContact O-N 3.48Å; I207-C211 PolarHBondContact O-N 3.14Å; I207-C211 PolarHBondContact O-SG 3.2Å
208	Y	98.8	Very high	98.5	Very high	116 Å²	116	35.2 Å²	35.2	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-44.5	175.8	-174.3	-93.4	0	0	0	112	I191 L204 E205 L210 C211	I191-Y208 HydrophobicContact CD1-CE2 3.94Å; I191-Y208 HydrophobicContact CG1-CD2 4.28Å; I191-Y208 HydrophobicContact CG1-CE2 3.95Å; L204-Y208 VanDerWaalsContact O-CB 3.3Å; L204-Y208 WeakPolarHBondContact O-CB 3.29Å; L204-Y208 PolarHBondContact O-N 3.37Å; E205-Y208 PolarHBondContact O-N 3.49Å; Y208-L210 VanDerWaalsContact C-N 3.31Å; Y208-L210 PolarHBondContact O-N 2.72Å; Y208-C211 WeakPolarHBondContact O-CB 3.45Å; Y208-C211 PolarHBondContact O-N 3.3Å; Y208-C211 VanDerWaalsContact O-N 3.16Å
209	N	98.7	Very high	98.6	Very high	35 Å²	35	37 Å²	37	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-33.2	175.8	-82	-88.3	0	0	0	112.7	E205 S206 C211 W215 F352	E205-N209 WeakPolarHBondContact O-CB 3.41Å; E205-N209 PolarHBondContact O-N 3.05Å; E205-N209 PolarHBondContact O-ND2 3.42Å; S206-N209 PolarHBondContact O-N 3.42Å; N209-C211 PolarHBondContact O-N 3.05Å; N209-W215 PolarHBondContact OD1-NE1 3.18Å; N209-F352 HydrophobicContact CB-CB 4.25Å; N209-F352 HydrophobicContact CB-CD1 3.54Å; N209-F352 HydrophobicContact CB-CD2 3.72Å; N209-F352 HydrophobicContact CB-CE1 3.67Å; N209-F352 HydrophobicContact CB-CE2 3.85Å; N209-F352 HydrophobicContact CB-CG 3.57Å; N209-F352 HydrophobicContact CB-CZ 3.83Å
210	L	98.6	Very high	98.6	Very high	29 Å²	29	34.8 Å²	34.8	15%	0.152	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.2	175.8	-73.6	168.2	0	0	0	113.7	S206 I207 Y208 D212 A216 H260 F352 L355	S206-L210 VanDerWaalsContact O-CB 3.3Å; S206-L210 WeakPolarHBondContact O-CB 3.4Å; S206-L210 WeakPolarHBondContact O-CD1 3.36Å; S206-L210 WeakPolarHBondContact O-CG 3.36Å; S206-L210 PolarHBondContact O-N 2.83Å; I207-L210 PolarHBondContact O-N 3.48Å; Y208-L210 VanDerWaalsContact C-N 3.31Å; Y208-L210 PolarHBondContact O-N 2.72Å; L210-D212 PolarHBondContact O-N 3.35Å; L210-A216 HydrophobicContact CD2-CB 3.89Å; L210-H260 PolarHBondContact O-CE1 3.02Å; L210-F352 HydrophobicContact CD2-CD2 4.45Å; L210-F352 HydrophobicContact CD2-CE2 4.15Å; L210-F352 HydrophobicContact CG-CD2 4.32Å; L210-F352 HydrophobicContact CG-CE2 4.36Å; L210-L355 HydrophobicContact CD1-CD2 4.2Å
211	C	98.5	Very high	98.6	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.2	173.1	-65.8	0	0	0	0	114.3	F178 R187 I207 Y208 N209 H260	F178-C211 HydrophobicContact CB-CB 3.91Å; F178-C211 HydrophobicContact CD1-CB 4.29Å; F178-C211 WeakPolarHBondContact CD1-O 3.33Å; F178-C211 HydrophobicContact CG-CB 4.36Å; R187-C211 HydrophobicContact CG-CB 4.32Å; I207-C211 PolarHBondContact O-N 3.14Å; I207-C211 PolarHBondContact O-SG 3.2Å; Y208-C211 WeakPolarHBondContact O-CB 3.45Å; Y208-C211 PolarHBondContact O-N 3.3Å; Y208-C211 VanDerWaalsContact O-N 3.16Å; N209-C211 PolarHBondContact O-N 3.05Å; C211-H260 VanDerWaalsContact C-CE1 3.44Å; C211-H260 PolarHBondContact O-CE1 2.83Å; C211-H260 VanDerWaalsContact O-CE1 3.31Å; C211-H260 PolarHBondContact O-ND1 2.78Å
212	D	98.3	Very high	98.6	Very high	55 Å²	55	40 Å²	40	29%	0.294	20%	0.197	S	C	.	.			trans	-132.9	116.4	169.5	-83.8	-60.7	0	0	0	111.8	L210 W215 A216 Y289	L210-D212 PolarHBondContact O-N 3.35Å; D212-W215 HydrophobicContact CB-CB 3.8Å; D212-W215 WeakPolarHBondContact O-CB 3.43Å; D212-W215 PolarHBondContact O-N 3.4Å; D212-W215 VanDerWaalsContact O-N 3.09Å; D212-A216 PolarHBondContact O-N 2.91Å; D212-Y289 WeakPolarHBondContact OD1-CE1 3.25Å; D212-Y289 VanDerWaalsContact OD1-CZ 3.28Å; D212-Y289 PolarHBondContact OD1-OH 3.01Å
213	K	98.3	Very high	98.5	Very high	47 Å²	47	40.6 Å²	40.6	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-39.1	-174.3	-60	-162.1	172.5	-171.6	0	113.3	W215 A216 F217 H260 A261 H262 E374	K213-W215 VanDerWaalsContact C-N 3.29Å; K213-W215 PolarHBondContact O-N 3.05Å; K213-A216 PolarHBondContact O-N 3.2Å; K213-F217 WeakPolarHBondContact O-CB 3.33Å; K213-F217 PolarHBondContact O-N 3.15Å; K213-H260 WeakPolarHBondContact CE-NE2 3.38Å; K213-A261 WeakPolarHBondContact CE-O 3.26Å; K213-A261 PolarHBondContact NZ-O 3.45Å; K213-H262 PolarHBondContact NZ-ND1 2.84Å; K213-E374 WeakPolarHBondContact CD-OE1 3.31Å; K213-E374 IonicContact NZ-OE1 3.76Å; K213-E374 PolarHBondContact NZ-OE1 3.4Å
214	P	98.6	Very high	98.5	Very high	24 Å²	24	43 Å²	43	16%	0.156	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-29.5	171.6	-22.8	35.7	0	0	0	113.3	F217 A218 F239 Y289 T291	P214-F217 PolarHBondContact O-N 3.24Å; P214-A218 WeakPolarHBondContact O-CB 3.14Å; P214-A218 PolarHBondContact O-N 2.97Å; P214-F239 HydrophobicContact CB-CD2 3.63Å; P214-F239 HydrophobicContact CB-CE2 3.75Å; P214-F239 HydrophobicContact CG-CD2 3.82Å; P214-F239 HydrophobicContact CG-CE2 3.8Å; P214-Y289 VanDerWaalsContact CD-CE2 3.48Å; P214-Y289 WeakPolarHBondContact CD-OH 3.39Å; P214-Y289 HydrophobicContact CG-CD2 3.74Å; P214-Y289 HydrophobicContact CG-CE2 3.44Å; P214-Y289 VanDerWaalsContact CG-CE2 3.44Å; P214-Y289 HydrophobicContact CG-CG 4.49Å; P214-T291 HydrophobicContact CB-CG2 4.45Å; P214-T291 HydrophobicContact CG-CG2 3.96Å
215	W	98.6	Very high	98.5	Very high	137 Å²	137	51.6 Å²	51.6	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-71	-42.7	176.3	-174.8	-112.3	0	0	0	111.7	N209 D212 K213 A218 F352	N209-W215 PolarHBondContact OD1-NE1 3.18Å; D212-W215 HydrophobicContact CB-CB 3.8Å; D212-W215 WeakPolarHBondContact O-CB 3.43Å; D212-W215 PolarHBondContact O-N 3.4Å; D212-W215 VanDerWaalsContact O-N 3.09Å; K213-W215 VanDerWaalsContact C-N 3.29Å; K213-W215 PolarHBondContact O-N 3.05Å; W215-A218 WeakPolarHBondContact O-CB 3.31Å; W215-A218 PolarHBondContact O-N 3.36Å; W215-F352 AromaticContact CD1-CE1 3.82Å; W215-F352 AromaticContact CD1-CZ 3.62Å; W215-F352 HydrophobicContact CG-CZ 4.5Å; W215-F352 AromaticContact NE1-CE1 3.48Å; W215-F352 AromaticContact NE1-CZ 3.8Å
216	A	98.3	Very high	98.5	Very high	6 Å²	6	53.3 Å²	53.3	5%	0.05	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-43.6	168.8	0	0	0	0	0	111.7	L210 D212 K213 A218 Q219 L220 F352 V375	L210-A216 HydrophobicContact CD2-CB 3.89Å; D212-A216 PolarHBondContact O-N 2.91Å; K213-A216 PolarHBondContact O-N 3.2Å; A216-A218 VanDerWaalsContact C-N 3.31Å; A216-A218 PolarHBondContact O-N 2.82Å; A216-Q219 PolarHBondContact O-N 3.02Å; A216-Q219 VanDerWaalsContact O-N 3.14Å; A216-L220 PolarHBondContact O-N 2.98Å; A216-F352 HydrophobicContact CB-CE2 4.46Å; A216-V375 HydrophobicContact CB-CG1 4.19Å
217	F	98.8	Very high	98.4	Very high	14 Å²	14	55.3 Å²	55.3	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-32.4	177.8	-162.9	-90	0	0	0	112.7	K213 P214 Q219 L220 I221 L234 I235 Q237	K213-F217 WeakPolarHBondContact O-CB 3.33Å; K213-F217 PolarHBondContact O-N 3.15Å; P214-F217 PolarHBondContact O-N 3.24Å; F217-Q219 PolarHBondContact O-N 3.15Å; F217-L220 HydrophobicContact CD2-CD1 4.09Å; F217-L220 CarbonylContact O-C 3.51Å; F217-L220 WeakPolarHBondContact O-CA 3.13Å; F217-L220 VanDerWaalsContact O-CB 3.31Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 3.39Å; F217-I221 HydrophobicContact CD1-CD1 3.8Å; F217-I221 HydrophobicContact CD1-CG1 3.9Å; F217-I221 HydrophobicContact CE1-CD1 3.94Å; F217-I221 HydrophobicContact CE1-CG1 3.86Å; F217-I221 PolarHBondContact O-N 2.91Å; F217-L234 HydrophobicContact CD2-CD1 4.5Å; F217-L234 HydrophobicContact CE1-CD1 4.46Å; F217-L234 HydrophobicContact CE1-CD2 3.96Å; F217-L234 HydrophobicContact CE1-CG 4.29Å; F217-L234 HydrophobicContact CE2-CD1 3.72Å; F217-L234 HydrophobicContact CE2-CG 4.3Å; F217-L234 HydrophobicContact CZ-CD1 3.7Å; F217-L234 HydrophobicContact CZ-CD2 3.94Å; F217-L234 HydrophobicContact CZ-CG 3.74Å; F217-I235 HydrophobicContact CE2-CG2 4.07Å; F217-I235 HydrophobicContact CZ-CG2 3.97Å; F217-Q237 HydrophobicContact CE1-CB 3.66Å; F217-Q237 HydrophobicContact CE1-CG 4.38Å; F217-Q237 HydrophobicContact CE2-CB 4.48Å; F217-Q237 HydrophobicContact CZ-CB 3.63Å; F217-Q237 HydrophobicContact CZ-CG 4.39Å
218	A	98.7	Very high	98.4	Very high	32 Å²	32	55.7 Å²	55.7	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-32.5	173.7	0	0	0	0	0	112.8	P214 W215 A216 I221 N222	P214-A218 WeakPolarHBondContact O-CB 3.14Å; P214-A218 PolarHBondContact O-N 2.97Å; W215-A218 WeakPolarHBondContact O-CB 3.31Å; W215-A218 PolarHBondContact O-N 3.36Å; A216-A218 VanDerWaalsContact C-N 3.31Å; A216-A218 PolarHBondContact O-N 2.82Å; A218-I221 PolarHBondContact O-N 2.81Å; A218-N222 PolarHBondContact O-N 2.88Å; A218-N222 PolarHBondContact O-ND2 3.43Å
219	Q	98.6	Very high	98.3	Very high	47 Å²	47	53.7 Å²	53.7	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-31.2	172.3	-52.5	-53.9	-19.3	0	0	112.4	A216 F217 N222 T223 I351 F352	A216-Q219 PolarHBondContact O-N 3.02Å; A216-Q219 VanDerWaalsContact O-N 3.14Å; F217-Q219 PolarHBondContact O-N 3.15Å; Q219-N222 PolarHBondContact O-N 3.27Å; Q219-N222 PolarHBondContact OE1-ND2 3.34Å; Q219-T223 PolarHBondContact O-N 3.3Å; Q219-T223 PolarHBondContact O-OG1 2.84Å; Q219-I351 HydrophobicContact CB-CB 4.27Å; Q219-I351 HydrophobicContact CB-CG2 3.86Å; Q219-I351 HydrophobicContact CG-CB 4.48Å; Q219-F352 HydrophobicContact CG-CE1 3.71Å; Q219-F352 HydrophobicContact CG-CE2 4.28Å; Q219-F352 HydrophobicContact CG-CZ 3.55Å
220	L	98.6	Very high	98.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-37.4	170.7	-49.9	-173.8	0	0	0	111.2	A216 F217 N222 T223 Y224 F232 L234 C348 I372 V375	A216-L220 PolarHBondContact O-N 2.98Å; F217-L220 HydrophobicContact CD2-CD1 4.09Å; F217-L220 CarbonylContact O-C 3.51Å; F217-L220 WeakPolarHBondContact O-CA 3.13Å; F217-L220 VanDerWaalsContact O-CB 3.31Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 3.39Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-T223 WeakPolarHBondContact O-CB 3.33Å; L220-T223 PolarHBondContact O-N 2.83Å; L220-Y224 WeakPolarHBondContact O-CB 3.42Å; L220-Y224 PolarHBondContact O-N 3.36Å; L220-F232 HydrophobicContact CB-CE1 4.24Å; L220-F232 HydrophobicContact CB-CZ 4.49Å; L220-F232 HydrophobicContact CD2-CZ 4.23Å; L220-L234 HydrophobicContact CB-CD1 3.67Å; L220-L234 HydrophobicContact CB-CD2 4.14Å; L220-L234 HydrophobicContact CD1-CD1 4.11Å; L220-C348 VanDerWaalsContact CD2-SG 3.55Å; L220-I372 HydrophobicContact CD1-CG2 4.44Å; L220-V375 HydrophobicContact CD1-CB 4.38Å; L220-V375 HydrophobicContact CD1-CG1 4.21Å; L220-V375 HydrophobicContact CD2-CB 4.1Å; L220-V375 HydrophobicContact CD2-CG1 3.89Å; L220-V375 HydrophobicContact CG-CG1 4.26Å
221	I	98.7	Very high	98.2	Very high	51 Å²	51	64.3 Å²	64.3	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-40.1	172.5	-64.9	172.2	0	0	0	111	F217 A218 T223 Y224 R225 L234	F217-I221 HydrophobicContact CD1-CD1 3.8Å; F217-I221 HydrophobicContact CD1-CG1 3.9Å; F217-I221 HydrophobicContact CE1-CD1 3.94Å; F217-I221 HydrophobicContact CE1-CG1 3.86Å; F217-I221 PolarHBondContact O-N 2.91Å; A218-I221 PolarHBondContact O-N 2.81Å; I221-T223 VanDerWaalsContact C-N 3.33Å; I221-Y224 WeakPolarHBondContact O-CB 3.31Å; I221-Y224 PolarHBondContact O-N 3.22Å; I221-R225 VanDerWaalsContact CG2-CZ 3.47Å; I221-R225 VanDerWaalsContact O-CG 3.27Å; I221-R225 WeakPolarHBondContact O-CG 3.29Å; I221-R225 PolarHBondContact O-N 2.61Å; I221-L234 HydrophobicContact CB-CD2 4.32Å; I221-L234 HydrophobicContact CG1-CD2 3.67Å
222	N	98	Very high	98.2	Very high	74 Å²	74	64 Å²	64	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-39.5	174.1	-67	-25	0	0	0	111.8	A218 Q219 L220 R225 K226	A218-N222 PolarHBondContact O-N 2.88Å; A218-N222 PolarHBondContact O-ND2 3.43Å; Q219-N222 PolarHBondContact O-N 3.27Å; Q219-N222 PolarHBondContact OE1-ND2 3.34Å; L220-N222 VanDerWaalsContact C-N 3.34Å; N222-R225 PolarHBondContact O-N 3.49Å; N222-R225 PolarHBondContact OD1-NH1 3.02Å; N222-R225 VanDerWaalsContact OD1-NH1 3.12Å; N222-K226 WeakPolarHBondContact O-CB 3.22Å; N222-K226 PolarHBondContact O-N 3.48Å; N222-K226 VanDerWaalsContact O-N 3.1Å
223	T	97.9	Very high	98.2	Very high	12 Å²	12	62.2 Å²	62.2	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-45.1	173.5	-61.3	0	0	0	0	112.2	Q219 L220 I221 R225 K226 L227 F232 T347	Q219-T223 PolarHBondContact O-N 3.3Å; Q219-T223 PolarHBondContact O-OG1 2.84Å; L220-T223 WeakPolarHBondContact O-CB 3.33Å; L220-T223 PolarHBondContact O-N 2.83Å; I221-T223 VanDerWaalsContact C-N 3.33Å; T223-R225 PolarHBondContact O-N 3.21Å; T223-K226 PolarHBondContact O-N 3.11Å; T223-K226 VanDerWaalsContact O-N 3.13Å; T223-L227 HydrophobicContact CG2-CD1 3.84Å; T223-L227 HydrophobicContact CG2-CG 4.33Å; T223-L227 PolarHBondContact O-N 3.35Å; T223-F232 HydrophobicContact CG2-CD1 3.81Å; T223-F232 HydrophobicContact CG2-CD2 3.65Å; T223-F232 HydrophobicContact CG2-CE1 3.81Å; T223-F232 HydrophobicContact CG2-CE2 3.66Å; T223-F232 HydrophobicContact CG2-CG 3.73Å; T223-F232 HydrophobicContact CG2-CZ 3.74Å; T223-T347 HydrophobicContact CG2-CG2 3.5Å
224	Y	98.4	Very high	98.3	Very high	87 Å²	87	61 Å²	61	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-56.3	-47.7	174.1	176.2	-92.7	0	0	0	111.9	L220 I221 K226 L227 G228 P229 F232 L234	L220-Y224 WeakPolarHBondContact O-CB 3.42Å; L220-Y224 PolarHBondContact O-N 3.36Å; I221-Y224 WeakPolarHBondContact O-CB 3.31Å; I221-Y224 PolarHBondContact O-N 3.22Å; Y224-K226 VanDerWaalsContact C-N 3.28Å; Y224-K226 PolarHBondContact O-N 2.92Å; Y224-L227 PolarHBondContact O-N 3.03Å; Y224-G228 WeakPolarHBondContact O-CA 3.04Å; Y224-G228 PolarHBondContact O-N 2.82Å; Y224-P229 HydrophobicContact CE2-CB 3.8Å; Y224-F232 VanDerWaalsContact CD2-O 3.28Å; Y224-F232 WeakPolarHBondContact CD2-O 3.41Å; Y224-L234 HydrophobicContact CD2-CB 3.59Å; Y224-L234 HydrophobicContact CE2-CB 4.37Å; Y224-L234 HydrophobicContact CG-CB 4.09Å; Y224-L234 HydrophobicContact CG-CD2 4.47Å
225	R	98.3	Very high	98.3	Very high	184 Å²	184	60 Å²	60	69%	0.694	29%	0.286	S	S	*	.	H	α-helix	trans	-60.9	-33.3	176	-71.3	164.7	176.6	159.2	-3.5	113.1	I221 N222 T223	I221-R225 VanDerWaalsContact CG2-CZ 3.47Å; I221-R225 VanDerWaalsContact O-CG 3.27Å; I221-R225 WeakPolarHBondContact O-CG 3.29Å; I221-R225 PolarHBondContact O-N 2.61Å; N222-R225 PolarHBondContact O-N 3.49Å; N222-R225 PolarHBondContact OD1-NH1 3.02Å; N222-R225 VanDerWaalsContact OD1-NH1 3.12Å; T223-R225 PolarHBondContact O-N 3.21Å
226	K	98	Very high	98.2	Very high	148 Å²	148	60.9 Å²	60.9	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-79.4	-37.5	180	-178.9	-174.4	175	-170.7	0	113.1	N222 T223 Y224	N222-K226 WeakPolarHBondContact O-CB 3.22Å; N222-K226 PolarHBondContact O-N 3.48Å; N222-K226 VanDerWaalsContact O-N 3.1Å; T223-K226 PolarHBondContact O-N 3.11Å; T223-K226 VanDerWaalsContact O-N 3.13Å; Y224-K226 VanDerWaalsContact C-N 3.28Å; Y224-K226 PolarHBondContact O-N 2.92Å
227	L	98.2	Very high	98.2	Very high	41 Å²	41	62.6 Å²	62.6	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-104.8	-23.1	-170.7	-63.7	-174.6	0	0	0	114.7	T223 Y224 K231 F232 L343 T347	T223-L227 HydrophobicContact CG2-CD1 3.84Å; T223-L227 HydrophobicContact CG2-CG 4.33Å; T223-L227 PolarHBondContact O-N 3.35Å; Y224-L227 PolarHBondContact O-N 3.03Å; L227-K231 HydrophobicContact CB-CB 4.15Å; L227-F232 HydrophobicContact CB-CB 3.95Å; L227-F232 HydrophobicContact CD1-CB 4.02Å; L227-F232 HydrophobicContact CD1-CD2 4.33Å; L227-F232 HydrophobicContact CD1-CG 4.43Å; L227-L343 HydrophobicContact CD1-CD1 4.39Å; L227-T347 HydrophobicContact CD1-CG2 4.11Å
228	G	98.1	Very high	98.2	Very high	24 Å²	24	65 Å²	65	25%	0.247	32%	0.319	C	S	.	.			trans	78.9	159.6	-174.3	0	0	0	0	0	114	Y224 E230 K231 F232	Y224-G228 WeakPolarHBondContact O-CA 3.04Å; Y224-G228 PolarHBondContact O-N 2.82Å; G228-E230 VanDerWaalsContact C-N 3.31Å; G228-E230 PolarHBondContact O-N 3.46Å; G228-K231 PolarHBondContact O-N 2.76Å; G228-F232 PolarHBondContact O-N 2.84Å
229	P	96.8	Very high	98.2	Very high	74 Å²	74	68.4 Å²	68.4	48%	0.481	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.1	-172.6	22.3	-33.4	0	0	0	114	Y224 K231 F232 P233	Y224-P229 HydrophobicContact CE2-CB 3.8Å; P229-K231 VanDerWaalsContact C-N 3.35Å; P229-K231 PolarHBondContact O-N 2.72Å; P229-F232 CarbonylContact O-C 3.56Å; P229-P233 VanDerWaalsContact O-CA 3.32Å; P229-P233 WeakPolarHBondContact O-CA 3.42Å; P229-P233 WeakPolarHBondContact O-CB 3.32Å
230	E	97.1	Very high	98.2	Very high	166 Å²	166	66.4 Å²	66.4	78%	0.776	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-42.6	179.8	-61.5	-176.4	158.7	0	0	112.3	G228 R340	G228-E230 VanDerWaalsContact C-N 3.31Å; G228-E230 PolarHBondContact O-N 3.46Å; E230-R340 PolarHBondContact O-NH1 2.93Å
231	K	98.2	Very high	98.2	Very high	121 Å²	121	69.8 Å²	69.8	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-38	-176.5	-67.6	-178.9	-177.2	174.5	0	111.9	L227 G228 P229 L343 W344	L227-K231 HydrophobicContact CB-CB 4.15Å; G228-K231 PolarHBondContact O-N 2.76Å; P229-K231 VanDerWaalsContact C-N 3.35Å; P229-K231 PolarHBondContact O-N 2.72Å; K231-L343 HydrophobicContact CB-CD2 4.14Å; K231-W344 PolarHBondContact O-NE1 2.82Å
232	F	98.6	Very high	98.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-134	83.4	-177.2	-165.3	-93.4	0	0	0	109.9	L220 T223 Y224 L227 G228 P229 L234 W344 I372	L220-F232 HydrophobicContact CB-CE1 4.24Å; L220-F232 HydrophobicContact CB-CZ 4.49Å; L220-F232 HydrophobicContact CD2-CZ 4.23Å; T223-F232 HydrophobicContact CG2-CD1 3.81Å; T223-F232 HydrophobicContact CG2-CD2 3.65Å; T223-F232 HydrophobicContact CG2-CE1 3.81Å; T223-F232 HydrophobicContact CG2-CE2 3.66Å; T223-F232 HydrophobicContact CG2-CG 3.73Å; T223-F232 HydrophobicContact CG2-CZ 3.74Å; Y224-F232 VanDerWaalsContact CD2-O 3.28Å; Y224-F232 WeakPolarHBondContact CD2-O 3.41Å; L227-F232 HydrophobicContact CB-CB 3.95Å; L227-F232 HydrophobicContact CD1-CB 4.02Å; L227-F232 HydrophobicContact CD1-CD2 4.33Å; L227-F232 HydrophobicContact CD1-CG 4.43Å; G228-F232 PolarHBondContact O-N 2.84Å; P229-F232 CarbonylContact O-C 3.56Å; F232-L234 HydrophobicContact CD1-CB 4.38Å; F232-L234 HydrophobicContact CE1-CB 4.39Å; F232-L234 HydrophobicContact CE1-CD1 4.27Å; F232-L234 PolarHBondContact O-N 3.01Å; F232-W344 AromaticContact CD2-CD1 3.88Å; F232-W344 HydrophobicContact CD2-CG 4.45Å; F232-W344 HydrophobicContact CE2-CB 4.46Å; F232-I372 HydrophobicContact CD1-CD1 4.12Å; F232-I372 HydrophobicContact CD2-CD1 3.71Å; F232-I372 HydrophobicContact CE1-CD1 4.01Å; F232-I372 HydrophobicContact CE2-CD1 3.59Å; F232-I372 HydrophobicContact CG-CD1 3.98Å; F232-I372 HydrophobicContact CZ-CD1 3.75Å; F232-I372 HydrophobicContact CZ-CG2 4.3Å
233	P	98.5	Very high	98.1	Very high	17 Å²	17	71 Å²	71	11%	0.11	34%	0.341	C	S	.	.			trans	-79.6	83.2	-174.2	32.9	-36.1	0	0	0	110.5	P229 W344 D370 I372	P229-P233 VanDerWaalsContact O-CA 3.32Å; P229-P233 WeakPolarHBondContact O-CA 3.42Å; P229-P233 WeakPolarHBondContact O-CB 3.32Å; P233-W344 HydrophobicContact CG-CH2 4.43Å; P233-W344 HydrophobicContact CG-CZ2 3.7Å; P233-D370 WeakPolarHBondContact CB-O 3.36Å; P233-D370 HydrophobicContact CG-CB 3.91Å; P233-I372 PolarHBondContact O-N 3.18Å
234	L	98.8	Very high	98.1	Very high	20 Å²	20	76.5 Å²	76.5	11%	0.105	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-70.9	138.9	174	-169.2	64.3	0	0	0	110.4	F217 L220 I221 Y224 F232 I372	F217-L234 HydrophobicContact CD2-CD1 4.5Å; F217-L234 HydrophobicContact CE1-CD1 4.46Å; F217-L234 HydrophobicContact CE1-CD2 3.96Å; F217-L234 HydrophobicContact CE1-CG 4.29Å; F217-L234 HydrophobicContact CE2-CD1 3.72Å; F217-L234 HydrophobicContact CE2-CG 4.3Å; F217-L234 HydrophobicContact CZ-CD1 3.7Å; F217-L234 HydrophobicContact CZ-CD2 3.94Å; F217-L234 HydrophobicContact CZ-CG 3.74Å; L220-L234 HydrophobicContact CB-CD1 3.67Å; L220-L234 HydrophobicContact CB-CD2 4.14Å; L220-L234 HydrophobicContact CD1-CD1 4.11Å; I221-L234 HydrophobicContact CB-CD2 4.32Å; I221-L234 HydrophobicContact CG1-CD2 3.67Å; Y224-L234 HydrophobicContact CD2-CB 3.59Å; Y224-L234 HydrophobicContact CE2-CB 4.37Å; Y224-L234 HydrophobicContact CG-CB 4.09Å; Y224-L234 HydrophobicContact CG-CD2 4.47Å; F232-L234 HydrophobicContact CD1-CB 4.38Å; F232-L234 HydrophobicContact CE1-CB 4.39Å; F232-L234 HydrophobicContact CE1-CD1 4.27Å; F232-L234 PolarHBondContact O-N 3.01Å; L234-I372 HydrophobicContact CD1-CB 4.3Å; L234-I372 HydrophobicContact CD1-CG2 4.17Å
235	I	98.6	Very high	98.1	Very high	4 Å²	4	77.1 Å²	77.1	2%	0.021	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.8	171.9	-160.2	166.4	0	0	0	110.6	F217 Q237 E293 I296 Y371 I372 T373	F217-I235 HydrophobicContact CE2-CG2 4.07Å; F217-I235 HydrophobicContact CZ-CG2 3.97Å; I235-Q237 PolarHBondContact O-N 2.98Å; I235-E293 HydrophobicContact CD1-CB 3.99Å; I235-E293 HydrophobicContact CD1-CG 4.02Å; I235-E293 HydrophobicContact CG1-CB 4.28Å; I235-E293 HydrophobicContact CG2-CB 4.45Å; I235-I296 HydrophobicContact CD1-CD1 4.19Å; I235-I296 HydrophobicContact CD1-CG1 3.89Å; I235-Y371 HydrophobicContact CG1-CD1 4.13Å; I235-I372 WeakPolarHBondContact CB-O 3.44Å; I235-I372 VanDerWaalsContact CG2-O 3.32Å; I235-I372 WeakPolarHBondContact CG2-O 3.46Å; I235-I372 PolarHBondContact N-O 3.34Å; I235-T373 HydrophobicContact CB-CG2 4.26Å; I235-T373 HydrophobicContact CD1-CG2 3.91Å; I235-T373 HydrophobicContact CG2-CG2 4.1Å
236	E	97.5	Very high	98	Very high	156 Å²	156	68.9 Å²	68.9	73%	0.729	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-64.8	128	168	-64.3	-172.6	151.5	0	0	109.5	E293 P294	E236-E293 WeakPolarHBondContact O-CA 3.46Å; E236-E293 VanDerWaalsContact O-CB 3.23Å; E236-E293 WeakPolarHBondContact O-CB 3.16Å; E236-P294 HydrophobicContact CB-CG 4.45Å; E236-P294 WeakPolarHBondContact O-CD 3.25Å
237	Q	98.2	Very high	97.8	Very high	41 Å²	41	67.4 Å²	67.4	19%	0.192	34%	0.342	C	S	.	.			trans	-144.2	128	-179.5	-167.7	179.7	114.2	0	0	111	F217 I235 T291 T292 E293	F217-Q237 HydrophobicContact CE1-CB 3.66Å; F217-Q237 HydrophobicContact CE1-CG 4.38Å; F217-Q237 HydrophobicContact CE2-CB 4.48Å; F217-Q237 HydrophobicContact CZ-CB 3.63Å; F217-Q237 HydrophobicContact CZ-CG 4.39Å; I235-Q237 PolarHBondContact O-N 2.98Å; Q237-T291 HydrophobicContact CG-CG2 4.47Å; Q237-T291 PolarHBondContact OE1-OG1 2.72Å; Q237-T292 CarbonylContact C-O 3.52Å; Q237-T292 WeakPolarHBondContact CA-O 3.49Å; Q237-T292 VanDerWaalsContact CG-O 3.32Å; Q237-T292 WeakPolarHBondContact CG-O 3.47Å; Q237-E293 HydrophobicContact CB-CB 4.36Å; Q237-E293 HydrophobicContact CG-CB 4.27Å; Q237-E293 PolarHBondContact NE2-OE2 3.26Å
238	T	98.4	Very high	97.4	Very high	64 Å²	64	69 Å²	69	39%	0.393	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.5	174.1	-56.6	0	0	0	0	109.6	Y240 T291 T292	T238-Y240 HydrophobicContact CG2-CD2 4.36Å; T238-Y240 HydrophobicContact CG2-CE1 4.01Å; T238-Y240 HydrophobicContact CG2-CE2 3.71Å; T238-T291 CarbonylContact O-C 3.56Å; T238-T291 WeakPolarHBondContact O-CA 3.43Å; T238-T291 VanDerWaalsContact O-CB 3.28Å; T238-T291 WeakPolarHBondContact O-CB 3.29Å; T238-T292 PolarHBondContact N-O 2.81Å; T238-T292 PolarHBondContact O-N 2.88Å
239	F	98.6	Very high	97	Very high	105 Å²	105	72.9 Å²	72.9	46%	0.461	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.5	174.3	170.6	-97.9	0	0	0	111.2	P214 P241 Y289 T291	P214-F239 HydrophobicContact CB-CD2 3.63Å; P214-F239 HydrophobicContact CB-CE2 3.75Å; P214-F239 HydrophobicContact CG-CD2 3.82Å; P214-F239 HydrophobicContact CG-CE2 3.8Å; F239-P241 HydrophobicContact CD1-CG 4.33Å; F239-P241 HydrophobicContact CE1-CB 4.18Å; F239-P241 HydrophobicContact CE1-CG 3.81Å; F239-Y289 HydrophobicContact CE2-CD1 4.41Å; F239-Y289 HydrophobicContact CE2-CD2 4.13Å; F239-Y289 AromaticContact CE2-CG 3.8Å; F239-Y289 HydrophobicContact CE2-CG 3.8Å; F239-Y289 HydrophobicContact CZ-CG 4.41Å; F239-T291 HydrophobicContact CB-CG2 4.23Å; F239-T291 HydrophobicContact CD2-CG2 3.86Å
240	Y	98.6	Very high	96.9	Very high	4 Å²	4	70.6 Å²	70.6	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.4	175.9	-54.5	-89.8	0	0	0	108.2	T238 N242 E245 M246 S248 Y289 T290 T292	T238-Y240 HydrophobicContact CG2-CD2 4.36Å; T238-Y240 HydrophobicContact CG2-CE1 4.01Å; T238-Y240 HydrophobicContact CG2-CE2 3.71Å; Y240-N242 PolarHBondContact O-N 2.75Å; Y240-N242 VanDerWaalsContact O-N 3.15Å; Y240-E245 VanDerWaalsContact CD1-C 3.48Å; Y240-E245 HydrophobicContact CD1-CB 3.94Å; Y240-E245 WeakPolarHBondContact CD1-O 3.49Å; Y240-E245 WeakPolarHBondContact CE1-O 3.33Å; Y240-M246 HydrophobicContact CD1-CB 4.36Å; Y240-M246 HydrophobicContact CD1-CG 3.73Å; Y240-M246 HydrophobicContact CD2-CG 4.26Å; Y240-M246 HydrophobicContact CE1-CB 4.48Å; Y240-M246 HydrophobicContact CE1-CG 4.18Å; Y240-M246 HydrophobicContact CG-CG 3.74Å; Y240-S248 WeakPolarHBondContact CE1-O 3.39Å; Y240-S248 PolarHBondContact OH-O 2.86Å; Y240-Y289 VanDerWaalsContact O-CA 3.3Å; Y240-Y289 WeakPolarHBondContact O-CA 3.47Å; Y240-Y289 WeakPolarHBondContact O-CB 3.28Å; Y240-T290 PolarHBondContact N-O 3.3Å; Y240-T290 PolarHBondContact O-N 3.01Å; Y240-T292 HydrophobicContact CE2-CG2 3.66Å; Y240-T292 WeakPolarHBondContact CE2-OG1 3.38Å; Y240-T292 PolarHBondContact OH-OG1 2.81Å
241	P	98.3	Very high	96.8	Very high	72 Å²	72	67.9 Å²	67.9	47%	0.468	35%	0.354	S	S	.	.	S	Bend	trans	-59.1	-27.1	179.3	-23	31.3	0	0	0	113.6	F239 Y289	F239-P241 HydrophobicContact CD1-CG 4.33Å; F239-P241 HydrophobicContact CE1-CB 4.18Å; F239-P241 HydrophobicContact CE1-CG 3.81Å; P241-Y289 WeakPolarHBondContact O-CA 3.38Å
242	N	97.5	Very high	96.8	Very high	50 Å²	50	65.2 Å²	65.2	27%	0.267	34%	0.343	S	S	.	.	S	Bend	trans	-165.5	176.1	173.5	63.3	89.3	0	0	0	108.9	Y240 K244 E245	Y240-N242 PolarHBondContact O-N 2.75Å; Y240-N242 VanDerWaalsContact O-N 3.15Å; N242-K244 PolarHBondContact O-N 2.8Å; N242-K244 VanDerWaalsContact O-N 3.08Å; N242-K244 VanDerWaalsContact OD1-CB 3.26Å; N242-K244 WeakPolarHBondContact OD1-CB 3.41Å; N242-K244 WeakPolarHBondContact OD1-CD 3.33Å; N242-K244 WeakPolarHBondContact OD1-CG 3.45Å; N242-K244 PolarHBondContact OD1-N 2.92Å; N242-E245 PolarHBondContact O-N 3.04Å
243	Y	97.5	Very high	96.8	Very high	102 Å²	102	67.9 Å²	67.9	40%	0.4	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-55.1	-25.9	-176.9	76.2	-81.6	0	0	0	116	E245 M246 A280 A284	Y243-E245 VanDerWaalsContact C-N 3.27Å; Y243-E245 PolarHBondContact O-N 2.89Å; Y243-M246 VanDerWaalsContact O-CB 3.3Å; Y243-M246 WeakPolarHBondContact O-CB 3.24Å; Y243-M246 PolarHBondContact O-N 2.81Å; Y243-A280 WeakPolarHBondContact CB-O 3.31Å; Y243-A284 HydrophobicContact CD1-CB 3.6Å; Y243-A284 HydrophobicContact CD2-CB 3.74Å; Y243-A284 HydrophobicContact CE1-CB 3.91Å; Y243-A284 HydrophobicContact CE2-CB 4.04Å; Y243-A284 HydrophobicContact CG-CB 3.51Å
244	K	97.8	Very high	96.7	Very high	126 Å²	126	67.2 Å²	67.2	55%	0.548	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-63.1	-34.9	-174.6	-63.4	173.6	-172.7	179.3	0	112.5	N242 M246	N242-K244 PolarHBondContact O-N 2.8Å; N242-K244 VanDerWaalsContact O-N 3.08Å; N242-K244 VanDerWaalsContact OD1-CB 3.26Å; N242-K244 WeakPolarHBondContact OD1-CB 3.41Å; N242-K244 WeakPolarHBondContact OD1-CD 3.33Å; N242-K244 WeakPolarHBondContact OD1-CG 3.45Å; N242-K244 PolarHBondContact OD1-N 2.92Å; K244-M246 PolarHBondContact O-N 2.84Å
245	E	97.8	Very high	96.7	Very high	101 Å²	101	66.7 Å²	66.7	47%	0.472	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-77.4	-8.8	178.9	-56.4	-48.5	133.3	0	0	112.9	Y240 N242 Y243 V247 S248	Y240-E245 VanDerWaalsContact CD1-C 3.48Å; Y240-E245 HydrophobicContact CD1-CB 3.94Å; Y240-E245 WeakPolarHBondContact CD1-O 3.49Å; Y240-E245 WeakPolarHBondContact CE1-O 3.33Å; N242-E245 PolarHBondContact O-N 3.04Å; Y243-E245 VanDerWaalsContact C-N 3.27Å; Y243-E245 PolarHBondContact O-N 2.89Å; E245-V247 PolarHBondContact O-N 2.83Å; E245-S248 WeakPolarHBondContact O-CB 3.48Å; E245-S248 PolarHBondContact O-N 3.02Å
246	M	96.7	Very high	96.7	Very high	11 Å²	11	66.5 Å²	66.5	5%	0.054	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-72.2	9.9	176.2	-59.3	179.3	68.4	0	0	113.2	Y240 Y243 K244 V256 F276 A280 V283 T290	Y240-M246 HydrophobicContact CD1-CB 4.36Å; Y240-M246 HydrophobicContact CD1-CG 3.73Å; Y240-M246 HydrophobicContact CD2-CG 4.26Å; Y240-M246 HydrophobicContact CE1-CB 4.48Å; Y240-M246 HydrophobicContact CE1-CG 4.18Å; Y240-M246 HydrophobicContact CG-CG 3.74Å; Y243-M246 VanDerWaalsContact O-CB 3.3Å; Y243-M246 WeakPolarHBondContact O-CB 3.24Å; Y243-M246 PolarHBondContact O-N 2.81Å; K244-M246 PolarHBondContact O-N 2.84Å; M246-V256 HydrophobicContact CE-CG1 4.5Å; M246-F276 HydrophobicContact CB-CE1 4.14Å; M246-F276 HydrophobicContact CB-CZ 4.19Å; M246-F276 HydrophobicContact CE-CD2 4.28Å; M246-F276 HydrophobicContact CE-CE1 4.4Å; M246-F276 HydrophobicContact CE-CE2 3.53Å; M246-F276 HydrophobicContact CE-CZ 3.62Å; M246-F276 HydrophobicContact CG-CZ 4.46Å; M246-F276 VanDerWaalsContact O-CE1 3.28Å; M246-F276 WeakPolarHBondContact O-CE1 3.35Å; M246-A280 HydrophobicContact CB-CB 3.86Å; M246-A280 HydrophobicContact CE-CB 3.99Å; M246-A280 HydrophobicContact SD-CB 3.94Å; M246-V283 HydrophobicContact CE-CG2 4.31Å; M246-V283 HydrophobicContact SD-CB 4.06Å; M246-V283 HydrophobicContact SD-CG1 4.12Å; M246-V283 HydrophobicContact SD-CG2 3.93Å; M246-T290 HydrophobicContact CE-CG2 4.17Å; M246-T290 HydrophobicContact SD-CG2 4.24Å
247	V	93.4	Very high	96.8	Very high	117 Å²	117	60.3 Å²	60.3	71%	0.709	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.9	156.6	-63.4	0	0	0	0	112.2	E245 M249	E245-V247 PolarHBondContact O-N 2.83Å; V247-M249 PolarHBondContact O-N 2.85Å; V247-M249 VanDerWaalsContact O-N 3.15Å
248	S	91.3	Very high	96.8	Very high	74 Å²	74	59.5 Å²	59.5	52%	0.517	32%	0.32	S	S	.	.	S	Bend	trans	-77.8	97	174.8	-172	0	0	0	0	110.2	Y240 E245	Y240-S248 WeakPolarHBondContact CE1-O 3.39Å; Y240-S248 PolarHBondContact OH-O 2.86Å; E245-S248 WeakPolarHBondContact O-CB 3.48Å; E245-S248 PolarHBondContact O-N 3.02Å
249	M	89.4	Confident	96.7	Very high	106 Å²	106	56.9 Å²	56.9	52%	0.522	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-75.8	136	-174.4	-70.9	-177.6	-95.3	0	0	113.1	V247 H273	V247-M249 PolarHBondContact O-N 2.85Å; V247-M249 VanDerWaalsContact O-N 3.15Å; M249-H273 HydrophobicContact SD-CB 4.37Å; M249-H273 PolarHBondContact SD-CE1 2.86Å; M249-H273 PolarHBondContact SD-ND1 2.66Å
250	P	94.8	Very high	96.7	Very high	25 Å²	25	52.1 Å²	52.1	16%	0.162	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-84.6	168.8	166.9	37.2	-35.9	0	0	0	111.9	F252 V254 F276 T292	P250-F252 HydrophobicContact CG-CE1 4.25Å; P250-F252 HydrophobicContact CG-CZ 4.42Å; P250-F252 WeakPolarHBondContact O-CE2 3.48Å; P250-V254 HydrophobicContact CB-CG1 3.74Å; P250-V254 HydrophobicContact CG-CB 4.39Å; P250-V254 HydrophobicContact CG-CG1 3.6Å; P250-V254 HydrophobicContact CG-CG2 4.06Å; P250-F276 HydrophobicContact CG-CE2 4.41Å; P250-F276 HydrophobicContact CG-CZ 4.3Å; P250-T292 HydrophobicContact CG-CG2 4.42Å
251	S	95.4	Very high	96.6	Very high	110 Å²	110	52.5 Å²	52.5	77%	0.769	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-73.2	126	167.5	-57.6	0	0	0	0	110.9	V254	S251-V254 WeakPolarHBondContact O-CG1 3.43Å
252	F	97.4	Very high	96.5	Very high	64 Å²	64	50.5 Å²	50.5	28%	0.281	27%	0.273	S	S	.	.	S	Bend	trans	-86.6	152.9	-177.5	-62	-73.4	0	0	0	112.8	P250 V254 V270 D271 H273 F276	P250-F252 HydrophobicContact CG-CE1 4.25Å; P250-F252 HydrophobicContact CG-CZ 4.42Å; P250-F252 WeakPolarHBondContact O-CE2 3.48Å; F252-V254 HydrophobicContact CD1-CG2 4.06Å; F252-V254 HydrophobicContact CE1-CG2 4.08Å; F252-V270 HydrophobicContact CD1-CG1 4.15Å; F252-V270 HydrophobicContact CE1-CG1 3.82Å; F252-D271 WeakPolarHBondContact CB-O 3.45Å; F252-H273 HydrophobicContact CE2-CB 4.31Å; F252-F276 HydrophobicContact CE1-CB 3.74Å; F252-F276 HydrophobicContact CE1-CD2 4.21Å; F252-F276 AromaticContact CE1-CG 3.97Å; F252-F276 HydrophobicContact CE1-CG 3.97Å; F252-F276 HydrophobicContact CZ-CB 3.65Å; F252-F276 HydrophobicContact CZ-CD1 4.22Å; F252-F276 AromaticContact CZ-CG 3.9Å; F252-F276 HydrophobicContact CZ-CG 3.9Å
253	P	97.5	Very high	96.2	Very high	57 Å²	57	53.3 Å²	53.3	37%	0.37	30%	0.297	S	S	.	.	S	Bend	cis	-78.9	149.5	-1.1	30.7	-34.1	0	0	0	113.9	V270 L295	P253-V270 WeakPolarHBondContact CA-O 3.3Å; P253-L295 HydrophobicContact CB-CB 4.11Å; P253-L295 HydrophobicContact CB-CD2 3.99Å; P253-L295 HydrophobicContact CG-CB 4.1Å; P253-L295 HydrophobicContact CG-CD2 4.02Å; P253-L295 WeakPolarHBondContact O-CB 3.43Å; P253-L295 PolarHBondContact O-N 3.02Å
254	V	98.1	Very high	95.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.2	178.1	-63.2	0	0	0	0	113.6	P250 S251 F252 V256 V270 T292 E293	P250-V254 HydrophobicContact CB-CG1 3.74Å; P250-V254 HydrophobicContact CG-CB 4.39Å; P250-V254 HydrophobicContact CG-CG1 3.6Å; P250-V254 HydrophobicContact CG-CG2 4.06Å; S251-V254 WeakPolarHBondContact O-CG1 3.43Å; F252-V254 HydrophobicContact CD1-CG2 4.06Å; F252-V254 HydrophobicContact CE1-CG2 4.08Å; V254-V256 HydrophobicContact CG2-CG2 4.27Å; V254-V270 HydrophobicContact CG2-CB 4Å; V254-V270 HydrophobicContact CG2-CG1 4.49Å; V254-V270 PolarHBondContact N-O 2.86Å; V254-V270 PolarHBondContact O-N 3.45Å; V254-T292 HydrophobicContact CG2-CG2 4.5Å; V254-E293 CarbonylContact C-O 3.46Å; V254-E293 VanDerWaalsContact CA-O 3.29Å; V254-E293 WeakPolarHBondContact CA-O 3.32Å; V254-E293 WeakPolarHBondContact CB-O 3.28Å
255	V	98.3	Very high	95.8	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.3	160.6	179.7	0	0	0	0	108.6	K257 V268 T292 E293 L295 W323	V255-K257 HydrophobicContact CG1-CG 4.23Å; V255-V268 CarbonylContact C-O 3.57Å; V255-V268 WeakPolarHBondContact CA-O 3.48Å; V255-T292 WeakPolarHBondContact O-CA 3.42Å; V255-E293 HydrophobicContact CB-CG 4.09Å; V255-E293 PolarHBondContact N-O 3.08Å; V255-E293 PolarHBondContact O-N 2.54Å; V255-E293 VanDerWaalsContact O-N 3.08Å; V255-L295 HydrophobicContact CG2-CB 4.31Å; V255-L295 HydrophobicContact CG2-CD1 3.59Å; V255-W323 HydrophobicContact CB-CZ3 4.31Å; V255-W323 HydrophobicContact CG1-CH2 3.83Å; V255-W323 HydrophobicContact CG1-CZ3 3.79Å; V255-W323 HydrophobicContact CG2-CE3 4.11Å; V255-W323 HydrophobicContact CG2-CH2 4.12Å; V255-W323 HydrophobicContact CG2-CZ3 3.52Å
256	V	98.4	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	167.4	-171.5	0	0	0	0	108.6	M246 V254 I258 K267 V268 V270 F276 I279 T290 T291 T292	M246-V256 HydrophobicContact CE-CG1 4.5Å; V254-V256 HydrophobicContact CG2-CG2 4.27Å; V256-I258 HydrophobicContact CG1-CG1 4.15Å; V256-K267 CarbonylContact O-C 3.52Å; V256-K267 VanDerWaalsContact O-CA 3.26Å; V256-K267 WeakPolarHBondContact O-CA 3.44Å; V256-V268 PolarHBondContact N-O 2.88Å; V256-V268 PolarHBondContact O-N 2.83Å; V256-V270 HydrophobicContact CG2-CB 4.18Å; V256-V270 HydrophobicContact CG2-CG2 3.55Å; V256-F276 HydrophobicContact CG2-CD2 4.24Å; V256-F276 HydrophobicContact CG2-CE2 4.14Å; V256-I279 HydrophobicContact CB-CG2 4.29Å; V256-I279 HydrophobicContact CG1-CG2 3.89Å; V256-I279 HydrophobicContact CG2-CG2 4.17Å; V256-T290 HydrophobicContact CG1-CG2 3.39Å; V256-T291 CarbonylContact C-O 3.47Å; V256-T291 WeakPolarHBondContact CA-O 3.39Å; V256-T292 HydrophobicContact CG2-CG2 4.18Å
257	K	98.4	Very high	95.7	Very high	26 Å²	26	46.2 Å²	46.2	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	106.7	175.3	-59.8	175.6	178.5	167.8	0	109.3	V255 K267 T290 T291 E293	V255-K257 HydrophobicContact CG1-CG 4.23Å; K257-K267 HydrophobicContact CG-CD 4.29Å; K257-K267 HydrophobicContact CG-CG 4.15Å; K257-T290 CarbonylContact O-C 3.58Å; K257-T290 VanDerWaalsContact O-CA 3.31Å; K257-T290 WeakPolarHBondContact O-CA 3.4Å; K257-T291 PolarHBondContact N-O 2.99Å; K257-T291 PolarHBondContact O-N 3.24Å; K257-E293 WeakPolarHBondContact CE-OE1 3.42Å; K257-E293 WeakPolarHBondContact CE-OE2 3.49Å; K257-E293 IonicContact NZ-OE1 2.86Å; K257-E293 PolarHBondContact NZ-OE1 3.18Å; K257-E293 IonicContact NZ-OE2 2.7Å; K257-E293 PolarHBondContact NZ-OE2 2.9Å
258	I	98.4	Very high	95.8	Very high	23 Å²	23	43 Å²	43	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124	-176.8	-50.4	178.5	0	0	0	110.1	V256 G266 I279 V283 T286 T288	V256-I258 HydrophobicContact CG1-CG1 4.15Å; I258-G266 PolarHBondContact N-O 3.45Å; I258-I279 HydrophobicContact CD1-CG2 4.44Å; I258-V283 HydrophobicContact CD1-CG2 3.74Å; I258-V283 HydrophobicContact CG1-CG2 3.81Å; I258-V283 HydrophobicContact CG2-CG2 4.17Å; I258-T286 HydrophobicContact CG2-CG2 4.08Å; I258-T288 HydrophobicContact CG2-CG2 4.29Å
259	G	97.9	Very high	96.1	Very high	10 Å²	10	43.5 Å²	43.5	10%	0.103	25%	0.252	C	S	.	.	S	Bend	trans	56.6	-151.6	174.4	0	0	0	0	0	115.5	Y289	G259-Y289 PolarHBondContact N-O 3.26Å; G259-Y289 WeakPolarHBondContact O-CE2 3.5Å
260	H	98.3	Very high	96.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	23%	0.228	C	C	.	.	S	Bend	trans	-104.5	114.1	172.5	-162.8	125.2	0	0	0	110.8	F178 M180 L210 C211 K213 H262	F178-H260 HydrophobicContact CD1-CB 3.85Å; F178-H260 AromaticContact CD1-CG 3.72Å; F178-H260 AromaticContact CD1-ND1 3.85Å; F178-H260 HydrophobicContact CE1-CB 3.6Å; M180-H260 WeakPolarHBondContact CB-O 3.12Å; M180-H260 HydrophobicContact CG-CB 4.29Å; M180-H260 WeakPolarHBondContact CG-O 3.45Å; M180-H260 PolarHBondContact N-O 2.74Å; L210-H260 PolarHBondContact O-CE1 3.02Å; C211-H260 VanDerWaalsContact C-CE1 3.44Å; C211-H260 PolarHBondContact O-CE1 2.83Å; C211-H260 VanDerWaalsContact O-CE1 3.31Å; C211-H260 PolarHBondContact O-ND1 2.78Å; K213-H260 WeakPolarHBondContact CE-NE2 3.38Å; H260-H262 AromaticContact CD2-CE1 3.65Å; H260-H262 AromaticContact CD2-NE2 3.53Å; H260-H262 AromaticContact NE2-CE1 3.02Å; H260-H262 PolarHBondContact NE2-CE1 3.4Å; H260-H262 AromaticContact NE2-NE2 3.23Å; H260-H262 PolarHBondContact NE2-NE2 3.03Å
261	A	96.9	Very high	96.7	Very high	12 Å²	12	40.3 Å²	40.3	10%	0.099	24%	0.236	C	C	.	.			trans	-150.7	164.1	169.9	0	0	0	0	0	112.9	K213 M265	K213-A261 WeakPolarHBondContact CE-O 3.26Å; K213-A261 PolarHBondContact NZ-O 3.45Å; A261-M265 HydrophobicContact CB-CB 4.03Å; A261-M265 HydrophobicContact CB-CG 4.44Å
262	H	94.6	Very high	96.7	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.139	22%	0.216	C	C	.	.	S	Bend	trans	-113.6	-179.2	-177.2	-55.3	-65.2	0	0	0	112.1	H176 F178 K213 H260 G264 M265	H176-H262 AromaticContact CD2-CD2 3.26Å; H176-H262 PolarHBondContact CD2-CD2 2.91Å; H176-H262 AromaticContact CD2-CG 3.27Å; H176-H262 AromaticContact CD2-ND1 3.83Å; H176-H262 AromaticContact CD2-NE2 3.74Å; H176-H262 AromaticContact CE1-ND1 3.95Å; H176-H262 AromaticContact CG-CD2 3.57Å; H176-H262 AromaticContact CG-CE1 3.85Å; H176-H262 AromaticContact CG-CG 3.87Å; H176-H262 AromaticContact CG-NE2 3.57Å; H176-H262 AromaticContact ND1-CE1 3.96Å; H176-H262 AromaticContact NE2-CD2 3.94Å; H176-H262 AromaticContact NE2-CG 3.46Å; H176-H262 AromaticContact NE2-ND1 3.71Å; F178-H262 PolarHBondContact O-NE2 2.81Å; K213-H262 PolarHBondContact NZ-ND1 2.84Å; H260-H262 AromaticContact CD2-CE1 3.65Å; H260-H262 AromaticContact CD2-NE2 3.53Å; H260-H262 AromaticContact NE2-CE1 3.02Å; H260-H262 PolarHBondContact NE2-CE1 3.4Å; H260-H262 AromaticContact NE2-NE2 3.23Å; H260-H262 PolarHBondContact NE2-NE2 3.03Å; H262-G264 PolarHBondContact O-N 2.83Å; H262-M265 WeakPolarHBondContact O-CB 3.43Å; H262-M265 PolarHBondContact O-N 3.24Å
263	S	91.7	Very high	96.7	Very high	109 Å²	109	39 Å²	39	76%	0.762	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	17.2	177.6	-58.7	0	0	0	0	116.9	N326	S263-N326 PolarHBondContact O-ND2 3.39Å
264	G	92.1	Very high	96.7	Very high	8 Å²	8	39.6 Å²	39.6	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	6.4	-177.6	0	0	0	0	0	114.9	H262 K324	H262-G264 PolarHBondContact O-N 2.83Å; G264-K324 PolarHBondContact O-NZ 3.19Å
265	M	94.7	Very high	96.7	Very high	112 Å²	112	43.9 Å²	43.9	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	152.9	167.6	-166	-177.2	-60.6	0	0	110.5	T181 A261 H262 K267	T181-M265 HydrophobicContact CG2-CE 3.75Å; T181-M265 HydrophobicContact CG2-SD 3.6Å; T181-M265 VanDerWaalsContact CG2-SD 3.6Å; A261-M265 HydrophobicContact CB-CB 4.03Å; A261-M265 HydrophobicContact CB-CG 4.44Å; H262-M265 WeakPolarHBondContact O-CB 3.43Å; H262-M265 PolarHBondContact O-N 3.24Å; M265-K267 PolarHBondContact O-N 3.02Å
266	G	94.9	Very high	96.7	Very high	26 Å²	26	43.5 Å²	43.5	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-6.2	-176	0	0	0	0	0	115.3	I258	I258-G266 PolarHBondContact N-O 3.45Å
267	K	97	Very high	96.6	Very high	45 Å²	45	48.7 Å²	48.7	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.1	179.9	-52.8	-166.5	-179	179.3	0	111.3	V256 K257 M265 W323 K324 E374	V256-K267 CarbonylContact O-C 3.52Å; V256-K267 VanDerWaalsContact O-CA 3.26Å; V256-K267 WeakPolarHBondContact O-CA 3.44Å; K257-K267 HydrophobicContact CG-CD 4.29Å; K257-K267 HydrophobicContact CG-CG 4.15Å; M265-K267 PolarHBondContact O-N 3.02Å; K267-W323 HydrophobicContact CB-CH2 4.29Å; K267-K324 WeakPolarHBondContact O-CE 3.46Å; K267-K324 PolarHBondContact O-NZ 3.38Å; K267-E374 IonicContact NZ-OE1 2.64Å
268	V	97.2	Very high	96.6	Very high	50 Å²	50	51.7 Å²	51.7	30%	0.303	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.3	-175.5	-173.7	0	0	0	0	110.6	V255 V256 V270 I279	V255-V268 CarbonylContact C-O 3.57Å; V255-V268 WeakPolarHBondContact CA-O 3.48Å; V256-V268 PolarHBondContact N-O 2.88Å; V256-V268 PolarHBondContact O-N 2.83Å; V268-V270 HydrophobicContact CG1-CG2 4.34Å; V268-I279 HydrophobicContact CG1-CD1 3.95Å; V268-I279 HydrophobicContact CG1-CG1 4.42Å; V268-I279 HydrophobicContact CG2-CD1 4.48Å
269	K	97.3	Very high	96.6	Very high	85 Å²	85	52 Å²	52	37%	0.37	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.3	171.1	165.9	174.2	170.7	165.3	0	109.5	D271 L295 W323	K269-D271 WeakPolarHBondContact CE-OD1 3.46Å; K269-D271 IonicContact NZ-OD1 3.65Å; K269-L295 HydrophobicContact CD-CD2 3.54Å; K269-L295 VanDerWaalsContact CE-CD2 3.48Å; K269-L295 HydrophobicContact CG-CD2 4.03Å; K269-W323 HydrophobicContact CB-CD2 4.34Å; K269-W323 HydrophobicContact CB-CH2 4.48Å; K269-W323 HydrophobicContact CB-CZ2 3.76Å
270	V	98.1	Very high	96.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.8	-179.1	174.6	0	0	0	0	110.1	F252 P253 V254 V256 V268 N272 K275 F276 I279	F252-V270 HydrophobicContact CD1-CG1 4.15Å; F252-V270 HydrophobicContact CE1-CG1 3.82Å; P253-V270 WeakPolarHBondContact CA-O 3.3Å; V254-V270 HydrophobicContact CG2-CB 4Å; V254-V270 HydrophobicContact CG2-CG1 4.49Å; V254-V270 PolarHBondContact N-O 2.86Å; V254-V270 PolarHBondContact O-N 3.45Å; V256-V270 HydrophobicContact CG2-CB 4.18Å; V256-V270 HydrophobicContact CG2-CG2 3.55Å; V268-V270 HydrophobicContact CG1-CG2 4.34Å; V270-N272 WeakPolarHBondContact CG1-O 3.17Å; V270-K275 HydrophobicContact CG1-CB 3.83Å; V270-F276 HydrophobicContact CG1-CB 3.85Å; V270-F276 HydrophobicContact CG1-CD2 4.23Å; V270-I279 HydrophobicContact CG2-CB 4.49Å; V270-I279 HydrophobicContact CG2-CG1 3.94Å
271	D	97.4	Very high	96.5	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	31%	0.309	S	S	.	.			trans	-94.4	-16.5	-171.2	-47.4	-72	0	0	0	114.6	F252 K269 K275	F252-D271 WeakPolarHBondContact CB-O 3.45Å; K269-D271 WeakPolarHBondContact CE-OD1 3.46Å; K269-D271 IonicContact NZ-OD1 3.65Å; D271-K275 HydrophobicContact CB-CD 4.48Å; D271-K275 IonicContact OD2-NZ 2.68Å; D271-K275 PolarHBondContact OD2-NZ 2.94Å
272	N	97.3	Very high	96.5	Very high	67 Å²	67	58 Å²	58	36%	0.358	32%	0.323	S	S	.	.	S	Bend	trans	-161.5	172.1	-173.1	64.7	52.3	0	0	0	113.1	V270 S274 K275 F276	V270-N272 WeakPolarHBondContact CG1-O 3.17Å; N272-S274 PolarHBondContact O-N 3.27Å; N272-S274 PolarHBondContact OD1-N 2.89Å; N272-K275 PolarHBondContact O-N 3.48Å; N272-K275 PolarHBondContact OD1-N 3.44Å; N272-F276 PolarHBondContact O-N 3.21Å; N272-F276 VanDerWaalsContact O-N 3.1Å
273	H	96.8	Very high	96.7	Very high	80 Å²	80	56.6 Å²	56.6	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-55.4	-47	-179.4	177.2	49	0	0	0	114.5	M249 F252 K275 F276 Q277	M249-H273 HydrophobicContact SD-CB 4.37Å; M249-H273 PolarHBondContact SD-CE1 2.86Å; M249-H273 PolarHBondContact SD-ND1 2.66Å; F252-H273 HydrophobicContact CE2-CB 4.31Å; H273-K275 PolarHBondContact O-N 3.04Å; H273-F276 WeakPolarHBondContact O-CA 3.3Å; H273-F276 WeakPolarHBondContact O-CB 3.38Å; H273-F276 PolarHBondContact O-N 2.89Å; H273-Q277 VanDerWaalsContact CE1-CD 3.44Å; H273-Q277 PolarHBondContact CE1-NE2 3.36Å; H273-Q277 PolarHBondContact NE2-NE2 2.87Å; H273-Q277 PolarHBondContact O-N 3.02Å
274	S	97.1	Very high	97	Very high	69 Å²	69	52.9 Å²	52.9	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-52.2	-178.9	-170.4	0	0	0	0	110.6	N272 F276 Q277 D278	N272-S274 PolarHBondContact O-N 3.27Å; N272-S274 PolarHBondContact OD1-N 2.89Å; S274-F276 PolarHBondContact O-N 2.86Å; S274-F276 VanDerWaalsContact O-N 3.15Å; S274-Q277 PolarHBondContact O-N 2.86Å; S274-Q277 VanDerWaalsContact O-N 3.08Å; S274-D278 VanDerWaalsContact O-CG 3.26Å; S274-D278 PolarHBondContact O-N 2.83Å; S274-D278 VanDerWaalsContact O-OD2 3.12Å
275	K	97.5	Very high	97.3	Very high	93 Å²	93	59.3 Å²	59.3	40%	0.404	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-28	176.2	-68.7	-174.5	-178.7	-170.7	0	112.7	V270 D271 N272 H273 D278 I279	V270-K275 HydrophobicContact CG1-CB 3.83Å; D271-K275 HydrophobicContact CB-CD 4.48Å; D271-K275 IonicContact OD2-NZ 2.68Å; D271-K275 PolarHBondContact OD2-NZ 2.94Å; N272-K275 PolarHBondContact O-N 3.48Å; N272-K275 PolarHBondContact OD1-N 3.44Å; H273-K275 PolarHBondContact O-N 3.04Å; K275-D278 WeakPolarHBondContact CA-OD2 3.3Å; K275-I279 WeakPolarHBondContact O-CB 3.44Å; K275-I279 VanDerWaalsContact O-CG1 3.24Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 2.81Å; K275-I279 VanDerWaalsContact O-N 3.07Å
276	F	98.2	Very high	97.4	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-73.7	-39.9	176.6	-167.2	-118.4	0	0	0	112.3	M246 P250 F252 V256 V270 N272 H273 S274 I279 A280 T292	M246-F276 HydrophobicContact CB-CE1 4.14Å; M246-F276 HydrophobicContact CB-CZ 4.19Å; M246-F276 HydrophobicContact CE-CD2 4.28Å; M246-F276 HydrophobicContact CE-CE1 4.4Å; M246-F276 HydrophobicContact CE-CE2 3.53Å; M246-F276 HydrophobicContact CE-CZ 3.62Å; M246-F276 HydrophobicContact CG-CZ 4.46Å; M246-F276 VanDerWaalsContact O-CE1 3.28Å; M246-F276 WeakPolarHBondContact O-CE1 3.35Å; P250-F276 HydrophobicContact CG-CE2 4.41Å; P250-F276 HydrophobicContact CG-CZ 4.3Å; F252-F276 HydrophobicContact CE1-CB 3.74Å; F252-F276 HydrophobicContact CE1-CD2 4.21Å; F252-F276 AromaticContact CE1-CG 3.97Å; F252-F276 HydrophobicContact CE1-CG 3.97Å; F252-F276 HydrophobicContact CZ-CB 3.65Å; F252-F276 HydrophobicContact CZ-CD1 4.22Å; F252-F276 AromaticContact CZ-CG 3.9Å; F252-F276 HydrophobicContact CZ-CG 3.9Å; V256-F276 HydrophobicContact CG2-CD2 4.24Å; V256-F276 HydrophobicContact CG2-CE2 4.14Å; V270-F276 HydrophobicContact CG1-CB 3.85Å; V270-F276 HydrophobicContact CG1-CD2 4.23Å; N272-F276 PolarHBondContact O-N 3.21Å; N272-F276 VanDerWaalsContact O-N 3.1Å; H273-F276 WeakPolarHBondContact O-CA 3.3Å; H273-F276 WeakPolarHBondContact O-CB 3.38Å; H273-F276 PolarHBondContact O-N 2.89Å; S274-F276 PolarHBondContact O-N 2.86Å; S274-F276 VanDerWaalsContact O-N 3.15Å; F276-I279 PolarHBondContact O-N 2.99Å; F276-A280 WeakPolarHBondContact O-CB 3.36Å; F276-A280 PolarHBondContact O-N 2.99Å; F276-T292 HydrophobicContact CE2-CG2 3.6Å; F276-T292 HydrophobicContact CZ-CG2 3.98Å
277	Q	97.3	Very high	97.4	Very high	110 Å²	110	64 Å²	64	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-42.4	172.5	-68.7	179.8	-39.2	0	0	111.5	H273 S274 I279 A280 S281	H273-Q277 VanDerWaalsContact CE1-CD 3.44Å; H273-Q277 PolarHBondContact CE1-NE2 3.36Å; H273-Q277 PolarHBondContact NE2-NE2 2.87Å; H273-Q277 PolarHBondContact O-N 3.02Å; S274-Q277 PolarHBondContact O-N 2.86Å; S274-Q277 VanDerWaalsContact O-N 3.08Å; Q277-I279 VanDerWaalsContact C-N 3.34Å; Q277-I279 PolarHBondContact O-N 2.88Å; Q277-A280 PolarHBondContact O-N 3.32Å; Q277-S281 PolarHBondContact O-N 3.47Å
278	D	97.8	Very high	97.5	Very high	89 Å²	89	62.9 Å²	62.9	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-55.7	-49.3	173.5	-61.3	-38.7	0	0	0	110.7	S274 K275 S281 V282	S274-D278 VanDerWaalsContact O-CG 3.26Å; S274-D278 PolarHBondContact O-N 2.83Å; S274-D278 VanDerWaalsContact O-OD2 3.12Å; K275-D278 WeakPolarHBondContact CA-OD2 3.3Å; D278-S281 WeakPolarHBondContact O-CB 3.3Å; D278-S281 PolarHBondContact O-N 3.41Å; D278-S281 PolarHBondContact O-OG 2.89Å; D278-V282 PolarHBondContact O-N 3.44Å
279	I	97.9	Very high	97.5	Very high	28 Å²	28	62.1 Å²	62.1	14%	0.144	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-34.3	178.4	-68.6	-66.6	0	0	0	112.5	V256 I258 V268 V270 K275 F276 Q277 S281 V282 V283	V256-I279 HydrophobicContact CB-CG2 4.29Å; V256-I279 HydrophobicContact CG1-CG2 3.89Å; V256-I279 HydrophobicContact CG2-CG2 4.17Å; I258-I279 HydrophobicContact CD1-CG2 4.44Å; V268-I279 HydrophobicContact CG1-CD1 3.95Å; V268-I279 HydrophobicContact CG1-CG1 4.42Å; V268-I279 HydrophobicContact CG2-CD1 4.48Å; V270-I279 HydrophobicContact CG2-CB 4.49Å; V270-I279 HydrophobicContact CG2-CG1 3.94Å; K275-I279 WeakPolarHBondContact O-CB 3.44Å; K275-I279 VanDerWaalsContact O-CG1 3.24Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 2.81Å; K275-I279 VanDerWaalsContact O-N 3.07Å; F276-I279 PolarHBondContact O-N 2.99Å; Q277-I279 VanDerWaalsContact C-N 3.34Å; Q277-I279 PolarHBondContact O-N 2.88Å; I279-S281 VanDerWaalsContact C-N 3.26Å; I279-S281 PolarHBondContact O-N 3.35Å; I279-V282 WeakPolarHBondContact O-CB 3.45Å; I279-V282 PolarHBondContact O-N 3.42Å; I279-V282 VanDerWaalsContact O-N 3.08Å; I279-V283 HydrophobicContact CG2-CG2 4.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.19Å; I279-V283 PolarHBondContact O-N 2.87Å
280	A	97.7	Very high	97.6	Very high	13 Å²	13	58 Å²	58	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-36.1	172.2	0	0	0	0	0	111.8	Y243 M246 F276 Q277 V282 V283 A284	Y243-A280 WeakPolarHBondContact CB-O 3.31Å; M246-A280 HydrophobicContact CB-CB 3.86Å; M246-A280 HydrophobicContact CE-CB 3.99Å; M246-A280 HydrophobicContact SD-CB 3.94Å; F276-A280 WeakPolarHBondContact O-CB 3.36Å; F276-A280 PolarHBondContact O-N 2.99Å; Q277-A280 PolarHBondContact O-N 3.32Å; A280-V282 VanDerWaalsContact C-N 3.34Å; A280-V282 PolarHBondContact O-N 2.94Å; A280-V283 PolarHBondContact O-N 2.81Å; A280-A284 PolarHBondContact O-N 3.46Å
281	S	97.2	Very high	97.6	Very high	74 Å²	74	58.3 Å²	58.3	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-35.2	172.9	84.9	0	0	0	0	112.6	Q277 D278 I279 A284	Q277-S281 PolarHBondContact O-N 3.47Å; D278-S281 WeakPolarHBondContact O-CB 3.3Å; D278-S281 PolarHBondContact O-N 3.41Å; D278-S281 PolarHBondContact O-OG 2.89Å; I279-S281 VanDerWaalsContact C-N 3.26Å; I279-S281 PolarHBondContact O-N 3.35Å; S281-A284 WeakPolarHBondContact O-CB 3.36Å; S281-A284 PolarHBondContact O-N 3.23Å
282	V	97.9	Very high	97.7	Very high	65 Å²	65	55.5 Å²	55.5	39%	0.394	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-42.1	172.8	178.3	0	0	0	0	111.1	D278 I279 A280 A284 L285 T286	D278-V282 PolarHBondContact O-N 3.44Å; I279-V282 WeakPolarHBondContact O-CB 3.45Å; I279-V282 PolarHBondContact O-N 3.42Å; I279-V282 VanDerWaalsContact O-N 3.08Å; A280-V282 VanDerWaalsContact C-N 3.34Å; A280-V282 PolarHBondContact O-N 2.94Å; V282-A284 PolarHBondContact O-N 2.89Å; V282-L285 WeakPolarHBondContact O-CB 3.22Å; V282-L285 PolarHBondContact O-N 2.82Å; V282-L285 VanDerWaalsContact O-N 3.11Å; V282-T286 PolarHBondContact O-N 3.23Å
283	V	97.8	Very high	97.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-37.1	175	175.3	0	0	0	0	111.2	M246 I258 I279 A280 L285 T286 Q287 T290	M246-V283 HydrophobicContact CE-CG2 4.31Å; M246-V283 HydrophobicContact SD-CB 4.06Å; M246-V283 HydrophobicContact SD-CG1 4.12Å; M246-V283 HydrophobicContact SD-CG2 3.93Å; I258-V283 HydrophobicContact CD1-CG2 3.74Å; I258-V283 HydrophobicContact CG1-CG2 3.81Å; I258-V283 HydrophobicContact CG2-CG2 4.17Å; I279-V283 HydrophobicContact CG2-CG2 4.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.19Å; I279-V283 PolarHBondContact O-N 2.87Å; A280-V283 PolarHBondContact O-N 2.81Å; V283-L285 PolarHBondContact O-N 3.28Å; V283-T286 PolarHBondContact O-N 2.68Å; V283-T286 PolarHBondContact O-OG1 3Å; V283-Q287 PolarHBondContact O-N 2.94Å; V283-T290 WeakPolarHBondContact CG1-OG1 3.48Å; V283-T290 HydrophobicContact CG2-CG2 4.26Å; V283-T290 WeakPolarHBondContact CG2-OG1 3.4Å
284	A	97.8	Very high	97.8	Very high	31 Å²	31	51.2 Å²	51.2	26%	0.256	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-35.8	176.4	0	0	0	0	0	113.1	Y243 A280 S281 V282 T286	Y243-A284 HydrophobicContact CD1-CB 3.6Å; Y243-A284 HydrophobicContact CD2-CB 3.74Å; Y243-A284 HydrophobicContact CE1-CB 3.91Å; Y243-A284 HydrophobicContact CE2-CB 4.04Å; Y243-A284 HydrophobicContact CG-CB 3.51Å; A280-A284 PolarHBondContact O-N 3.46Å; S281-A284 WeakPolarHBondContact O-CB 3.36Å; S281-A284 PolarHBondContact O-N 3.23Å; V282-A284 PolarHBondContact O-N 2.89Å; A284-T286 VanDerWaalsContact C-N 3.33Å
285	L	97.8	Very high	97.8	Very high	144 Å²	144	49.7 Å²	49.7	75%	0.754	27%	0.268	S	S	*	.	H	α-helix	trans	-70.1	-28.5	175.8	-57.3	177.7	0	0	0	112.8	V282 V283	V282-L285 WeakPolarHBondContact O-CB 3.22Å; V282-L285 PolarHBondContact O-N 2.82Å; V282-L285 VanDerWaalsContact O-N 3.11Å; V283-L285 PolarHBondContact O-N 3.28Å
286	T	96.8	Very high	97.7	Very high	53 Å²	53	46.5 Å²	46.5	33%	0.325	26%	0.255	S	S	.	.	H	α-helix	trans	-81.8	-10	-177.8	65	0	0	0	0	114.6	I258 V282 V283 A284 T288	I258-T286 HydrophobicContact CG2-CG2 4.08Å; V282-T286 PolarHBondContact O-N 3.23Å; V283-T286 PolarHBondContact O-N 2.68Å; V283-T286 PolarHBondContact O-OG1 3Å; A284-T286 VanDerWaalsContact C-N 3.33Å; T286-T288 PolarHBondContact O-N 3.32Å; T286-T288 VanDerWaalsContact O-N 3.09Å; T286-T288 WeakPolarHBondContact OG1-CG2 3.5Å
287	Q	96.3	Very high	97.6	Very high	183 Å²	183	51.3 Å²	51.3	86%	0.855	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.7	176.7	-55	-170.9	15.2	0	0	114.9	V283	V283-Q287 PolarHBondContact O-N 2.94Å
288	T	97.9	Very high	97.4	Very high	22 Å²	22	47.6 Å²	47.6	14%	0.135	27%	0.267	C	S	.	.	S	Bend	trans	-137.2	178.8	-175.2	-169.1	0	0	0	0	111.8	M180 I258 T286	M180-T288 HydrophobicContact CE-CG2 3.59Å; M180-T288 HydrophobicContact SD-CG2 3.77Å; I258-T288 HydrophobicContact CG2-CG2 4.29Å; T286-T288 PolarHBondContact O-N 3.32Å; T286-T288 VanDerWaalsContact O-N 3.09Å; T286-T288 WeakPolarHBondContact OG1-CG2 3.5Å
289	Y	98.4	Very high	97.3	Very high	33 Å²	33	49.2 Å²	49.2	13%	0.129	27%	0.27	C	S	.	.			trans	-72.6	169.4	174.9	59.8	-108.1	0	0	0	112.7	D212 P214 F239 Y240 P241 G259	D212-Y289 WeakPolarHBondContact OD1-CE1 3.25Å; D212-Y289 VanDerWaalsContact OD1-CZ 3.28Å; D212-Y289 PolarHBondContact OD1-OH 3.01Å; P214-Y289 VanDerWaalsContact CD-CE2 3.48Å; P214-Y289 WeakPolarHBondContact CD-OH 3.39Å; P214-Y289 HydrophobicContact CG-CD2 3.74Å; P214-Y289 HydrophobicContact CG-CE2 3.44Å; P214-Y289 VanDerWaalsContact CG-CE2 3.44Å; P214-Y289 HydrophobicContact CG-CG 4.49Å; F239-Y289 HydrophobicContact CE2-CD1 4.41Å; F239-Y289 HydrophobicContact CE2-CD2 4.13Å; F239-Y289 AromaticContact CE2-CG 3.8Å; F239-Y289 HydrophobicContact CE2-CG 3.8Å; F239-Y289 HydrophobicContact CZ-CG 4.41Å; Y240-Y289 VanDerWaalsContact O-CA 3.3Å; Y240-Y289 WeakPolarHBondContact O-CA 3.47Å; Y240-Y289 WeakPolarHBondContact O-CB 3.28Å; P241-Y289 WeakPolarHBondContact O-CA 3.38Å; G259-Y289 PolarHBondContact N-O 3.26Å; G259-Y289 WeakPolarHBondContact O-CE2 3.5Å
290	T	98.4	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.8	173.7	-76.2	0	0	0	0	109.7	Y240 M246 V256 K257 V283	Y240-T290 PolarHBondContact N-O 3.3Å; Y240-T290 PolarHBondContact O-N 3.01Å; M246-T290 HydrophobicContact CE-CG2 4.17Å; M246-T290 HydrophobicContact SD-CG2 4.24Å; V256-T290 HydrophobicContact CG1-CG2 3.39Å; K257-T290 CarbonylContact O-C 3.58Å; K257-T290 VanDerWaalsContact O-CA 3.31Å; K257-T290 WeakPolarHBondContact O-CA 3.4Å; V283-T290 WeakPolarHBondContact CG1-OG1 3.48Å; V283-T290 HydrophobicContact CG2-CG2 4.26Å; V283-T290 WeakPolarHBondContact CG2-OG1 3.4Å
291	T	98.6	Very high	97	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	155	167.2	69	0	0	0	0	112.1	P214 Q237 T238 F239 V256 K257	P214-T291 HydrophobicContact CB-CG2 4.45Å; P214-T291 HydrophobicContact CG-CG2 3.96Å; Q237-T291 HydrophobicContact CG-CG2 4.47Å; Q237-T291 PolarHBondContact OE1-OG1 2.72Å; T238-T291 CarbonylContact O-C 3.56Å; T238-T291 WeakPolarHBondContact O-CA 3.43Å; T238-T291 VanDerWaalsContact O-CB 3.28Å; T238-T291 WeakPolarHBondContact O-CB 3.29Å; F239-T291 HydrophobicContact CB-CG2 4.23Å; F239-T291 HydrophobicContact CD2-CG2 3.86Å; V256-T291 CarbonylContact C-O 3.47Å; V256-T291 WeakPolarHBondContact CA-O 3.39Å; K257-T291 PolarHBondContact N-O 2.99Å; K257-T291 PolarHBondContact O-N 3.24Å
292	T	98.5	Very high	97	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.5	169.4	57.7	0	0	0	0	110.4	Q237 T238 Y240 P250 V254 V255 V256 F276	Q237-T292 CarbonylContact C-O 3.52Å; Q237-T292 WeakPolarHBondContact CA-O 3.49Å; Q237-T292 VanDerWaalsContact CG-O 3.32Å; Q237-T292 WeakPolarHBondContact CG-O 3.47Å; T238-T292 PolarHBondContact N-O 2.81Å; T238-T292 PolarHBondContact O-N 2.88Å; Y240-T292 HydrophobicContact CE2-CG2 3.66Å; Y240-T292 WeakPolarHBondContact CE2-OG1 3.38Å; Y240-T292 PolarHBondContact OH-OG1 2.81Å; P250-T292 HydrophobicContact CG-CG2 4.42Å; V254-T292 HydrophobicContact CG2-CG2 4.5Å; V255-T292 WeakPolarHBondContact O-CA 3.42Å; V256-T292 HydrophobicContact CG2-CG2 4.18Å; F276-T292 HydrophobicContact CE2-CG2 3.6Å; F276-T292 HydrophobicContact CZ-CG2 3.98Å
293	E	98.2	Very high	97	Very high	11 Å²	11	45 Å²	45	5%	0.051	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.2	170.7	62.8	-166.7	-165.3	0	0	110.2	I235 E236 Q237 V254 V255 K257 L295	I235-E293 HydrophobicContact CD1-CB 3.99Å; I235-E293 HydrophobicContact CD1-CG 4.02Å; I235-E293 HydrophobicContact CG1-CB 4.28Å; I235-E293 HydrophobicContact CG2-CB 4.45Å; E236-E293 WeakPolarHBondContact O-CA 3.46Å; E236-E293 VanDerWaalsContact O-CB 3.23Å; E236-E293 WeakPolarHBondContact O-CB 3.16Å; Q237-E293 HydrophobicContact CB-CB 4.36Å; Q237-E293 HydrophobicContact CG-CB 4.27Å; Q237-E293 PolarHBondContact NE2-OE2 3.26Å; V254-E293 CarbonylContact C-O 3.46Å; V254-E293 VanDerWaalsContact CA-O 3.29Å; V254-E293 WeakPolarHBondContact CA-O 3.32Å; V254-E293 WeakPolarHBondContact CB-O 3.28Å; V255-E293 HydrophobicContact CB-CG 4.09Å; V255-E293 PolarHBondContact N-O 3.08Å; V255-E293 PolarHBondContact O-N 2.54Å; V255-E293 VanDerWaalsContact O-N 3.08Å; K257-E293 WeakPolarHBondContact CE-OE1 3.42Å; K257-E293 WeakPolarHBondContact CE-OE2 3.49Å; K257-E293 IonicContact NZ-OE1 2.86Å; K257-E293 PolarHBondContact NZ-OE1 3.18Å; K257-E293 IonicContact NZ-OE2 2.7Å; K257-E293 PolarHBondContact NZ-OE2 2.9Å; E293-L295 PolarHBondContact O-N 3.32Å
294	P	98	Very high	97.1	Very high	47 Å²	47	45 Å²	45	31%	0.305	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	137.8	176.1	-25.6	35.1	0	0	0	112.1	E236 I296	E236-P294 HydrophobicContact CB-CG 4.45Å; E236-P294 WeakPolarHBondContact O-CD 3.25Å; P294-I296 HydrophobicContact CB-CD1 4.25Å; P294-I296 PolarHBondContact O-N 3.46Å
295	L	97.3	Very high	97.1	Very high	37 Å²	37	43.5 Å²	43.5	19%	0.194	22%	0.221	C	C	.	.			trans	-75.2	95.7	170.6	178.3	76	0	0	0	109.2	P253 V255 K269 E293 D297 W323	P253-L295 HydrophobicContact CB-CB 4.11Å; P253-L295 HydrophobicContact CB-CD2 3.99Å; P253-L295 HydrophobicContact CG-CB 4.1Å; P253-L295 HydrophobicContact CG-CD2 4.02Å; P253-L295 WeakPolarHBondContact O-CB 3.43Å; P253-L295 PolarHBondContact O-N 3.02Å; V255-L295 HydrophobicContact CG2-CB 4.31Å; V255-L295 HydrophobicContact CG2-CD1 3.59Å; K269-L295 HydrophobicContact CD-CD2 3.54Å; K269-L295 VanDerWaalsContact CE-CD2 3.48Å; K269-L295 HydrophobicContact CG-CD2 4.03Å; E293-L295 PolarHBondContact O-N 3.32Å; L295-D297 PolarHBondContact O-N 3.22Å; L295-W323 HydrophobicContact CD1-CB 4.49Å; L295-W323 HydrophobicContact CD1-CD2 4.29Å; L295-W323 HydrophobicContact CD1-CE3 3.94Å
296	I	96.9	Very high	97.2	Very high	25 Å²	25	38 Å²	38	13%	0.128	19%	0.191	C	C	.	.			trans	-64	130.5	174.2	-50.1	-53.4	0	0	0	110	I235 P294 S298 I363 Y371	I235-I296 HydrophobicContact CD1-CD1 4.19Å; I235-I296 HydrophobicContact CD1-CG1 3.89Å; P294-I296 HydrophobicContact CB-CD1 4.25Å; P294-I296 PolarHBondContact O-N 3.46Å; I296-S298 VanDerWaalsContact C-N 3.27Å; I296-S298 PolarHBondContact O-N 2.87Å; I296-I363 HydrophobicContact CB-CG2 4.05Å; I296-I363 HydrophobicContact CG2-CG2 3.78Å; I296-Y371 HydrophobicContact CD1-CD1 3.84Å; I296-Y371 HydrophobicContact CD1-CD2 3.91Å; I296-Y371 HydrophobicContact CD1-CE1 3.75Å; I296-Y371 HydrophobicContact CD1-CE2 3.83Å; I296-Y371 HydrophobicContact CD1-CG 3.9Å; I296-Y371 HydrophobicContact CG1-CD1 4.4Å; I296-Y371 HydrophobicContact CG1-CD2 3.95Å; I296-Y371 HydrophobicContact CG1-CE2 4.29Å; I296-Y371 HydrophobicContact CG1-CG 4Å; I296-Y371 HydrophobicContact CG2-CD2 3.83Å; I296-Y371 HydrophobicContact CG2-CE2 3.88Å
297	D	94.5	Very high	97.3	Very high	103 Å²	103	35.7 Å²	35.7	55%	0.551	18%	0.177	S	C	*	.			trans	-75.1	84.2	168.3	-171.8	26.3	0	0	0	109.5	L295 K366	L295-D297 PolarHBondContact O-N 3.22Å; D297-K366 PolarHBondContact O-N 2.99Å; D297-K366 WeakPolarHBondContact OD1-CE 3.22Å; D297-K366 IonicContact OD1-NZ 3.28Å; D297-K366 PolarHBondContact OD1-NZ 3.08Å; D297-K366 WeakPolarHBondContact OD2-CD 3.23Å; D297-K366 WeakPolarHBondContact OD2-CE 3.32Å; D297-K366 IonicContact OD2-NZ 3.81Å; D297-K366 PolarHBondContact OD2-NZ 3.32Å
298	S	94.5	Very high	97.3	Very high	32 Å²	32	28 Å²	28	22%	0.224	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	132.4	-174.3	-175.9	0	0	0	0	111.8	I296 Y300 D301 I363 K366	I296-S298 VanDerWaalsContact C-N 3.27Å; I296-S298 PolarHBondContact O-N 2.87Å; S298-Y300 VanDerWaalsContact OG-C 3.24Å; S298-Y300 PolarHBondContact OG-N 3.3Å; S298-Y300 PolarHBondContact OG-O 2.79Å; S298-D301 PolarHBondContact OG-OD1 2.84Å; S298-I363 WeakPolarHBondContact OG-CG2 3.36Å; S298-K366 WeakPolarHBondContact O-CE 3.29Å
299	K	94.4	Very high	97.3	Very high	122 Å²	122	33.1 Å²	33.1	53%	0.53	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-40.8	161.2	-170.7	-176.9	175	-178.9	0	109.8	H364 K366	K299-H364 WeakPolarHBondContact CB-O 3.46Å; K299-H364 PolarHBondContact N-O 2.69Å; K299-K366 HydrophobicContact CB-CG 3.95Å
300	Y	95.2	Very high	97.3	Very high	35 Å²	35	33.5 Å²	33.5	14%	0.137	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	158.2	172.4	49.7	-102.2	0	0	0	110.3	S298 I302 M315 H364	S298-Y300 VanDerWaalsContact OG-C 3.24Å; S298-Y300 PolarHBondContact OG-N 3.3Å; S298-Y300 PolarHBondContact OG-O 2.79Å; Y300-I302 HydrophobicContact CD2-CG1 3.83Å; Y300-I302 HydrophobicContact CE2-CD1 3.98Å; Y300-I302 HydrophobicContact CE2-CG1 3.7Å; Y300-M315 HydrophobicContact CD1-CE 4.1Å; Y300-M315 HydrophobicContact CD1-CG 4.25Å; Y300-M315 HydrophobicContact CD1-SD 3.52Å; Y300-M315 VanDerWaalsContact CD1-SD 3.52Å; Y300-M315 HydrophobicContact CD2-CE 3.71Å; Y300-M315 HydrophobicContact CD2-CG 3.55Å; Y300-M315 HydrophobicContact CD2-SD 3.69Å; Y300-M315 HydrophobicContact CE1-CE 3.79Å; Y300-M315 HydrophobicContact CE1-SD 3.8Å; Y300-M315 HydrophobicContact CE2-CE 3.34Å; Y300-M315 HydrophobicContact CE2-CG 4.22Å; Y300-M315 HydrophobicContact CE2-SD 3.94Å; Y300-M315 HydrophobicContact CG-CE 4.07Å; Y300-M315 HydrophobicContact CG-CG 3.57Å; Y300-M315 HydrophobicContact CG-SD 3.48Å; Y300-H364 HydrophobicContact CD2-CB 3.67Å; Y300-H364 HydrophobicContact CE1-CB 4.41Å; Y300-H364 AromaticContact CE1-CD2 3.76Å; Y300-H364 HydrophobicContact CE2-CB 3.26Å; Y300-H364 AromaticContact CE2-CG 3.66Å; Y300-H364 HydrophobicContact CG-CB 4.4Å; Y300-H364 AromaticContact CZ-CD2 3.45Å; Y300-H364 VanDerWaalsContact CZ-CD2 3.45Å; Y300-H364 AromaticContact CZ-CG 3.53Å; Y300-H364 PolarHBondContact N-O 2.72Å; Y300-H364 PolarHBondContact O-N 3.48Å; Y300-H364 PolarHBondContact OH-CD2 3.2Å
301	D	95.6	Very high	97.4	Very high	28 Å²	28	36.3 Å²	36.3	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.5	168	-62	-1.1	0	0	0	109.8	S298 M315 R316 T325	S298-D301 PolarHBondContact OG-OD1 2.84Å; D301-M315 CarbonylContact O-C 3.53Å; D301-M315 WeakPolarHBondContact O-CA 3.34Å; D301-R316 PolarHBondContact N-O 3.02Å; D301-R316 PolarHBondContact O-N 3.4Å; D301-R316 IonicContact OD2-NH2 3.82Å; D301-R316 PolarHBondContact OD2-NH2 3.03Å; D301-R316 VanDerWaalsContact OD2-NH2 3.08Å; D301-T325 WeakPolarHBondContact OD2-CG2 3.47Å; D301-T325 PolarHBondContact OD2-OG1 2.71Å
302	I	96.8	Very high	97.4	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.6	173.4	-45.7	162.3	0	0	0	108.9	Y300 I304 Y314 Y341 K361 A362 H364	Y300-I302 HydrophobicContact CD2-CG1 3.83Å; Y300-I302 HydrophobicContact CE2-CD1 3.98Å; Y300-I302 HydrophobicContact CE2-CG1 3.7Å; I302-I304 HydrophobicContact CB-CD1 4.33Å; I302-I304 HydrophobicContact CG2-CD1 3.7Å; I302-I304 HydrophobicContact CG2-CG1 4.16Å; I302-Y314 WeakPolarHBondContact CA-O 3.22Å; I302-Y341 HydrophobicContact CD1-CE1 4Å; I302-Y341 HydrophobicContact CG2-CE1 4.45Å; I302-K361 WeakPolarHBondContact O-CA 3.4Å; I302-A362 HydrophobicContact CB-CB 4.5Å; I302-A362 PolarHBondContact N-O 2.74Å; I302-A362 PolarHBondContact O-N 2.57Å; I302-H364 HydrophobicContact CD1-CB 4.31Å
303	R	98.2	Very high	97.4	Very high	27 Å²	27	36.2 Å²	36.2	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.2	165.3	173.9	-176.8	163.3	168.1	-5.7	109.4	A313 Y314 A359 V360 M380 P381	R303-A313 CarbonylContact O-C 3.26Å; R303-A313 WeakPolarHBondContact O-CA 3.29Å; R303-Y314 PolarHBondContact N-O 3.23Å; R303-Y314 PolarHBondContact O-N 3.29Å; R303-A359 HydrophobicContact CG-CB 4.01Å; R303-V360 WeakPolarHBondContact CA-O 3.38Å; R303-M380 PolarHBondContact NH2-SD 2.91Å; R303-P381 PolarHBondContact NH1-O 2.89Å; R303-P381 PolarHBondContact NH2-O 3.27Å
304	I	98.7	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.3	173.9	-47.4	79.2	0	0	0	106.9	I302 M337 Y341 W344 V345 A359 V360	I302-I304 HydrophobicContact CB-CD1 4.33Å; I302-I304 HydrophobicContact CG2-CD1 3.7Å; I302-I304 HydrophobicContact CG2-CG1 4.16Å; I304-M337 HydrophobicContact CG2-CE 3.9Å; I304-M337 HydrophobicContact CG2-SD 3.84Å; I304-Y341 HydrophobicContact CD1-CD1 4.43Å; I304-Y341 HydrophobicContact CG1-CD1 4.13Å; I304-Y341 HydrophobicContact CG1-CG 3.9Å; I304-W344 HydrophobicContact CD1-CE3 3.71Å; I304-W344 HydrophobicContact CD1-CZ3 3.99Å; I304-W344 HydrophobicContact CG1-CE3 4.39Å; I304-V345 HydrophobicContact CB-CB 4.41Å; I304-V345 HydrophobicContact CG2-CB 3.9Å; I304-V345 HydrophobicContact CG2-CG1 3.84Å; I304-A359 CarbonylContact O-C 3.46Å; I304-A359 WeakPolarHBondContact O-CA 3.47Å; I304-A359 WeakPolarHBondContact O-CB 3.43Å; I304-V360 PolarHBondContact N-O 3.04Å; I304-V360 PolarHBondContact O-N 3.44Å
305	Q	98.6	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.6	-179.4	72.9	178.3	29.2	0	0	112.3	Y311 K312 Y314 C358 A359 M380 D390	Q305-Y311 WeakPolarHBondContact O-CA 3.31Å; Q305-K312 HydrophobicContact CG-CB 3.98Å; Q305-K312 PolarHBondContact N-O 2.81Å; Q305-K312 PolarHBondContact O-N 2.95Å; Q305-Y314 HydrophobicContact CG-CE2 4.47Å; Q305-C358 CarbonylContact C-O 3.59Å; Q305-C358 WeakPolarHBondContact CA-O 3.35Å; Q305-A359 HydrophobicContact CB-CB 3.76Å; Q305-M380 HydrophobicContact CB-CE 3.92Å; Q305-M380 HydrophobicContact CB-SD 4.12Å; Q305-M380 HydrophobicContact CG-CE 4.42Å; Q305-D390 VanDerWaalsContact NE2-CG 3.33Å; Q305-D390 PolarHBondContact NE2-OD1 2.75Å; Q305-D390 PolarHBondContact NE2-OD2 2.84Å
306	K	98.8	Very high	97.2	Very high	27 Å²	27	37 Å²	37	12%	0.117	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	175.6	-177.1	177.7	-177.4	171.9	0	109.4	G308 D310 Y311 V345 D346 C349 C358	K306-G308 WeakPolarHBondContact CE-O 3.37Å; K306-D310 VanDerWaalsContact CA-O 3.28Å; K306-D310 WeakPolarHBondContact CA-O 3.32Å; K306-Y311 HydrophobicContact CB-CD1 4.37Å; K306-Y311 HydrophobicContact CD-CD1 4.36Å; K306-Y311 HydrophobicContact CD-CE1 3.71Å; K306-Y311 WeakPolarHBondContact CE-OH 3.22Å; K306-Y311 HydrophobicContact CG-CD1 4.2Å; K306-Y311 HydrophobicContact CG-CE1 3.97Å; K306-Y311 PolarHBondContact NZ-OH 2.96Å; K306-V345 HydrophobicContact CB-CG1 4.34Å; K306-V345 HydrophobicContact CB-CG2 3.64Å; K306-D346 IonicContact NZ-OD1 2.65Å; K306-D346 PolarHBondContact NZ-OD1 3.21Å; K306-C349 HydrophobicContact CD-CB 4.21Å; K306-C349 PolarHBondContact NZ-SG 3.43Å; K306-C358 PolarHBondContact N-O 3Å; K306-C358 PolarHBondContact O-N 2.86Å
307	I	98.8	Very high	97	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	96.8	177.1	-59.6	177.3	0	0	0	106.8	T309 D310 M380 D390 L393 I394 L397	I307-T309 PolarHBondContact O-N 3.34Å; I307-D310 PolarHBondContact N-O 3.1Å; I307-D310 PolarHBondContact O-N 3.13Å; I307-M380 HydrophobicContact CD1-CE 4.02Å; I307-M380 HydrophobicContact CG1-CE 3.78Å; I307-D390 HydrophobicContact CD1-CB 3.84Å; I307-L393 HydrophobicContact CG2-CB 3.86Å; I307-I394 HydrophobicContact CD1-CD1 4.37Å; I307-I394 HydrophobicContact CD1-CG1 4.31Å; I307-I394 HydrophobicContact CG2-CG1 3.68Å; I307-L397 HydrophobicContact CG2-CD2 4.26Å
308	G	98	Very high	96.7	Very high	20 Å²	20	34.6 Å²	34.6	21%	0.206	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-102.2	-169.9	0	0	0	0	0	111.4	K306 D356	K306-G308 WeakPolarHBondContact CE-O 3.37Å; G308-D356 PolarHBondContact N-O 2.92Å
309	T	97.8	Very high	96.3	Very high	130 Å²	130	38.8 Å²	38.8	80%	0.798	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.5	177.6	55.8	0	0	0	0	114.3	I307 Y311	I307-T309 PolarHBondContact O-N 3.34Å; T309-Y311 VanDerWaalsContact O-CD2 3.28Å; T309-Y311 WeakPolarHBondContact O-CD2 3.5Å; T309-Y311 WeakPolarHBondContact O-CE2 3.49Å
310	D	98.6	Very high	95.6	Very high	42 Å²	42	35.9 Å²	35.9	23%	0.225	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.6	174.5	-179.5	-118.8	0	0	0	111.9	K306 I307 K312 L393	K306-D310 VanDerWaalsContact CA-O 3.28Å; K306-D310 WeakPolarHBondContact CA-O 3.32Å; I307-D310 PolarHBondContact N-O 3.1Å; I307-D310 PolarHBondContact O-N 3.13Å; D310-K312 IonicContact OD1-NZ 3.08Å; D310-K312 PolarHBondContact OD1-NZ 3.46Å; D310-L393 HydrophobicContact CB-CD1 3.86Å; D310-L393 HydrophobicContact CB-CD2 4.34Å; D310-L393 WeakPolarHBondContact OD1-CD1 3.42Å
311	Y	98.8	Very high	94.7	Very high	59 Å²	59	37.6 Å²	37.6	23%	0.231	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.9	-178.9	-54.8	-101	0	0	0	111.1	Q305 K306 T309 M337 K342 V345 D346	Q305-Y311 WeakPolarHBondContact O-CA 3.31Å; K306-Y311 HydrophobicContact CB-CD1 4.37Å; K306-Y311 HydrophobicContact CD-CD1 4.36Å; K306-Y311 HydrophobicContact CD-CE1 3.71Å; K306-Y311 WeakPolarHBondContact CE-OH 3.22Å; K306-Y311 HydrophobicContact CG-CD1 4.2Å; K306-Y311 HydrophobicContact CG-CE1 3.97Å; K306-Y311 PolarHBondContact NZ-OH 2.96Å; T309-Y311 VanDerWaalsContact O-CD2 3.28Å; T309-Y311 WeakPolarHBondContact O-CD2 3.5Å; T309-Y311 WeakPolarHBondContact O-CE2 3.49Å; Y311-M337 HydrophobicContact CD1-CE 4.29Å; Y311-M337 HydrophobicContact CG-CE 4.41Å; Y311-K342 HydrophobicContact CD1-CG 4.28Å; Y311-K342 HydrophobicContact CE1-CG 4.03Å; Y311-V345 HydrophobicContact CD1-CG1 3.74Å; Y311-V345 HydrophobicContact CE1-CG1 4.04Å; Y311-D346 WeakPolarHBondContact CE1-OD1 3.48Å; Y311-D346 PolarHBondContact OH-OD1 3.45Å
312	K	98.7	Very high	94.1	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.8	172.6	-60.1	-170.8	179.2	76.9	0	111.1	Q305 D310 Y314 H386 E389 D390	Q305-K312 HydrophobicContact CG-CB 3.98Å; Q305-K312 PolarHBondContact N-O 2.81Å; Q305-K312 PolarHBondContact O-N 2.95Å; D310-K312 IonicContact OD1-NZ 3.08Å; D310-K312 PolarHBondContact OD1-NZ 3.46Å; K312-Y314 HydrophobicContact CB-CE2 3.93Å; K312-Y314 WeakPolarHBondContact CD-OH 3.33Å; K312-H386 HydrophobicContact CD-CB 4.43Å; K312-E389 WeakPolarHBondContact CE-OE1 3.47Å; K312-E389 IonicContact NZ-OE1 2.81Å; K312-E389 PolarHBondContact NZ-OE1 3.17Å; K312-D390 IonicContact NZ-OD1 3.39Å; K312-D390 PolarHBondContact NZ-OD1 3.38Å
313	A	98.5	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.9	171.7	0	0	0	0	0	110.2	R303 V335 M337 Y341	R303-A313 CarbonylContact O-C 3.26Å; R303-A313 WeakPolarHBondContact O-CA 3.29Å; A313-V335 HydrophobicContact CB-CG2 3.74Å; A313-V335 PolarHBondContact O-N 2.94Å; A313-M337 HydrophobicContact CB-SD 3.77Å; A313-Y341 HydrophobicContact CB-CD2 3.99Å; A313-Y341 HydrophobicContact CB-CE2 4.41Å
314	Y	98.1	Very high	93	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.2	178	-63.3	-79.1	0	0	0	110.3	I302 R303 Q305 K312 E333 Q334 V383	I302-Y314 WeakPolarHBondContact CA-O 3.22Å; R303-Y314 PolarHBondContact N-O 3.23Å; R303-Y314 PolarHBondContact O-N 3.29Å; Q305-Y314 HydrophobicContact CG-CE2 4.47Å; K312-Y314 HydrophobicContact CB-CE2 3.93Å; K312-Y314 WeakPolarHBondContact CD-OH 3.33Å; Y314-E333 CarbonylContact C-O 3.59Å; Y314-E333 VanDerWaalsContact CA-O 3.27Å; Y314-E333 WeakPolarHBondContact CA-O 3.39Å; Y314-Q334 HydrophobicContact CD1-CB 3.9Å; Y314-Q334 HydrophobicContact CD1-CG 4.29Å; Y314-Q334 HydrophobicContact CE1-CB 3.83Å; Y314-Q334 HydrophobicContact CE1-CG 4.07Å; Y314-V383 HydrophobicContact CD2-CG2 3.78Å; Y314-V383 HydrophobicContact CE2-CG2 3.92Å; Y314-V383 HydrophobicContact CG-CG2 4.22Å; Y314-V383 PolarHBondContact OH-O 2.97Å
315	M	96.4	Very high	92	Very high	31 Å²	31	44.2 Å²	44.2	15%	0.153	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.6	172.5	-174.7	176.1	-63.9	0	0	109.3	Y300 D301 L332 E333 V335	Y300-M315 HydrophobicContact CD1-CE 4.1Å; Y300-M315 HydrophobicContact CD1-CG 4.25Å; Y300-M315 HydrophobicContact CD1-SD 3.52Å; Y300-M315 VanDerWaalsContact CD1-SD 3.52Å; Y300-M315 HydrophobicContact CD2-CE 3.71Å; Y300-M315 HydrophobicContact CD2-CG 3.55Å; Y300-M315 HydrophobicContact CD2-SD 3.69Å; Y300-M315 HydrophobicContact CE1-CE 3.79Å; Y300-M315 HydrophobicContact CE1-SD 3.8Å; Y300-M315 HydrophobicContact CE2-CE 3.34Å; Y300-M315 HydrophobicContact CE2-CG 4.22Å; Y300-M315 HydrophobicContact CE2-SD 3.94Å; Y300-M315 HydrophobicContact CG-CE 4.07Å; Y300-M315 HydrophobicContact CG-CG 3.57Å; Y300-M315 HydrophobicContact CG-SD 3.48Å; D301-M315 CarbonylContact O-C 3.53Å; D301-M315 WeakPolarHBondContact O-CA 3.34Å; M315-L332 WeakPolarHBondContact O-CA 3.45Å; M315-E333 PolarHBondContact N-O 3.43Å; M315-E333 PolarHBondContact O-N 3.43Å; M315-V335 HydrophobicContact CB-CG1 3.77Å; M315-V335 HydrophobicContact CE-CG1 4.22Å
316	R	95	Very high	91	Very high	75 Å²	75	47.6 Å²	47.6	28%	0.283	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.7	177.3	-169.5	177.8	60.2	-146.2	-9.8	111.9	D301 T325 A330 M331 L332	D301-R316 PolarHBondContact N-O 3.02Å; D301-R316 PolarHBondContact O-N 3.4Å; D301-R316 IonicContact OD2-NH2 3.82Å; D301-R316 PolarHBondContact OD2-NH2 3.03Å; D301-R316 VanDerWaalsContact OD2-NH2 3.08Å; R316-T325 PolarHBondContact NE-O 3.34Å; R316-T325 PolarHBondContact NE-OG1 2.79Å; R316-T325 PolarHBondContact NH2-OG1 2.93Å; R316-A330 HydrophobicContact CG-CB 3.85Å; R316-M331 CarbonylContact C-O 3.51Å; R316-M331 VanDerWaalsContact CA-O 3.28Å; R316-M331 WeakPolarHBondContact CA-O 3.25Å; R316-M331 WeakPolarHBondContact CG-O 3.39Å; R316-L332 HydrophobicContact CB-CD1 3.77Å; R316-L332 HydrophobicContact CG-CD1 4.14Å
317	T	92.8	Very high	89.9	Confident	45 Å²	45	49.1 Å²	49.1	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125	-177.4	-55.3	0	0	0	0	110	I319 A330 M331	T317-I319 PolarHBondContact O-N 2.98Å; T317-A330 CarbonylContact O-C 3.56Å; T317-A330 VanDerWaalsContact O-CA 3.24Å; T317-A330 WeakPolarHBondContact O-CA 3.47Å; T317-A330 WeakPolarHBondContact O-CB 3.35Å; T317-M331 PolarHBondContact N-O 3.16Å; T317-M331 PolarHBondContact O-N 3.24Å
318	S	89.1	Confident	88.9	Confident	33 Å²	33	51.8 Å²	51.8	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117	-180	-166.5	0	0	0	0	110.8	N322	S318-N322 WeakPolarHBondContact CB-O 3.38Å; S318-N322 PolarHBondContact OG-N 3.33Å; S318-N322 PolarHBondContact OG-O 2.91Å
319	I	85.9	Confident	88.2	Confident	120 Å²	120	54.7 Å²	54.7	62%	0.615	33%	0.325	S	S	*	.	S	Bend	trans	-83	-36.2	175.3	-56.4	168	0	0	0	109.4	T317 G321 S329 M331	T317-I319 PolarHBondContact O-N 2.98Å; I319-G321 PolarHBondContact O-N 3.42Å; I319-S329 PolarHBondContact N-O 2.93Å; I319-M331 HydrophobicContact CD1-CB 4.11Å; I319-M331 HydrophobicContact CG1-CB 4.28Å
320	S	78.6	Confident	87.8	Confident	61 Å²	61	50.1 Å²	50.1	43%	0.427	30%	0.301	S	S	.	.	S	Bend	trans	-73.5	0.8	-178.2	58.3	0	0	0	0	115.4	N322 S329	S320-N322 PolarHBondContact O-N 3.3Å; S320-N322 VanDerWaalsContact O-N 3.1Å; S320-S329 PolarHBondContact N-O 2.84Å; S320-S329 VanDerWaalsContact N-O 3.08Å; S320-S329 PolarHBondContact OG-O 3.39Å
321	G	76.3	Confident	87.4	Confident	71 Å²	71	52.1 Å²	52.1	73%	0.732	31%	0.31	S	S	*	.			trans	67.5	2.2	-174.7	0	0	0	0	0	114.7	I319	I319-G321 PolarHBondContact O-N 3.42Å
322	N	83	Confident	87.3	Confident	50 Å²	50	52.5 Å²	52.5	27%	0.267	32%	0.315	S	S	.	.			trans	-71.7	131.1	179	-168.7	-5.8	0	0	0	110.9	S318 S320 K324 T327	S318-N322 WeakPolarHBondContact CB-O 3.38Å; S318-N322 PolarHBondContact OG-N 3.33Å; S318-N322 PolarHBondContact OG-O 2.91Å; S320-N322 PolarHBondContact O-N 3.3Å; S320-N322 VanDerWaalsContact O-N 3.1Å; N322-K324 PolarHBondContact O-N 3.14Å; N322-K324 PolarHBondContact OD1-N 3.19Å; N322-T327 PolarHBondContact ND2-O 3.49Å
323	W	86.3	Confident	87.1	Confident	97 Å²	97	56.6 Å²	56.6	37%	0.367	33%	0.334	S	S	.	.	S	Bend	trans	-63.8	-28	175.3	74.3	-89.1	0	0	0	112.3	V255 K267 K269 L295 T325	V255-W323 HydrophobicContact CB-CZ3 4.31Å; V255-W323 HydrophobicContact CG1-CH2 3.83Å; V255-W323 HydrophobicContact CG1-CZ3 3.79Å; V255-W323 HydrophobicContact CG2-CE3 4.11Å; V255-W323 HydrophobicContact CG2-CH2 4.12Å; V255-W323 HydrophobicContact CG2-CZ3 3.52Å; K267-W323 HydrophobicContact CB-CH2 4.29Å; K269-W323 HydrophobicContact CB-CD2 4.34Å; K269-W323 HydrophobicContact CB-CH2 4.48Å; K269-W323 HydrophobicContact CB-CZ2 3.76Å; L295-W323 HydrophobicContact CD1-CB 4.49Å; L295-W323 HydrophobicContact CD1-CD2 4.29Å; L295-W323 HydrophobicContact CD1-CE3 3.94Å; W323-T325 PolarHBondContact O-N 3.31Å
324	K	85.7	Confident	87	Confident	44 Å²	44	61 Å²	61	19%	0.191	36%	0.355	C	S	.	.	S	Bend	trans	-82.3	89.8	163.4	-64.2	-173.8	-172.7	179.9	0	108.5	G264 K267 N322 N326 T327	G264-K324 PolarHBondContact O-NZ 3.19Å; K267-K324 WeakPolarHBondContact O-CE 3.46Å; K267-K324 PolarHBondContact O-NZ 3.38Å; N322-K324 PolarHBondContact O-N 3.14Å; N322-K324 PolarHBondContact OD1-N 3.19Å; K324-N326 PolarHBondContact O-N 2.79Å; K324-T327 PolarHBondContact O-N 2.85Å
325	T	78.8	Confident	87	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.043	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.1	177.9	81.2	0	0	0	0	113	D301 R316 W323 A330	D301-T325 WeakPolarHBondContact OD2-CG2 3.47Å; D301-T325 PolarHBondContact OD2-OG1 2.71Å; R316-T325 PolarHBondContact NE-O 3.34Å; R316-T325 PolarHBondContact NE-OG1 2.79Å; R316-T325 PolarHBondContact NH2-OG1 2.93Å; W323-T325 PolarHBondContact O-N 3.31Å; T325-A330 WeakPolarHBondContact O-CB 3.5Å
326	N	76.6	Confident	87	Confident	70 Å²	70	64.8 Å²	64.8	37%	0.374	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	6	171.8	81	-95.5	0	0	0	114.5	S263 K324	S263-N326 PolarHBondContact O-ND2 3.39Å; K324-N326 PolarHBondContact O-N 2.79Å
327	T	76.7	Confident	87.2	Confident	60 Å²	60	64.2 Å²	64.2	37%	0.368	39%	0.39	S	S	.	.	S	Bend	trans	-134.6	105.4	-173.8	-56.4	0	0	0	0	110.2	N322 K324	N322-T327 PolarHBondContact ND2-O 3.49Å; K324-T327 PolarHBondContact O-N 2.85Å
328	G	77.8	Confident	87.5	Confident	62 Å²	62	64.9 Å²	64.9	64%	0.639	39%	0.394	S	S	*	.	S	Bend	trans	95.3	-173.4	-170.9	0	0	0	0	0	112.2	A330	G328-A330 PolarHBondContact O-N 3.25Å
329	S	82.6	Confident	87.9	Confident	81 Å²	81	70.1 Å²	70.1	57%	0.566	42%	0.419	S	S	*	.			trans	-68.1	129.5	-174	-50.8	0	0	0	0	112.3	I319 S320	I319-S329 PolarHBondContact N-O 2.93Å; S320-S329 PolarHBondContact N-O 2.84Å; S320-S329 VanDerWaalsContact N-O 3.08Å; S320-S329 PolarHBondContact OG-O 3.39Å
330	A	89.3	Confident	88.5	Confident	34 Å²	34	68.8 Å²	68.8	28%	0.281	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.9	176	0	0	0	0	0	110.1	R316 T317 T325 G328	R316-A330 HydrophobicContact CG-CB 3.85Å; T317-A330 CarbonylContact O-C 3.56Å; T317-A330 VanDerWaalsContact O-CA 3.24Å; T317-A330 WeakPolarHBondContact O-CA 3.47Å; T317-A330 WeakPolarHBondContact O-CB 3.35Å; T325-A330 WeakPolarHBondContact O-CB 3.5Å; G328-A330 PolarHBondContact O-N 3.25Å
331	M	91.4	Very high	89.5	Confident	84 Å²	84	67.1 Å²	67.1	41%	0.414	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.2	170.4	-164.6	168.8	72.6	0	0	108.8	R316 T317 I319 E333	R316-M331 CarbonylContact C-O 3.51Å; R316-M331 VanDerWaalsContact CA-O 3.28Å; R316-M331 WeakPolarHBondContact CA-O 3.25Å; R316-M331 WeakPolarHBondContact CG-O 3.39Å; T317-M331 PolarHBondContact N-O 3.16Å; T317-M331 PolarHBondContact O-N 3.24Å; I319-M331 HydrophobicContact CD1-CB 4.11Å; I319-M331 HydrophobicContact CG1-CB 4.28Å; M331-E333 HydrophobicContact CE-CG 4.23Å; M331-E333 VanDerWaalsContact CE-OE1 3.29Å; M331-E333 WeakPolarHBondContact CE-OE1 3.43Å; M331-E333 HydrophobicContact CG-CG 4.32Å
332	L	94.9	Very high	90.5	Very high	66 Å²	66	67.4 Å²	67.4	35%	0.346	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.8	178	-176.7	77.8	0	0	0	109.1	M315 R316 V383 G384	M315-L332 WeakPolarHBondContact O-CA 3.45Å; R316-L332 HydrophobicContact CB-CD1 3.77Å; R316-L332 HydrophobicContact CG-CD1 4.14Å; L332-V383 HydrophobicContact CD2-CB 3.84Å; L332-V383 HydrophobicContact CD2-CG2 4.33Å; L332-G384 VanDerWaalsContact CD2-N 3.26Å
333	E	95.3	Very high	91.3	Very high	93 Å²	93	68 Å²	68	44%	0.435	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142	-177	-63.4	177.7	147.2	0	0	109.7	Y314 M315 M331	Y314-E333 CarbonylContact C-O 3.59Å; Y314-E333 VanDerWaalsContact CA-O 3.27Å; Y314-E333 WeakPolarHBondContact CA-O 3.39Å; M315-E333 PolarHBondContact N-O 3.43Å; M315-E333 PolarHBondContact O-N 3.43Å; M331-E333 HydrophobicContact CE-CG 4.23Å; M331-E333 VanDerWaalsContact CE-OE1 3.29Å; M331-E333 WeakPolarHBondContact CE-OE1 3.43Å; M331-E333 HydrophobicContact CG-CG 4.32Å
334	Q	96.7	Very high	91.9	Very high	93 Å²	93	63.4 Å²	63.4	44%	0.435	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.8	167.1	-174.8	164.3	-34.3	0	0	109.3	Y314 H386	Y314-Q334 HydrophobicContact CD1-CB 3.9Å; Y314-Q334 HydrophobicContact CD1-CG 4.29Å; Y314-Q334 HydrophobicContact CE1-CB 3.83Å; Y314-Q334 HydrophobicContact CE1-CG 4.07Å; Q334-H386 PolarHBondContact OE1-CE1 3.32Å; Q334-H386 PolarHBondContact OE1-ND1 3.32Å
335	V	97.4	Very high	92.5	Very high	35 Å²	35	61.3 Å²	61.3	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.9	-179.1	-60.6	0	0	0	0	110.6	A313 M315 M337 Y341	A313-V335 HydrophobicContact CB-CG2 3.74Å; A313-V335 PolarHBondContact O-N 2.94Å; M315-V335 HydrophobicContact CB-CG1 3.77Å; M315-V335 HydrophobicContact CE-CG1 4.22Å; V335-M337 PolarHBondContact O-N 2.91Å; V335-Y341 HydrophobicContact CG2-CE2 4.49Å
336	A	97.9	Very high	93.4	Very high	80 Å²	80	62.6 Å²	62.6	66%	0.661	36%	0.355	S	S	*	.			trans	-59.4	137	-180	0	0	0	0	0	111.5
337	M	98.4	Very high	94.4	Very high	62 Å²	62	60 Å²	60	31%	0.305	34%	0.342	S	S	.	.			trans	-64.5	140.7	165.8	-80.5	-62	-58	0	0	109.7	I304 Y311 A313 V335 K342	I304-M337 HydrophobicContact CG2-CE 3.9Å; I304-M337 HydrophobicContact CG2-SD 3.84Å; Y311-M337 HydrophobicContact CD1-CE 4.29Å; Y311-M337 HydrophobicContact CG-CE 4.41Å; A313-M337 HydrophobicContact CB-SD 3.77Å; V335-M337 PolarHBondContact O-N 2.91Å; M337-K342 HydrophobicContact CE-CB 3.91Å
338	T	98.3	Very high	95.5	Very high	60 Å²	60	57.1 Å²	57.1	37%	0.368	32%	0.324	S	S	.	.			trans	-124.2	159	175.4	64.8	0	0	0	0	109.2	R340 Y341 K342	T338-R340 PolarHBondContact O-N 3.31Å; T338-Y341 HydrophobicContact CG2-CD2 4.15Å; T338-Y341 HydrophobicContact CG2-CE2 4.21Å; T338-Y341 PolarHBondContact O-N 2.85Å; T338-Y341 VanDerWaalsContact O-N 3.1Å; T338-Y341 WeakPolarHBondContact OG1-CD2 3.33Å; T338-Y341 PolarHBondContact OG1-N 3.02Å; T338-Y341 VanDerWaalsContact OG1-N 3.12Å; T338-K342 WeakPolarHBondContact O-CB 3.2Å; T338-K342 PolarHBondContact O-N 2.98Å
339	D	98.5	Very high	96.4	Very high	142 Å²	142	55 Å²	55	76%	0.759	30%	0.3	S	S	*	.	H	α-helix	trans	-58.9	-32.2	175.5	-62.4	-44.2	0	0	0	112.3	K342 L343	D339-K342 PolarHBondContact O-N 3.02Å; D339-L343 VanDerWaalsContact O-CB 3.24Å; D339-L343 WeakPolarHBondContact O-CB 3.25Å; D339-L343 PolarHBondContact O-N 3.23Å
340	R	98.3	Very high	97.2	Very high	92 Å²	92	57.3 Å²	57.3	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-52	172.6	-179.4	175.6	-175.1	74.5	-7.3	111.4	E230 T338 L343 W344 D370	E230-R340 PolarHBondContact O-NH1 2.93Å; T338-R340 PolarHBondContact O-N 3.31Å; R340-L343 PolarHBondContact O-N 3.37Å; R340-W344 HydrophobicContact CG-CH2 4.32Å; R340-W344 HydrophobicContact CG-CZ2 3.67Å; R340-W344 VanDerWaalsContact O-CD1 3.25Å; R340-W344 VanDerWaalsContact O-CG 3.26Å; R340-W344 PolarHBondContact O-N 3.16Å; R340-D370 IonicContact CZ-OD2 2.99Å; R340-D370 IonicContact NE-OD2 2.72Å; R340-D370 PolarHBondContact NE-OD2 3.49Å; R340-D370 IonicContact NH2-OD2 2.81Å; R340-D370 PolarHBondContact NH2-OD2 3.24Å
341	Y	98.6	Very high	97.6	Very high	27 Å²	27	56.3 Å²	56.3	11%	0.106	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-40.3	177.2	-65	-16.3	0	0	0	111.9	I302 I304 A313 V335 T338 W344 V345	I302-Y341 HydrophobicContact CD1-CE1 4Å; I302-Y341 HydrophobicContact CG2-CE1 4.45Å; I304-Y341 HydrophobicContact CD1-CD1 4.43Å; I304-Y341 HydrophobicContact CG1-CD1 4.13Å; I304-Y341 HydrophobicContact CG1-CG 3.9Å; A313-Y341 HydrophobicContact CB-CD2 3.99Å; A313-Y341 HydrophobicContact CB-CE2 4.41Å; V335-Y341 HydrophobicContact CG2-CE2 4.49Å; T338-Y341 HydrophobicContact CG2-CD2 4.15Å; T338-Y341 HydrophobicContact CG2-CE2 4.21Å; T338-Y341 PolarHBondContact O-N 2.85Å; T338-Y341 VanDerWaalsContact O-N 3.1Å; T338-Y341 WeakPolarHBondContact OG1-CD2 3.33Å; T338-Y341 PolarHBondContact OG1-N 3.02Å; T338-Y341 VanDerWaalsContact OG1-N 3.12Å; Y341-W344 AromaticContact CD1-CE3 3.91Å; Y341-W344 HydrophobicContact CD1-CE3 3.91Å; Y341-W344 HydrophobicContact CD1-CH2 4.19Å; Y341-W344 AromaticContact CD1-CZ3 3.65Å; Y341-W344 HydrophobicContact CD1-CZ3 3.65Å; Y341-W344 HydrophobicContact CE1-CH2 4.13Å; Y341-W344 AromaticContact CE1-CZ3 3.83Å; Y341-W344 HydrophobicContact CE1-CZ3 3.83Å; Y341-W344 PolarHBondContact O-N 3.07Å; Y341-V345 PolarHBondContact O-N 2.93Å; Y341-V345 VanDerWaalsContact O-N 3.15Å
342	K	98.7	Very high	97.9	Very high	76 Å²	76	53.5 Å²	53.5	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-48.6	177.6	-167.7	-179.9	-174.3	-62.4	0	111.2	Y311 M337 T338 D339 W344 V345 D346	Y311-K342 HydrophobicContact CD1-CG 4.28Å; Y311-K342 HydrophobicContact CE1-CG 4.03Å; M337-K342 HydrophobicContact CE-CB 3.91Å; T338-K342 WeakPolarHBondContact O-CB 3.2Å; T338-K342 PolarHBondContact O-N 2.98Å; D339-K342 PolarHBondContact O-N 3.02Å; K342-W344 VanDerWaalsContact C-N 3.3Å; K342-W344 PolarHBondContact O-N 2.9Å; K342-V345 PolarHBondContact O-N 2.95Å; K342-D346 WeakPolarHBondContact CG-OD2 3.32Å; K342-D346 IonicContact NZ-OD1 2.69Å; K342-D346 IonicContact NZ-OD2 3.56Å; K342-D346 PolarHBondContact NZ-OD2 3.1Å; K342-D346 WeakPolarHBondContact O-CB 3.27Å; K342-D346 PolarHBondContact O-N 3.45Å
343	L	98.7	Very high	97.9	Very high	64 Å²	64	54 Å²	54	34%	0.335	30%	0.298	S	S	.	.	H	α-helix	trans	-55	-42.9	175.4	175.8	63.7	0	0	0	112.4	L227 K231 D339 R340 T347	L227-L343 HydrophobicContact CD1-CD1 4.39Å; K231-L343 HydrophobicContact CB-CD2 4.14Å; D339-L343 VanDerWaalsContact O-CB 3.24Å; D339-L343 WeakPolarHBondContact O-CB 3.25Å; D339-L343 PolarHBondContact O-N 3.23Å; R340-L343 PolarHBondContact O-N 3.37Å; L343-T347 WeakPolarHBondContact O-CB 3.38Å; L343-T347 PolarHBondContact O-N 3.25Å; L343-T347 PolarHBondContact O-OG1 2.8Å
344	W	98.8	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-50.8	178.3	-62.7	-10.8	0	0	0	112.1	K231 F232 P233 I304 R340 Y341 K342 C348 A362 D370 I372	K231-W344 PolarHBondContact O-NE1 2.82Å; F232-W344 AromaticContact CD2-CD1 3.88Å; F232-W344 HydrophobicContact CD2-CG 4.45Å; F232-W344 HydrophobicContact CE2-CB 4.46Å; P233-W344 HydrophobicContact CG-CH2 4.43Å; P233-W344 HydrophobicContact CG-CZ2 3.7Å; I304-W344 HydrophobicContact CD1-CE3 3.71Å; I304-W344 HydrophobicContact CD1-CZ3 3.99Å; I304-W344 HydrophobicContact CG1-CE3 4.39Å; R340-W344 HydrophobicContact CG-CH2 4.32Å; R340-W344 HydrophobicContact CG-CZ2 3.67Å; R340-W344 VanDerWaalsContact O-CD1 3.25Å; R340-W344 VanDerWaalsContact O-CG 3.26Å; R340-W344 PolarHBondContact O-N 3.16Å; Y341-W344 AromaticContact CD1-CE3 3.91Å; Y341-W344 HydrophobicContact CD1-CE3 3.91Å; Y341-W344 HydrophobicContact CD1-CH2 4.19Å; Y341-W344 AromaticContact CD1-CZ3 3.65Å; Y341-W344 HydrophobicContact CD1-CZ3 3.65Å; Y341-W344 HydrophobicContact CE1-CH2 4.13Å; Y341-W344 AromaticContact CE1-CZ3 3.83Å; Y341-W344 HydrophobicContact CE1-CZ3 3.83Å; Y341-W344 PolarHBondContact O-N 3.07Å; K342-W344 VanDerWaalsContact C-N 3.3Å; K342-W344 PolarHBondContact O-N 2.9Å; W344-C348 VanDerWaalsContact O-CB 3.25Å; W344-C348 WeakPolarHBondContact O-CB 3.5Å; W344-C348 PolarHBondContact O-N 2.9Å; W344-C348 PolarHBondContact O-SG 3.36Å; W344-A362 HydrophobicContact CZ3-CB 4.04Å; W344-D370 HydrophobicContact CH2-CB 3.67Å; W344-D370 HydrophobicContact CZ2-CB 4.17Å; W344-I372 HydrophobicContact CB-CD1 4.45Å; W344-I372 HydrophobicContact CD2-CD1 3.81Å; W344-I372 HydrophobicContact CD2-CG1 4.31Å; W344-I372 HydrophobicContact CE3-CD1 4.32Å; W344-I372 HydrophobicContact CE3-CG1 4.35Å; W344-I372 HydrophobicContact CG-CD1 3.86Å
345	V	98.8	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-74.5	-31	-176.2	74.5	0	0	0	0	112.4	I304 K306 Y311 Y341 K342 C349 V360	I304-V345 HydrophobicContact CB-CB 4.41Å; I304-V345 HydrophobicContact CG2-CB 3.9Å; I304-V345 HydrophobicContact CG2-CG1 3.84Å; K306-V345 HydrophobicContact CB-CG1 4.34Å; K306-V345 HydrophobicContact CB-CG2 3.64Å; Y311-V345 HydrophobicContact CD1-CG1 3.74Å; Y311-V345 HydrophobicContact CE1-CG1 4.04Å; Y341-V345 PolarHBondContact O-N 2.93Å; Y341-V345 VanDerWaalsContact O-N 3.15Å; K342-V345 PolarHBondContact O-N 2.95Å; V345-C349 WeakPolarHBondContact O-CB 3.5Å; V345-C349 PolarHBondContact O-N 2.52Å; V345-V360 HydrophobicContact CB-CG2 4.26Å; V345-V360 HydrophobicContact CG2-CG2 4.32Å
346	D	98.6	Very high	98.2	Very high	34 Å²	34	46.7 Å²	46.7	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-51.2	171.7	-79.4	-27.1	0	0	0	111.6	K306 Y311 K342 C348 C349 E350	K306-D346 IonicContact NZ-OD1 2.65Å; K306-D346 PolarHBondContact NZ-OD1 3.21Å; Y311-D346 WeakPolarHBondContact CE1-OD1 3.48Å; Y311-D346 PolarHBondContact OH-OD1 3.45Å; K342-D346 WeakPolarHBondContact CG-OD2 3.32Å; K342-D346 IonicContact NZ-OD1 2.69Å; K342-D346 IonicContact NZ-OD2 3.56Å; K342-D346 PolarHBondContact NZ-OD2 3.1Å; K342-D346 WeakPolarHBondContact O-CB 3.27Å; K342-D346 PolarHBondContact O-N 3.45Å; D346-C348 PolarHBondContact O-N 2.97Å; D346-C349 PolarHBondContact O-N 2.88Å; D346-C349 PolarHBondContact O-SG 3.12Å; D346-E350 PolarHBondContact O-N 2.89Å
347	T	97.8	Very high	98.2	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.086	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-32.8	-179	-39.5	0	0	0	0	111.5	T223 L227 L343	T223-T347 HydrophobicContact CG2-CG2 3.5Å; L227-T347 HydrophobicContact CD1-CG2 4.11Å; L343-T347 WeakPolarHBondContact O-CB 3.38Å; L343-T347 PolarHBondContact O-N 3.25Å; L343-T347 PolarHBondContact O-OG1 2.8Å
348	C	98.3	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.7	-19.8	173.2	-72.8	0	0	0	0	114.2	L220 W344 D346 I351 V360 V375	L220-C348 VanDerWaalsContact CD2-SG 3.55Å; W344-C348 VanDerWaalsContact O-CB 3.25Å; W344-C348 WeakPolarHBondContact O-CB 3.5Å; W344-C348 PolarHBondContact O-N 2.9Å; W344-C348 PolarHBondContact O-SG 3.36Å; D346-C348 PolarHBondContact O-N 2.97Å; C348-I351 WeakPolarHBondContact O-CG1 3.44Å; C348-V360 HydrophobicContact CB-CG2 3.48Å; C348-V360 VanDerWaalsContact CB-CG2 3.48Å; C348-V360 VanDerWaalsContact SG-CG2 3.53Å; C348-V375 HydrophobicContact CB-CG2 4.02Å
349	C	98.1	Very high	98.3	Very high	18 Å²	18	37.1 Å²	37.1	12%	0.122	21%	0.206	C	C	.	.	H	α-helix	trans	-84.9	-7.6	175.8	85.9	0	0	0	0	113.4	K306 V345 D346 G354 L355	K306-C349 HydrophobicContact CD-CB 4.21Å; K306-C349 PolarHBondContact NZ-SG 3.43Å; V345-C349 WeakPolarHBondContact O-CB 3.5Å; V345-C349 PolarHBondContact O-N 2.52Å; D346-C349 PolarHBondContact O-N 2.88Å; D346-C349 PolarHBondContact O-SG 3.12Å; C349-G354 CarbonylContact O-C 3.45Å; C349-G354 WeakPolarHBondContact O-CA 3.19Å; C349-L355 HydrophobicContact CB-CB 4.35Å; C349-L355 PolarHBondContact O-N 2.65Å
350	E	98	Very high	98.3	Very high	129 Å²	129	30.3 Å²	30.3	60%	0.603	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.3	175.3	-66.8	-179.1	169.2	0	0	113.3	D346	D346-E350 PolarHBondContact O-N 2.89Å
351	I	97.6	Very high	98.3	Very high	14 Å²	14	29 Å²	29	7%	0.072	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-71.2	151.9	-173.8	75.8	179.1	0	0	0	112.6	Q219 C348 G353 G354 L355 V375	Q219-I351 HydrophobicContact CB-CB 4.27Å; Q219-I351 HydrophobicContact CB-CG2 3.86Å; Q219-I351 HydrophobicContact CG-CB 4.48Å; C348-I351 WeakPolarHBondContact O-CG1 3.44Å; I351-G353 VanDerWaalsContact C-N 3.28Å; I351-G353 PolarHBondContact O-N 3.38Å; I351-G354 PolarHBondContact O-N 3.39Å; I351-L355 HydrophobicContact CD1-CD1 4.09Å; I351-L355 HydrophobicContact CG1-CD1 3.81Å; I351-L355 HydrophobicContact CG1-CD2 4.38Å; I351-L355 HydrophobicContact CG1-CG 4.07Å; I351-V375 HydrophobicContact CD1-CG1 3.93Å; I351-V375 HydrophobicContact CD1-CG2 4.46Å
352	F	97.9	Very high	98.3	Very high	24 Å²	24	27.8 Å²	27.8	11%	0.105	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	50.7	42.1	176.4	-50.7	-53.5	0	0	0	114.4	N209 L210 W215 A216 Q219 G354	N209-F352 HydrophobicContact CB-CB 4.25Å; N209-F352 HydrophobicContact CB-CD1 3.54Å; N209-F352 HydrophobicContact CB-CD2 3.72Å; N209-F352 HydrophobicContact CB-CE1 3.67Å; N209-F352 HydrophobicContact CB-CE2 3.85Å; N209-F352 HydrophobicContact CB-CG 3.57Å; N209-F352 HydrophobicContact CB-CZ 3.83Å; L210-F352 HydrophobicContact CD2-CD2 4.45Å; L210-F352 HydrophobicContact CD2-CE2 4.15Å; L210-F352 HydrophobicContact CG-CD2 4.32Å; L210-F352 HydrophobicContact CG-CE2 4.36Å; W215-F352 AromaticContact CD1-CE1 3.82Å; W215-F352 AromaticContact CD1-CZ 3.62Å; W215-F352 HydrophobicContact CG-CZ 4.5Å; W215-F352 AromaticContact NE1-CE1 3.48Å; W215-F352 AromaticContact NE1-CZ 3.8Å; A216-F352 HydrophobicContact CB-CE2 4.46Å; Q219-F352 HydrophobicContact CG-CE1 3.71Å; Q219-F352 HydrophobicContact CG-CE2 4.28Å; Q219-F352 HydrophobicContact CG-CZ 3.55Å; F352-G354 VanDerWaalsContact C-N 3.28Å; F352-G354 PolarHBondContact O-N 2.86Å
353	G	95.6	Very high	98.2	Very high	77 Å²	77	25.7 Å²	25.7	79%	0.794	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	82.2	-2.7	178.5	0	0	0	0	0	115.2	I351	I351-G353 VanDerWaalsContact C-N 3.28Å; I351-G353 PolarHBondContact O-N 3.38Å
354	G	97.8	Very high	98.2	Very high	23 Å²	23	23.8 Å²	23.8	24%	0.237	14%	0.143	C	C	.	.			trans	121.3	132.3	176.6	0	0	0	0	0	113.4	C349 I351 F352	C349-G354 CarbonylContact O-C 3.45Å; C349-G354 WeakPolarHBondContact O-CA 3.19Å; I351-G354 PolarHBondContact O-N 3.39Å; F352-G354 VanDerWaalsContact C-N 3.28Å; F352-G354 PolarHBondContact O-N 2.86Å
355	L	98.8	Very high	98.1	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.042	14%	0.144	C	C	.	.			trans	-107.4	105.6	174.7	-50.9	-174.8	0	0	0	110.1	L210 C349 I351 I357 C358 V375	L210-L355 HydrophobicContact CD1-CD2 4.2Å; C349-L355 HydrophobicContact CB-CB 4.35Å; C349-L355 PolarHBondContact O-N 2.65Å; I351-L355 HydrophobicContact CD1-CD1 4.09Å; I351-L355 HydrophobicContact CG1-CD1 3.81Å; I351-L355 HydrophobicContact CG1-CD2 4.38Å; I351-L355 HydrophobicContact CG1-CG 4.07Å; L355-I357 VanDerWaalsContact C-N 3.27Å; L355-I357 PolarHBondContact O-N 3.35Å; L355-C358 HydrophobicContact CB-CB 3.85Å; L355-C358 HydrophobicContact CD1-CB 3.72Å; L355-C358 HydrophobicContact CG-CB 4.47Å; L355-V375 HydrophobicContact CD1-CG2 4.37Å
356	D	98.8	Very high	98	Very high	37 Å²	37	30 Å²	30	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-64.4	-32.3	176.2	-77.7	-47.7	0	0	0	113	I201 N202 G308 L397 K401	I201-D356 HydrophobicContact CG2-CB 4.21Å; N202-D356 PolarHBondContact OD1-N 3.4Å; G308-D356 PolarHBondContact N-O 2.92Å; D356-L397 HydrophobicContact CB-CD2 4.3Å; D356-K401 VanDerWaalsContact OD1-CE 3.3Å; D356-K401 WeakPolarHBondContact OD1-CE 3.34Å; D356-K401 IonicContact OD1-NZ 2.7Å; D356-K401 PolarHBondContact OD1-NZ 3.08Å; D356-K401 IonicContact OD2-NZ 2.65Å; D356-K401 PolarHBondContact OD2-NZ 3.06Å
357	I	98.9	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124	173.2	-58.1	172.8	0	0	0	107.7	L172 I201 N202 L355 G377 S378 M380 I394 L397	L172-I357 HydrophobicContact CD1-CD1 4.41Å; I201-I357 HydrophobicContact CG2-CD1 3.48Å; I201-I357 VanDerWaalsContact CG2-CD1 3.48Å; I201-I357 HydrophobicContact CG2-CG1 3.89Å; N202-I357 PolarHBondContact ND2-O 3Å; N202-I357 PolarHBondContact OD1-N 2.89Å; N202-I357 PolarHBondContact OD1-O 3.44Å; L355-I357 VanDerWaalsContact C-N 3.27Å; L355-I357 PolarHBondContact O-N 3.35Å; I357-G377 CarbonylContact O-C 3.57Å; I357-G377 WeakPolarHBondContact O-CA 2.96Å; I357-S378 PolarHBondContact O-N 3.15Å; I357-M380 HydrophobicContact CG2-CE 3.54Å; I357-M380 HydrophobicContact CG2-CG 4.24Å; I357-M380 HydrophobicContact CG2-SD 4.05Å; I357-I394 HydrophobicContact CD1-CB 4.47Å; I357-I394 HydrophobicContact CD1-CD1 4.04Å; I357-I394 HydrophobicContact CD1-CG1 3.77Å; I357-I394 HydrophobicContact CD1-CG2 3.99Å; I357-L397 HydrophobicContact CG1-CD2 3.96Å
358	C	98.8	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165	173.2	67.7	0	0	0	0	113.7	Q305 K306 L355 V376	Q305-C358 CarbonylContact C-O 3.59Å; Q305-C358 WeakPolarHBondContact CA-O 3.35Å; K306-C358 PolarHBondContact N-O 3Å; K306-C358 PolarHBondContact O-N 2.86Å; L355-C358 HydrophobicContact CB-CB 3.85Å; L355-C358 HydrophobicContact CD1-CB 3.72Å; L355-C358 HydrophobicContact CG-CB 4.47Å; C358-V376 CarbonylContact C-O 3.58Å; C358-V376 WeakPolarHBondContact CA-O 3.18Å; C358-V376 VanDerWaalsContact CB-O 3.31Å; C358-V376 WeakPolarHBondContact CB-O 3.43Å
359	A	98.8	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.9	162.4	0	0	0	0	0	112.8	R303 I304 Q305 V375 V376 M380	R303-A359 HydrophobicContact CG-CB 4.01Å; I304-A359 CarbonylContact O-C 3.46Å; I304-A359 WeakPolarHBondContact O-CA 3.47Å; I304-A359 WeakPolarHBondContact O-CB 3.43Å; Q305-A359 HydrophobicContact CB-CB 3.76Å; A359-V375 WeakPolarHBondContact O-CA 2.81Å; A359-V376 HydrophobicContact CB-CG2 3.86Å; A359-V376 PolarHBondContact N-O 3.09Å; A359-V376 WeakPolarHBondContact O-CG2 3.26Å; A359-V376 PolarHBondContact O-N 3.05Å; A359-M380 HydrophobicContact CB-SD 3.64Å
360	V	98.7	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.9	168.1	-178.5	0	0	0	0	108.5	R303 I304 V345 C348 I372	R303-V360 WeakPolarHBondContact CA-O 3.38Å; I304-V360 PolarHBondContact N-O 3.04Å; I304-V360 PolarHBondContact O-N 3.44Å; V345-V360 HydrophobicContact CB-CG2 4.26Å; V345-V360 HydrophobicContact CG2-CG2 4.32Å; C348-V360 HydrophobicContact CB-CG2 3.48Å; C348-V360 VanDerWaalsContact CB-CG2 3.48Å; C348-V360 VanDerWaalsContact SG-CG2 3.53Å; V360-I372 HydrophobicContact CG1-CG1 4.37Å; V360-I372 HydrophobicContact CG1-CG2 3.7Å
361	K	98.3	Very high	97.9	Very high	64 Å²	64	36 Å²	36	28%	0.278	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.1	173	-56.7	180	-162.4	166.2	0	109.5	I302 T373 E374	I302-K361 WeakPolarHBondContact O-CA 3.4Å; K361-T373 PolarHBondContact O-N 2.77Å; K361-T373 PolarHBondContact O-OG1 2.61Å; K361-E374 HydrophobicContact CB-CB 4.36Å; K361-E374 HydrophobicContact CD-CB 4.27Å; K361-E374 WeakPolarHBondContact CD-OE2 3.26Å; K361-E374 WeakPolarHBondContact CE-OE2 3.43Å; K361-E374 PolarHBondContact N-O 3.23Å; K361-E374 IonicContact NZ-OE2 2.63Å; K361-E374 PolarHBondContact NZ-OE2 3.19Å
362	A	98.3	Very high	98	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.3	173.5	0	0	0	0	0	110.8	I302 W344 Y371 I372	I302-A362 HydrophobicContact CB-CB 4.5Å; I302-A362 PolarHBondContact N-O 2.74Å; I302-A362 PolarHBondContact O-N 2.57Å; W344-A362 HydrophobicContact CZ3-CB 4.04Å; A362-Y371 CarbonylContact C-O 3.39Å; A362-Y371 WeakPolarHBondContact CA-O 3.48Å; A362-Y371 WeakPolarHBondContact CB-O 3.19Å; A362-I372 HydrophobicContact CB-CG1 4.27Å
363	I	97.9	Very high	98	Very high	31 Å²	31	35 Å²	35	16%	0.159	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.4	169.3	-56.7	174.2	0	0	0	107	I296 S298 D370 Y371 T373	I296-I363 HydrophobicContact CB-CG2 4.05Å; I296-I363 HydrophobicContact CG2-CG2 3.78Å; S298-I363 WeakPolarHBondContact OG-CG2 3.36Å; I363-D370 CarbonylContact O-C 3.55Å; I363-D370 WeakPolarHBondContact O-CA 3.45Å; I363-Y371 PolarHBondContact N-O 2.69Å; I363-Y371 PolarHBondContact O-N 3.24Å; I363-T373 HydrophobicContact CD1-CG2 3.92Å; I363-T373 HydrophobicContact CG1-CG2 4.06Å
364	H	97.8	Very high	98.1	Very high	24 Å²	24	32.4 Å²	32.4	11%	0.111	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.1	169	-173.3	87.5	0	0	0	108.8	K299 Y300 I302 G368 K369 D370	K299-H364 WeakPolarHBondContact CB-O 3.46Å; K299-H364 PolarHBondContact N-O 2.69Å; Y300-H364 HydrophobicContact CD2-CB 3.67Å; Y300-H364 HydrophobicContact CE1-CB 4.41Å; Y300-H364 AromaticContact CE1-CD2 3.76Å; Y300-H364 HydrophobicContact CE2-CB 3.26Å; Y300-H364 AromaticContact CE2-CG 3.66Å; Y300-H364 HydrophobicContact CG-CB 4.4Å; Y300-H364 AromaticContact CZ-CD2 3.45Å; Y300-H364 VanDerWaalsContact CZ-CD2 3.45Å; Y300-H364 AromaticContact CZ-CG 3.53Å; Y300-H364 PolarHBondContact N-O 2.72Å; Y300-H364 PolarHBondContact O-N 3.48Å; Y300-H364 PolarHBondContact OH-CD2 3.2Å; I302-H364 HydrophobicContact CD1-CB 4.31Å; H364-G368 PolarHBondContact CE1-O 2.78Å; H364-K369 CarbonylContact C-O 3.49Å; H364-K369 WeakPolarHBondContact CA-O 3.12Å; H364-D370 IonicContact CE1-OD1 2.74Å; H364-D370 IonicContact CG-OD1 2.69Å; H364-D370 IonicContact ND1-OD1 2.69Å; H364-D370 PolarHBondContact ND1-OD1 3.26Å
365	G	97.2	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.1	-179.1	0	0	0	0	0	112.9	D367 G368 K369	G365-D367 WeakPolarHBondContact CA-OD1 3.32Å; G365-D367 PolarHBondContact O-N 3.28Å; G365-G368 PolarHBondContact O-N 2.86Å; G365-K369 PolarHBondContact N-O 2.7Å
366	K	96.5	Very high	98.1	Very high	129 Å²	129	32.4 Å²	32.4	56%	0.561	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.4	168.6	-65.6	-179.5	-148.3	148.2	0	113.2	D297 S298 K299 G368	D297-K366 PolarHBondContact O-N 2.99Å; D297-K366 WeakPolarHBondContact OD1-CE 3.22Å; D297-K366 IonicContact OD1-NZ 3.28Å; D297-K366 PolarHBondContact OD1-NZ 3.08Å; D297-K366 WeakPolarHBondContact OD2-CD 3.23Å; D297-K366 WeakPolarHBondContact OD2-CE 3.32Å; D297-K366 IonicContact OD2-NZ 3.81Å; D297-K366 PolarHBondContact OD2-NZ 3.32Å; S298-K366 WeakPolarHBondContact O-CE 3.29Å; K299-K366 HydrophobicContact CB-CG 3.95Å; K366-G368 PolarHBondContact O-N 2.87Å
367	D	96.8	Very high	98.1	Very high	84 Å²	84	30.8 Å²	30.8	45%	0.449	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2	168.1	76.6	-31.5	0	0	0	113.4	G365 K369 Y371	G365-D367 WeakPolarHBondContact CA-OD1 3.32Å; G365-D367 PolarHBondContact O-N 3.28Å; D367-K369 PolarHBondContact OD1-N 3.46Å; D367-K369 WeakPolarHBondContact OD2-CD 3.28Å; D367-K369 WeakPolarHBondContact OD2-CE 3.14Å; D367-K369 WeakPolarHBondContact OD2-CG 3.35Å; D367-K369 IonicContact OD2-NZ 3.4Å; D367-K369 PolarHBondContact OD2-NZ 2.69Å; D367-Y371 PolarHBondContact OD2-OH 3.21Å
368	G	97.2	Very high	98.1	Very high	48 Å²	48	30.9 Å²	30.9	50%	0.495	16%	0.16	S	C	.	.	S	Bend	trans	83.6	6.5	177.8	0	0	0	0	0	114.9	H364 G365 K366	H364-G368 PolarHBondContact CE1-O 2.78Å; G365-G368 PolarHBondContact O-N 2.86Å; K366-G368 PolarHBondContact O-N 2.87Å
369	K	98.1	Very high	98	Very high	119 Å²	119	32.3 Å²	32.3	52%	0.517	17%	0.169	S	C	.	.			trans	-95.6	147.9	178.5	-60.1	-168.2	-158.8	102.5	0	112.3	H364 G365 D367 Y371	H364-K369 CarbonylContact C-O 3.49Å; H364-K369 WeakPolarHBondContact CA-O 3.12Å; G365-K369 PolarHBondContact N-O 2.7Å; D367-K369 PolarHBondContact OD1-N 3.46Å; D367-K369 WeakPolarHBondContact OD2-CD 3.28Å; D367-K369 WeakPolarHBondContact OD2-CE 3.14Å; D367-K369 WeakPolarHBondContact OD2-CG 3.35Å; D367-K369 IonicContact OD2-NZ 3.4Å; D367-K369 PolarHBondContact OD2-NZ 2.69Å; K369-Y371 HydrophobicContact CB-CD2 4.41Å; K369-Y371 HydrophobicContact CB-CE2 3.66Å
370	D	98.3	Very high	98	Very high	21 Å²	21	32.4 Å²	32.4	11%	0.112	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	148.4	168.6	-47.6	-50.8	0	0	0	110.6	P233 R340 W344 I363 H364	P233-D370 WeakPolarHBondContact CB-O 3.36Å; P233-D370 HydrophobicContact CG-CB 3.91Å; R340-D370 IonicContact CZ-OD2 2.99Å; R340-D370 IonicContact NE-OD2 2.72Å; R340-D370 PolarHBondContact NE-OD2 3.49Å; R340-D370 IonicContact NH2-OD2 2.81Å; R340-D370 PolarHBondContact NH2-OD2 3.24Å; W344-D370 HydrophobicContact CH2-CB 3.67Å; W344-D370 HydrophobicContact CZ2-CB 4.17Å; I363-D370 CarbonylContact O-C 3.55Å; I363-D370 WeakPolarHBondContact O-CA 3.45Å; H364-D370 IonicContact CE1-OD1 2.74Å; H364-D370 IonicContact CG-OD1 2.69Å; H364-D370 IonicContact ND1-OD1 2.69Å; H364-D370 PolarHBondContact ND1-OD1 3.26Å
371	Y	98.6	Very high	97.8	Very high	49 Å²	49	36 Å²	36	19%	0.192	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	104	179.1	-64	-88.3	0	0	0	110	I235 I296 A362 I363 D367 K369 T373	I235-Y371 HydrophobicContact CG1-CD1 4.13Å; I296-Y371 HydrophobicContact CD1-CD1 3.84Å; I296-Y371 HydrophobicContact CD1-CD2 3.91Å; I296-Y371 HydrophobicContact CD1-CE1 3.75Å; I296-Y371 HydrophobicContact CD1-CE2 3.83Å; I296-Y371 HydrophobicContact CD1-CG 3.9Å; I296-Y371 HydrophobicContact CG1-CD1 4.4Å; I296-Y371 HydrophobicContact CG1-CD2 3.95Å; I296-Y371 HydrophobicContact CG1-CE2 4.29Å; I296-Y371 HydrophobicContact CG1-CG 4Å; I296-Y371 HydrophobicContact CG2-CD2 3.83Å; I296-Y371 HydrophobicContact CG2-CE2 3.88Å; A362-Y371 CarbonylContact C-O 3.39Å; A362-Y371 WeakPolarHBondContact CA-O 3.48Å; A362-Y371 WeakPolarHBondContact CB-O 3.19Å; I363-Y371 PolarHBondContact N-O 2.69Å; I363-Y371 PolarHBondContact O-N 3.24Å; D367-Y371 PolarHBondContact OD2-OH 3.21Å; K369-Y371 HydrophobicContact CB-CD2 4.41Å; K369-Y371 HydrophobicContact CB-CE2 3.66Å; Y371-T373 WeakPolarHBondContact O-CG2 3.47Å
372	I	98.8	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.1	174.8	-61.8	171	0	0	0	109	L220 F232 P233 L234 I235 W344 V360 A362	L220-I372 HydrophobicContact CD1-CG2 4.44Å; F232-I372 HydrophobicContact CD1-CD1 4.12Å; F232-I372 HydrophobicContact CD2-CD1 3.71Å; F232-I372 HydrophobicContact CE1-CD1 4.01Å; F232-I372 HydrophobicContact CE2-CD1 3.59Å; F232-I372 HydrophobicContact CG-CD1 3.98Å; F232-I372 HydrophobicContact CZ-CD1 3.75Å; F232-I372 HydrophobicContact CZ-CG2 4.3Å; P233-I372 PolarHBondContact O-N 3.18Å; L234-I372 HydrophobicContact CD1-CB 4.3Å; L234-I372 HydrophobicContact CD1-CG2 4.17Å; I235-I372 WeakPolarHBondContact CB-O 3.44Å; I235-I372 VanDerWaalsContact CG2-O 3.32Å; I235-I372 WeakPolarHBondContact CG2-O 3.46Å; I235-I372 PolarHBondContact N-O 3.34Å; W344-I372 HydrophobicContact CB-CD1 4.45Å; W344-I372 HydrophobicContact CD2-CD1 3.81Å; W344-I372 HydrophobicContact CD2-CG1 4.31Å; W344-I372 HydrophobicContact CE3-CD1 4.32Å; W344-I372 HydrophobicContact CE3-CG1 4.35Å; W344-I372 HydrophobicContact CG-CD1 3.86Å; V360-I372 HydrophobicContact CG1-CG1 4.37Å; V360-I372 HydrophobicContact CG1-CG2 3.7Å; A362-I372 HydrophobicContact CB-CG1 4.27Å
373	T	98.2	Very high	97.6	Very high	18 Å²	18	35.3 Å²	35.3	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-25	-170.4	59.7	0	0	0	0	115.9	I235 K361 I363 Y371	I235-T373 HydrophobicContact CB-CG2 4.26Å; I235-T373 HydrophobicContact CD1-CG2 3.91Å; I235-T373 HydrophobicContact CG2-CG2 4.1Å; K361-T373 PolarHBondContact O-N 2.77Å; K361-T373 PolarHBondContact O-OG1 2.61Å; I363-T373 HydrophobicContact CD1-CG2 3.92Å; I363-T373 HydrophobicContact CG1-CG2 4.06Å; Y371-T373 WeakPolarHBondContact O-CG2 3.47Å
374	E	97.9	Very high	97.4	Very high	22 Å²	22	34.8 Å²	34.8	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	141.4	-175.8	-162	174.2	-139.8	0	0	110.1	K213 K267 K361 V376	K213-E374 WeakPolarHBondContact CD-OE1 3.31Å; K213-E374 IonicContact NZ-OE1 3.76Å; K213-E374 PolarHBondContact NZ-OE1 3.4Å; K267-E374 IonicContact NZ-OE1 2.64Å; K361-E374 HydrophobicContact CB-CB 4.36Å; K361-E374 HydrophobicContact CD-CB 4.27Å; K361-E374 WeakPolarHBondContact CD-OE2 3.26Å; K361-E374 WeakPolarHBondContact CE-OE2 3.43Å; K361-E374 PolarHBondContact N-O 3.23Å; K361-E374 IonicContact NZ-OE2 2.63Å; K361-E374 PolarHBondContact NZ-OE2 3.19Å; E374-V376 HydrophobicContact CG-CG1 4.22Å
375	V	98.3	Very high	97.2	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142	161.2	62.9	0	0	0	0	108.5	A216 L220 C348 I351 L355 A359	A216-V375 HydrophobicContact CB-CG1 4.19Å; L220-V375 HydrophobicContact CD1-CB 4.38Å; L220-V375 HydrophobicContact CD1-CG1 4.21Å; L220-V375 HydrophobicContact CD2-CB 4.1Å; L220-V375 HydrophobicContact CD2-CG1 3.89Å; L220-V375 HydrophobicContact CG-CG1 4.26Å; C348-V375 HydrophobicContact CB-CG2 4.02Å; I351-V375 HydrophobicContact CD1-CG1 3.93Å; I351-V375 HydrophobicContact CD1-CG2 4.46Å; L355-V375 HydrophobicContact CD1-CG2 4.37Å; A359-V375 WeakPolarHBondContact O-CA 2.81Å
376	V	97.8	Very high	97.1	Very high	21 Å²	21	45.9 Å²	45.9	13%	0.127	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.9	176.3	-67.7	0	0	0	0	110.4	C358 A359 E374 M380	C358-V376 CarbonylContact C-O 3.58Å; C358-V376 WeakPolarHBondContact CA-O 3.18Å; C358-V376 VanDerWaalsContact CB-O 3.31Å; C358-V376 WeakPolarHBondContact CB-O 3.43Å; A359-V376 HydrophobicContact CB-CG2 3.86Å; A359-V376 PolarHBondContact N-O 3.09Å; A359-V376 WeakPolarHBondContact O-CG2 3.26Å; A359-V376 PolarHBondContact O-N 3.05Å; E374-V376 HydrophobicContact CG-CG1 4.22Å; V376-M380 HydrophobicContact CB-CB 4.46Å; V376-M380 HydrophobicContact CG2-CB 3.73Å
377	G	98.4	Very high	97.2	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	24%	0.237	C	C	.	.			trans	-92.7	-147.9	179	0	0	0	0	0	113.9	I357 S379 M380	I357-G377 CarbonylContact O-C 3.57Å; I357-G377 WeakPolarHBondContact O-CA 2.96Å; G377-S379 PolarHBondContact O-N 2.83Å; G377-M380 PolarHBondContact O-N 2.95Å
378	S	98.5	Very high	97.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.1	-173.9	61.9	0	0	0	0	115.9	I173 R174 N202 I357 M380	I173-S378 CarbonylContact O-C 3.55Å; I173-S378 VanDerWaalsContact O-CB 3.25Å; I173-S378 WeakPolarHBondContact O-CB 3.21Å; I173-S378 PolarHBondContact O-OG 2.87Å; R174-S378 PolarHBondContact NH1-O 3.46Å; N202-S378 PolarHBondContact N-OG 3.02Å; N202-S378 PolarHBondContact ND2-N 3.35Å; I357-S378 PolarHBondContact O-N 3.15Å; S378-M380 VanDerWaalsContact C-N 3.32Å
379	S	98	Very high	97.2	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.203	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	17.6	172.8	57.2	0	0	0	0	115.1	R174 Q175 H176 G377	R174-S379 WeakPolarHBondContact O-CA 3.16Å; R174-S379 WeakPolarHBondContact O-CB 3.49Å; Q175-S379 VanDerWaalsContact C-CB 3.5Å; Q175-S379 VanDerWaalsContact O-CB 3.22Å; Q175-S379 WeakPolarHBondContact O-CB 3.38Å; H176-S379 PolarHBondContact CE1-O 3.49Å; H176-S379 WeakPolarHBondContact ND1-CB 3.3Å; H176-S379 PolarHBondContact ND1-OG 3.08Å; G377-S379 PolarHBondContact O-N 2.83Å
380	M	97.6	Very high	97.2	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.2	131.9	168.9	71.5	-177.4	-164.7	0	0	111	R174 R303 Q305 I307 I357 A359 V376 G377 S378	R174-M380 PolarHBondContact NH1-O 2.96Å; R174-M380 PolarHBondContact NH2-O 3.19Å; R303-M380 PolarHBondContact NH2-SD 2.91Å; Q305-M380 HydrophobicContact CB-CE 3.92Å; Q305-M380 HydrophobicContact CB-SD 4.12Å; Q305-M380 HydrophobicContact CG-CE 4.42Å; I307-M380 HydrophobicContact CD1-CE 4.02Å; I307-M380 HydrophobicContact CG1-CE 3.78Å; I357-M380 HydrophobicContact CG2-CE 3.54Å; I357-M380 HydrophobicContact CG2-CG 4.24Å; I357-M380 HydrophobicContact CG2-SD 4.05Å; A359-M380 HydrophobicContact CB-SD 3.64Å; V376-M380 HydrophobicContact CB-CB 4.46Å; V376-M380 HydrophobicContact CG2-CB 3.73Å; G377-M380 PolarHBondContact O-N 2.95Å; S378-M380 VanDerWaalsContact C-N 3.32Å
381	P	96.2	Very high	97.2	Very high	77 Å²	77	40 Å²	40	50%	0.5	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-65.6	146.4	173.7	27.7	-34.3	0	0	0	109.6	R303	R303-P381 PolarHBondContact NH1-O 2.89Å; R303-P381 PolarHBondContact NH2-O 3.27Å
382	L	96.6	Very high	97.2	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.11	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.4	147.6	171.8	-56.2	-179.9	0	0	0	109.1	Q387 D390 R391 I394	L382-Q387 HydrophobicContact CB-CB 4.2Å; L382-Q387 HydrophobicContact CB-CG 3.92Å; L382-D390 HydrophobicContact CD1-CB 3.92Å; L382-D390 HydrophobicContact CD2-CB 3.9Å; L382-D390 HydrophobicContact CG-CB 4.38Å; L382-R391 HydrophobicContact CD1-CB 4.43Å; L382-R391 HydrophobicContact CD1-CG 3.43Å; L382-R391 VanDerWaalsContact CD1-CG 3.43Å; L382-I394 HydrophobicContact CD1-CD1 4.45Å; L382-I394 HydrophobicContact CD2-CD1 4.2Å
383	V	94.8	Very high	97.2	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.176	23%	0.234	C	C	.	.			trans	-144.3	165.4	-171.5	-64	0	0	0	0	111.1	Y314 L332	Y314-V383 HydrophobicContact CD2-CG2 3.78Å; Y314-V383 HydrophobicContact CE2-CG2 3.92Å; Y314-V383 HydrophobicContact CG-CG2 4.22Å; Y314-V383 PolarHBondContact OH-O 2.97Å; L332-V383 HydrophobicContact CD2-CB 3.84Å; L332-V383 HydrophobicContact CD2-CG2 4.33Å
384	G	93.6	Very high	97.2	Very high	21 Å²	21	42.5 Å²	42.5	22%	0.216	23%	0.229	C	C	.	.	S	Bend	trans	76	-163.1	-176.5	0	0	0	0	0	112.2	L332 Q387	L332-G384 VanDerWaalsContact CD2-N 3.26Å; G384-Q387 WeakPolarHBondContact O-CG 3.47Å; G384-Q387 PolarHBondContact O-NE2 2.81Å
385	E	94.1	Very high	97.2	Very high	186 Å²	186	41.4 Å²	41.4	87%	0.869	22%	0.224	S	C	*	.	S	Bend	trans	-87	-31.6	-178.8	-58.5	-176.6	145	0	0	111.5	Q387	E385-Q387 PolarHBondContact O-N 2.93Å
386	H	95.4	Very high	97.3	Very high	72 Å²	72	43.7 Å²	43.7	33%	0.333	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	17	-177.8	-57.2	99.3	0	0	0	115	K312 Q334 A388 E389 D390	K312-H386 HydrophobicContact CD-CB 4.43Å; Q334-H386 PolarHBondContact OE1-CE1 3.32Å; Q334-H386 PolarHBondContact OE1-ND1 3.32Å; H386-A388 PolarHBondContact O-N 2.87Å; H386-E389 HydrophobicContact CB-CB 4.37Å; H386-E389 IonicContact CD2-OE2 3.75Å; H386-E389 PolarHBondContact CD2-OE2 3.13Å; H386-E389 IonicContact CG-OE2 2.74Å; H386-E389 WeakPolarHBondContact O-CB 3.44Å; H386-E389 PolarHBondContact O-N 2.98Å; H386-D390 PolarHBondContact O-N 3.43Å
387	Q	96.9	Very high	97.3	Very high	72 Å²	72	43.8 Å²	43.8	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-30	-179.7	-65.4	178.5	47.8	0	0	113.7	L382 G384 E385 R391	L382-Q387 HydrophobicContact CB-CB 4.2Å; L382-Q387 HydrophobicContact CB-CG 3.92Å; G384-Q387 WeakPolarHBondContact O-CG 3.47Å; G384-Q387 PolarHBondContact O-NE2 2.81Å; E385-Q387 PolarHBondContact O-N 2.93Å; Q387-R391 WeakPolarHBondContact O-CG 3.36Å; Q387-R391 PolarHBondContact O-N 2.92Å; Q387-R391 VanDerWaalsContact O-N 3.1Å
388	A	96.9	Very high	97.3	Very high	62 Å²	62	43.7 Å²	43.7	51%	0.512	23%	0.234	S	C	.	.	H	α-helix	trans	-69.9	-38.4	175.6	0	0	0	0	0	111.9	H386 Q392	H386-A388 PolarHBondContact O-N 2.87Å; A388-Q392 PolarHBondContact O-N 2.81Å; A388-Q392 VanDerWaalsContact O-N 3.14Å
389	E	98	Very high	97.3	Very high	82 Å²	82	44.8 Å²	44.8	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-68.5	-47.1	174.7	-171.1	-155.8	124.3	0	0	110.8	K312 H386 R391 Q392 L393	K312-E389 WeakPolarHBondContact CE-OE1 3.47Å; K312-E389 IonicContact NZ-OE1 2.81Å; K312-E389 PolarHBondContact NZ-OE1 3.17Å; H386-E389 HydrophobicContact CB-CB 4.37Å; H386-E389 IonicContact CD2-OE2 3.75Å; H386-E389 PolarHBondContact CD2-OE2 3.13Å; H386-E389 IonicContact CG-OE2 2.74Å; H386-E389 WeakPolarHBondContact O-CB 3.44Å; H386-E389 PolarHBondContact O-N 2.98Å; E389-R391 VanDerWaalsContact C-N 3.27Å; E389-R391 PolarHBondContact O-N 2.91Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.32Å; E389-Q392 WeakPolarHBondContact O-CB 3.35Å; E389-Q392 PolarHBondContact O-N 2.86Å; E389-L393 HydrophobicContact CG-CD1 4.34Å; E389-L393 WeakPolarHBondContact O-CG 3.4Å; E389-L393 PolarHBondContact O-N 2.74Å
390	D	98.4	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-38.7	175.2	-75.9	-9.2	0	0	0	111.9	Q305 I307 K312 L382 H386 I394	Q305-D390 VanDerWaalsContact NE2-CG 3.33Å; Q305-D390 PolarHBondContact NE2-OD1 2.75Å; Q305-D390 PolarHBondContact NE2-OD2 2.84Å; I307-D390 HydrophobicContact CD1-CB 3.84Å; K312-D390 IonicContact NZ-OD1 3.39Å; K312-D390 PolarHBondContact NZ-OD1 3.38Å; L382-D390 HydrophobicContact CD1-CB 3.92Å; L382-D390 HydrophobicContact CD2-CB 3.9Å; L382-D390 HydrophobicContact CG-CB 4.38Å; H386-D390 PolarHBondContact O-N 3.43Å; D390-I394 VanDerWaalsContact O-CG1 3.27Å; D390-I394 WeakPolarHBondContact O-CG1 3.49Å; D390-I394 PolarHBondContact O-N 2.7Å
391	R	98.3	Very high	97.3	Very high	62 Å²	62	48.8 Å²	48.8	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-39.5	172.2	-75.6	-173.7	-68.1	-93.1	1.5	112.6	W114 L117 L382 Q387 E389 I394 A395	W114-R391 HydrophobicContact CH2-CB 4.24Å; W114-R391 HydrophobicContact CH2-CG 4.09Å; W114-R391 HydrophobicContact CZ2-CG 4.34Å; W114-R391 HydrophobicContact CZ3-CB 4.4Å; W114-R391 WeakPolarHBondContact CZ3-O 3.24Å; L117-R391 HydrophobicContact CD1-CB 3.76Å; L382-R391 HydrophobicContact CD1-CB 4.43Å; L382-R391 HydrophobicContact CD1-CG 3.43Å; L382-R391 VanDerWaalsContact CD1-CG 3.43Å; Q387-R391 WeakPolarHBondContact O-CG 3.36Å; Q387-R391 PolarHBondContact O-N 2.92Å; Q387-R391 VanDerWaalsContact O-N 3.1Å; E389-R391 VanDerWaalsContact C-N 3.27Å; E389-R391 PolarHBondContact O-N 2.91Å; R391-I394 PolarHBondContact O-N 2.98Å; R391-A395 WeakPolarHBondContact O-CB 3.44Å; R391-A395 PolarHBondContact O-N 2.95Å
392	Q	98.3	Very high	97.4	Very high	62 Å²	62	45.5 Å²	45.5	29%	0.29	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-42.8	176.9	-172.1	57.2	52.4	0	0	111.4	A388 E389 I394 A395 D396	A388-Q392 PolarHBondContact O-N 2.81Å; A388-Q392 VanDerWaalsContact O-N 3.14Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.32Å; E389-Q392 WeakPolarHBondContact O-CB 3.35Å; E389-Q392 PolarHBondContact O-N 2.86Å; Q392-I394 VanDerWaalsContact C-N 3.33Å; Q392-I394 PolarHBondContact O-N 3.15Å; Q392-A395 PolarHBondContact O-N 3.09Å; Q392-A395 VanDerWaalsContact O-N 3.13Å; Q392-D396 PolarHBondContact NE2-OD2 3.22Å; Q392-D396 PolarHBondContact O-N 2.68Å
393	L	98.6	Very high	97.5	Very high	56 Å²	56	46.1 Å²	46.1	29%	0.293	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-42.4	174	-70.5	167.2	0	0	0	111.8	I307 D310 E389 L397	I307-L393 HydrophobicContact CG2-CB 3.86Å; D310-L393 HydrophobicContact CB-CD1 3.86Å; D310-L393 HydrophobicContact CB-CD2 4.34Å; D310-L393 WeakPolarHBondContact OD1-CD1 3.42Å; E389-L393 HydrophobicContact CG-CD1 4.34Å; E389-L393 WeakPolarHBondContact O-CG 3.4Å; E389-L393 PolarHBondContact O-N 2.74Å; L393-L397 VanDerWaalsContact O-CB 3.22Å; L393-L397 WeakPolarHBondContact O-CB 3.44Å; L393-L397 PolarHBondContact O-N 3.43Å
394	I	98.8	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-41.7	174.2	-67.1	169	0	0	0	111.3	W114 L172 I307 I357 L382 D390 R391 Q392 L397 V398	W114-I394 HydrophobicContact CH2-CB 3.76Å; W114-I394 HydrophobicContact CH2-CD1 4.14Å; W114-I394 HydrophobicContact CH2-CG2 3.49Å; W114-I394 VanDerWaalsContact CH2-CG2 3.49Å; W114-I394 HydrophobicContact CZ3-CB 3.87Å; W114-I394 HydrophobicContact CZ3-CG2 3.61Å; L172-I394 HydrophobicContact CD1-CG2 3.79Å; L172-I394 HydrophobicContact CD2-CG2 3.72Å; L172-I394 HydrophobicContact CG-CG2 4.43Å; I307-I394 HydrophobicContact CD1-CD1 4.37Å; I307-I394 HydrophobicContact CD1-CG1 4.31Å; I307-I394 HydrophobicContact CG2-CG1 3.68Å; I357-I394 HydrophobicContact CD1-CB 4.47Å; I357-I394 HydrophobicContact CD1-CD1 4.04Å; I357-I394 HydrophobicContact CD1-CG1 3.77Å; I357-I394 HydrophobicContact CD1-CG2 3.99Å; L382-I394 HydrophobicContact CD1-CD1 4.45Å; L382-I394 HydrophobicContact CD2-CD1 4.2Å; D390-I394 VanDerWaalsContact O-CG1 3.27Å; D390-I394 WeakPolarHBondContact O-CG1 3.49Å; D390-I394 PolarHBondContact O-N 2.7Å; R391-I394 PolarHBondContact O-N 2.98Å; Q392-I394 VanDerWaalsContact C-N 3.33Å; Q392-I394 PolarHBondContact O-N 3.15Å; I394-L397 PolarHBondContact O-N 3.49Å; I394-V398 VanDerWaalsContact O-CG2 3.3Å; I394-V398 WeakPolarHBondContact O-CG2 3.36Å; I394-V398 PolarHBondContact O-N 3.18Å
395	A	98.6	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-40.8	178.6	0	0	0	0	0	112.5	W114 L117 L118 R391 Q392 V398 L399	W114-A395 HydrophobicContact CZ3-CB 4.46Å; L117-A395 HydrophobicContact CB-CB 3.96Å; L118-A395 HydrophobicContact CD2-CB 4.08Å; L118-A395 HydrophobicContact CG-CB 4.26Å; R391-A395 WeakPolarHBondContact O-CB 3.44Å; R391-A395 PolarHBondContact O-N 2.95Å; Q392-A395 PolarHBondContact O-N 3.09Å; Q392-A395 VanDerWaalsContact O-N 3.13Å; A395-V398 PolarHBondContact O-N 3.39Å; A395-L399 WeakPolarHBondContact O-CB 3.35Å; A395-L399 PolarHBondContact O-N 3.24Å
396	D	98.5	Very high	97.5	Very high	58 Å²	58	41.2 Å²	41.2	31%	0.31	22%	0.218	S	C	.	.	H	α-helix	trans	-74.5	-29.5	176.4	-73.3	-47.1	0	0	0	112.8	K121 Q392 L399 A400	K121-D396 IonicContact NZ-OD1 2.67Å; K121-D396 PolarHBondContact NZ-OD1 2.94Å; K121-D396 IonicContact NZ-OD2 2.65Å; Q392-D396 PolarHBondContact NE2-OD2 3.22Å; Q392-D396 PolarHBondContact O-N 2.68Å; D396-L399 WeakPolarHBondContact O-CB 3.37Å; D396-L399 PolarHBondContact O-N 3.46Å; D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 3.49Å
397	L	98.7	Very high	97.3	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-42.2	169.9	179.6	60.2	0	0	0	112.3	I201 I307 D356 I357 L393 I394 A400 K401	I201-L397 HydrophobicContact CD1-CG 4.17Å; I307-L397 HydrophobicContact CG2-CD2 4.26Å; D356-L397 HydrophobicContact CB-CD2 4.3Å; I357-L397 HydrophobicContact CG1-CD2 3.96Å; L393-L397 VanDerWaalsContact O-CB 3.22Å; L393-L397 WeakPolarHBondContact O-CB 3.44Å; L393-L397 PolarHBondContact O-N 3.43Å; I394-L397 PolarHBondContact O-N 3.49Å; L397-A400 PolarHBondContact O-N 2.94Å; L397-K401 WeakPolarHBondContact O-CG 3.26Å; L397-K401 PolarHBondContact O-N 3.01Å
398	V	98.7	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-48	171	170.9	0	0	0	0	110.4	L104 F170 L172 I201 I394 A395 A400 K401 M402	L104-V398 HydrophobicContact CD1-CG1 3.8Å; L104-V398 HydrophobicContact CD2-CG1 3.79Å; L104-V398 HydrophobicContact CG-CG1 4.45Å; F170-V398 HydrophobicContact CD1-CG1 4.3Å; F170-V398 HydrophobicContact CE1-CG1 4.37Å; L172-V398 HydrophobicContact CB-CG2 4.15Å; L172-V398 HydrophobicContact CD1-CG2 4.03Å; L172-V398 HydrophobicContact CD2-CG2 4.09Å; L172-V398 HydrophobicContact CG-CG2 4.3Å; I201-V398 HydrophobicContact CD1-CB 4.17Å; I201-V398 HydrophobicContact CD1-CG2 3.63Å; I394-V398 VanDerWaalsContact O-CG2 3.3Å; I394-V398 WeakPolarHBondContact O-CG2 3.36Å; I394-V398 PolarHBondContact O-N 3.18Å; A395-V398 PolarHBondContact O-N 3.39Å; V398-A400 VanDerWaalsContact C-N 3.34Å; V398-A400 PolarHBondContact O-N 3.38Å; V398-K401 PolarHBondContact O-N 3.41Å; V398-M402 HydrophobicContact CG1-CG 4.27Å; V398-M402 HydrophobicContact CG1-SD 3.84Å; V398-M402 WeakPolarHBondContact O-CG 3.28Å; V398-M402 PolarHBondContact O-N 3.01Å
399	L	98.3	Very high	96.5	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-45.8	177.3	-177.9	65.9	0	0	0	111.8	K121 K122 V123 I129 A395 D396 M402 N403	K121-L399 HydrophobicContact CB-CD1 4.08Å; K121-L399 HydrophobicContact CB-CD2 4.14Å; K121-L399 HydrophobicContact CD-CD2 3.9Å; K121-L399 HydrophobicContact CG-CD2 4.33Å; K122-L399 WeakPolarHBondContact O-CD1 3.38Å; V123-L399 HydrophobicContact CG2-CD1 4.34Å; I129-L399 HydrophobicContact CD1-CD1 3.72Å; A395-L399 WeakPolarHBondContact O-CB 3.35Å; A395-L399 PolarHBondContact O-N 3.24Å; D396-L399 WeakPolarHBondContact O-CB 3.37Å; D396-L399 PolarHBondContact O-N 3.46Å; L399-M402 PolarHBondContact O-N 3.15Å; L399-N403 PolarHBondContact O-N 3.05Å; L399-N403 PolarHBondContact O-ND2 3.46Å
400	A	98.3	Very high	96	Very high	57 Å²	57	47.7 Å²	47.7	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-44.4	178.1	0	0	0	0	0	112.3	D396 L397 V398 N403 Q404	D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 3.49Å; L397-A400 PolarHBondContact O-N 2.94Å; V398-A400 VanDerWaalsContact C-N 3.34Å; V398-A400 PolarHBondContact O-N 3.38Å; A400-N403 PolarHBondContact O-N 3.05Å; A400-Q404 PolarHBondContact O-N 3.03Å
401	K	98.2	Very high	95.3	Very high	57 Å²	57	54.3 Å²	54.3	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-39.3	177.7	-69.9	-76.4	178.5	130.3	0	112.5	F170 I201 D356 L397 V398 Q404 L405	F170-K401 HydrophobicContact CE2-CB 4.01Å; F170-K401 HydrophobicContact CZ-CB 3.81Å; I201-K401 HydrophobicContact CD1-CB 4.17Å; I201-K401 HydrophobicContact CD1-CG 3.95Å; I201-K401 HydrophobicContact CG1-CG 4.28Å; D356-K401 VanDerWaalsContact OD1-CE 3.3Å; D356-K401 WeakPolarHBondContact OD1-CE 3.34Å; D356-K401 IonicContact OD1-NZ 2.7Å; D356-K401 PolarHBondContact OD1-NZ 3.08Å; D356-K401 IonicContact OD2-NZ 2.65Å; D356-K401 PolarHBondContact OD2-NZ 3.06Å; L397-K401 WeakPolarHBondContact O-CG 3.26Å; L397-K401 PolarHBondContact O-N 3.01Å; V398-K401 PolarHBondContact O-N 3.41Å; K401-Q404 PolarHBondContact O-N 3.1Å; K401-L405 WeakPolarHBondContact O-CG 3.19Å; K401-L405 PolarHBondContact O-N 3.31Å
402	M	98	Very high	94.5	Very high	8 Å²	8	54 Å²	54	4%	0.039	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-37.9	174.6	-69.6	-177.6	80.1	0	0	112.3	K102 L104 V123 F170 V398 L399 L405 A406	K102-M402 HydrophobicContact CB-CE 3.73Å; L104-M402 HydrophobicContact CB-CE 4.43Å; L104-M402 HydrophobicContact CB-SD 4.36Å; L104-M402 HydrophobicContact CD1-SD 4.26Å; V123-M402 HydrophobicContact CG1-CB 4.33Å; V123-M402 HydrophobicContact CG2-CB 3.77Å; V123-M402 HydrophobicContact CG2-CE 4.28Å; V123-M402 HydrophobicContact CG2-SD 4.46Å; F170-M402 HydrophobicContact CB-CE 3.93Å; F170-M402 HydrophobicContact CB-CG 3.89Å; F170-M402 HydrophobicContact CB-SD 4.04Å; F170-M402 HydrophobicContact CD1-CG 4.18Å; F170-M402 HydrophobicContact CD2-CG 3.79Å; F170-M402 HydrophobicContact CE2-CG 4.36Å; F170-M402 HydrophobicContact CG-CG 3.68Å; F170-M402 HydrophobicContact CG-SD 4.29Å; V398-M402 HydrophobicContact CG1-CG 4.27Å; V398-M402 HydrophobicContact CG1-SD 3.84Å; V398-M402 WeakPolarHBondContact O-CG 3.28Å; V398-M402 PolarHBondContact O-N 3.01Å; L399-M402 PolarHBondContact O-N 3.15Å; M402-L405 PolarHBondContact O-N 3.43Å; M402-A406 PolarHBondContact O-N 3.08Å
403	N	97.3	Very high	93	Very high	35 Å²	35	56.9 Å²	56.9	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-49	172.9	-81.6	-74	0	0	0	111.7	H124 L399 A400 L405 A406 E407	H124-N403 PolarHBondContact N-OD1 3.16Å; L399-N403 PolarHBondContact O-N 3.05Å; L399-N403 PolarHBondContact O-ND2 3.46Å; A400-N403 PolarHBondContact O-N 3.05Å; N403-L405 PolarHBondContact O-N 3.49Å; N403-A406 PolarHBondContact O-N 3.18Å; N403-A406 VanDerWaalsContact O-N 3.11Å; N403-E407 WeakPolarHBondContact O-CG 3.43Å; N403-E407 PolarHBondContact O-N 3.15Å
404	Q	95.7	Very high	91	Very high	82 Å²	82	63.3 Å²	63.3	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-33.3	177.5	-175.3	178.8	61.8	0	0	112.6	A400 K401 R408	A400-Q404 PolarHBondContact O-N 3.03Å; K401-Q404 PolarHBondContact O-N 3.1Å; Q404-R408 VanDerWaalsContact CD-NH2 3.28Å; Q404-R408 VanDerWaalsContact O-CG 3.24Å; Q404-R408 WeakPolarHBondContact O-CG 3.49Å; Q404-R408 PolarHBondContact O-N 2.96Å
405	L	94.4	Very high	88.7	Confident	42 Å²	42	74.1 Å²	74.1	22%	0.22	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-44.5	174.5	-73	166.6	0	0	0	112.4	F170 P199 K401 M402 N403 E407 R408 E409	F170-L405 HydrophobicContact CD2-CD1 3.54Å; F170-L405 HydrophobicContact CE2-CD1 3.46Å; F170-L405 VanDerWaalsContact CE2-CD1 3.46Å; P199-L405 HydrophobicContact CB-CD1 3.51Å; P199-L405 HydrophobicContact CG-CD1 3.79Å; P199-L405 HydrophobicContact CG-CD2 4.37Å; K401-L405 WeakPolarHBondContact O-CG 3.19Å; K401-L405 PolarHBondContact O-N 3.31Å; M402-L405 PolarHBondContact O-N 3.43Å; N403-L405 PolarHBondContact O-N 3.49Å; L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 3.07Å; L405-R408 CarbonylContact O-C 3.53Å; L405-R408 WeakPolarHBondContact O-CB 3.3Å; L405-R408 PolarHBondContact O-N 3.38Å; L405-E409 WeakPolarHBondContact O-CG 3.48Å; L405-E409 PolarHBondContact O-N 3.19Å
406	A	92.6	Very high	86.1	Confident	9 Å²	9	79.6 Å²	79.6	7%	0.074	42%	0.418	C	S	.	.	H	α-helix	trans	-61.1	-36.7	175.5	0	0	0	0	0	112.2	V123 H124 M402 N403 E409 A410	V123-A406 HydrophobicContact CG1-CB 3.69Å; H124-A406 HydrophobicContact CB-CB 3.99Å; M402-A406 PolarHBondContact O-N 3.08Å; N403-A406 PolarHBondContact O-N 3.18Å; N403-A406 VanDerWaalsContact O-N 3.11Å; A406-E409 PolarHBondContact O-N 3.03Å; A406-A410 WeakPolarHBondContact O-CB 3.44Å; A406-A410 PolarHBondContact O-N 2.9Å
407	E	91.6	Very high	83.6	Confident	92 Å²	92	82.5 Å²	82.5	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-38.4	171.8	-71.8	163.2	-165.4	0	0	112.4	N403 L405 N411	N403-E407 WeakPolarHBondContact O-CG 3.43Å; N403-E407 PolarHBondContact O-N 3.15Å; L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 3.07Å; E407-N411 WeakPolarHBondContact O-CB 3.44Å; E407-N411 PolarHBondContact O-N 3.08Å; E407-N411 PolarHBondContact O-ND2 3.43Å
408	R	90.2	Very high	80.9	Confident	149 Å²	149	87.1 Å²	87.1	56%	0.562	47%	0.467	S	S	*	.	H	α-helix	trans	-70.7	-37.6	174.5	-71.4	168.9	-173.5	-171.6	6.2	112.3	Q404 L405 A412	Q404-R408 VanDerWaalsContact CD-NH2 3.28Å; Q404-R408 VanDerWaalsContact O-CG 3.24Å; Q404-R408 WeakPolarHBondContact O-CG 3.49Å; Q404-R408 PolarHBondContact O-N 2.96Å; L405-R408 CarbonylContact O-C 3.53Å; L405-R408 WeakPolarHBondContact O-CB 3.3Å; L405-R408 PolarHBondContact O-N 3.38Å; R408-A412 WeakPolarHBondContact O-CB 3.41Å; R408-A412 PolarHBondContact O-N 3.41Å; R408-A412 VanDerWaalsContact O-N 3.13Å
409	E	87.8	Confident	78.3	Confident	114 Å²	114	93.8 Å²	93.8	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-45.8	172.4	-73.1	174.9	-169	0	0	110.8	K102 L405 A406 A412	K102-E409 VanDerWaalsContact NZ-CD 3.3Å; K102-E409 IonicContact NZ-OE1 2.68Å; K102-E409 PolarHBondContact NZ-OE1 3.22Å; K102-E409 IonicContact NZ-OE2 3.8Å; K102-E409 PolarHBondContact NZ-OE2 2.85Å; L405-E409 WeakPolarHBondContact O-CG 3.48Å; L405-E409 PolarHBondContact O-N 3.19Å; A406-E409 PolarHBondContact O-N 3.03Å; E409-A412 PolarHBondContact O-N 2.66Å
410	A	86.3	Confident	75.4	Confident	68 Å²	68	100.5 Å²	100.5	56%	0.562	53%	0.532	S	S	*	.	H	α-helix	trans	-68.5	-34	-179.5	0	0	0	0	0	113.8	A406	A406-A410 WeakPolarHBondContact O-CB 3.44Å; A406-A410 PolarHBondContact O-N 2.9Å
411	N	85.3	Confident	72.6	Confident	139 Å²	139	103 Å²	103	74%	0.743	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	0.4	178.5	-70.6	-65.2	0	0	0	114	E407	E407-N411 WeakPolarHBondContact O-CB 3.44Å; E407-N411 PolarHBondContact O-N 3.08Å; E407-N411 PolarHBondContact O-ND2 3.43Å
412	A	81.2	Confident	69.7	Low	56 Å²	56	106.1 Å²	106.1	46%	0.463	57%	0.573	S	S	.	*	S	Bend	trans	-70.9	131.3	178.7	0	0	0	0	0	111	R408 E409 Q414	R408-A412 WeakPolarHBondContact O-CB 3.41Å; R408-A412 PolarHBondContact O-N 3.41Å; R408-A412 VanDerWaalsContact O-N 3.13Å; E409-A412 PolarHBondContact O-N 2.66Å; A412-Q414 PolarHBondContact O-N 3.23Å
413	P	66.4	Low	66.7	Low	123 Å²	123	114.4 Å²	114.4	80%	0.799	61%	0.611	S	S	*	*			trans	-62.8	131.2	175.7	26.2	-33.6	0	0	0	110	R415	P413-R415 PolarHBondContact O-N 3.33Å
414	Q	57.3	Low	63.8	Low	191 Å²	191	116.4 Å²	116.4	89%	0.893	64%	0.64	S	S	*	*			trans	-58	114.2	-178.2	-72.6	-170.3	-9.8	0	0	110.6	A412 P416	A412-Q414 PolarHBondContact O-N 3.23Å; Q414-P416 WeakPolarHBondContact O-CD 3.37Å
415	R	49.3	Very low	60.8	Low	227 Å²	227	119.2 Å²	119.2	86%	0.857	66%	0.663	S	S	*	*			trans	-65.5	124.4	179.2	-156.2	-178.4	-152.1	178.9	7.7	108.6	P413 T417	P413-R415 PolarHBondContact O-N 3.33Å; R415-T417 PolarHBondContact O-N 3.36Å
416	P	44.5	Very low	57.8	Low	114 Å²	114	120.9 Å²	120.9	74%	0.74	69%	0.691	S	S	*	*			trans	-60.2	108.3	-179.8	-25.9	35.4	0	0	0	111.3	Q414 T418	Q414-P416 WeakPolarHBondContact O-CD 3.37Å; P416-T418 PolarHBondContact O-N 3.03Å
417	T	45.5	Very low	55	Low	119 Å²	119	130 Å²	130	73%	0.73	73%	0.732	S	S	*	*			trans	-75.1	92.2	169.4	44.3	0	0	0	0	108.6	R415 I419	R415-T417 PolarHBondContact O-N 3.36Å; T417-I419 PolarHBondContact O-N 3.11Å
418	T	42.1	Very low	52.1	Low	121 Å²	121	135.8 Å²	135.8	74%	0.742	76%	0.755	S	S	*	*			trans	-67.8	77.6	172.1	-50.8	0	0	0	0	110.2	P416 Q420	P416-T418 PolarHBondContact O-N 3.03Å; T418-Q420 VanDerWaalsContact C-N 3.28Å; T418-Q420 HydrophobicContact CG2-CG 4.31Å; T418-Q420 PolarHBondContact O-N 3.3Å
419	I	45.3	Very low	49.2	Very low	141 Å²	141	132.4 Å²	132.4	72%	0.723	77%	0.767	S	S	*	*			trans	-73.8	87.6	167.4	-56	175.6	0	0	0	106.7	T417 P421	T417-I419 PolarHBondContact O-N 3.11Å; I419-P421 VanDerWaalsContact O-CD 3.3Å; I419-P421 WeakPolarHBondContact O-CD 3.44Å
420	Q	37.4	Very low	46.4	Very low	166 Å²	166	136.1 Å²	136.1	78%	0.776	78%	0.784	S	S	*	*			trans	-67.5	121.1	165.9	-92.8	-175.4	-12.5	0	0	108.8	T418 S422	T418-Q420 VanDerWaalsContact C-N 3.28Å; T418-Q420 HydrophobicContact CG2-CG 4.31Å; T418-Q420 PolarHBondContact O-N 3.3Å; Q420-S422 PolarHBondContact O-N 3.49Å
421	P	37.7	Very low	43.7	Very low	109 Å²	109	139.9 Å²	139.9	71%	0.708	80%	0.8	S	S	*	*			trans	-70.8	118.9	171.9	-14.1	30.2	0	0	0	109	I419 Q423	I419-P421 VanDerWaalsContact O-CD 3.3Å; I419-P421 WeakPolarHBondContact O-CD 3.44Å; P421-Q423 VanDerWaalsContact C-N 3.33Å; P421-Q423 PolarHBondContact O-N 3.26Å
422	S	37.1	Very low	41	Very low	123 Å²	123	140.3 Å²	140.3	86%	0.86	81%	0.808	S	S	*	*			trans	-72.6	85.5	174.9	58.2	0	0	0	0	110.5	Q420 G424	Q420-S422 PolarHBondContact O-N 3.49Å; S422-G424 PolarHBondContact O-N 3.21Å
423	Q	36.3	Very low	38.6	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	82%	0.824	S	S	*	*			trans	-70.2	108.6	169.7	-74.3	-170	-20.2	0	0	109.7	P421	P421-Q423 VanDerWaalsContact C-N 3.33Å; P421-Q423 PolarHBondContact O-N 3.26Å
424	G	35.1	Very low	36.8	Very low	76 Å²	76	143.6 Å²	143.6	78%	0.784	82%	0.824	S	S	*	*			trans	-89.7	114.4	174	0	0	0	0	0	111.5	S422	S422-G424 PolarHBondContact O-N 3.21Å
425	T	33.2	Very low	35.5	Very low	141 Å²	141	141 Å²	141	87%	0.865	82%	0.816	S	S	*	*			trans	-136.1	113.8	164.6	51.2	0	0	0	0	109
426	G	31.3	Very low	34.6	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	81%	0.812	S	S	*	*			trans	-102.8	141.6	172.3	0	0	0	0	0	111.3
427	Q	33.5	Very low	33.9	Very low	201 Å²	201	139.4 Å²	139.4	94%	0.939	81%	0.814	S	S	*	*			trans	-147.4	150.7	161.5	-106.9	175.3	13.5	0	0	109.9
428	K	32.4	Very low	33.2	Very low	213 Å²	213	141.3 Å²	141.3	93%	0.926	82%	0.82	S	S	*	*			trans	-93.6	152.4	173.1	-68.4	-177.3	174.5	-173.8	0	109.9
429	G	28.8	Very low	32.5	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	82%	0.824	S	S	*	*			trans	-177.5	105.9	166.3	0	0	0	0	0	112.1
430	E	29.1	Very low	31.9	Very low	192 Å²	192	138.2 Å²	138.2	90%	0.897	84%	0.836	S	S	*	*			trans	-91.9	136.3	166.6	-65.8	168.7	100.8	0	0	109.3
431	T	28.6	Very low	31.6	Very low	146 Å²	146	133.9 Å²	133.9	90%	0.896	84%	0.835	S	S	*	*			trans	-155.3	146.8	148.5	-18.8	0	0	0	0	111.4
432	T	29.9	Very low	31.5	Very low	148 Å²	148	140.3 Å²	140.3	91%	0.908	85%	0.845	S	S	*	*			trans	-92.9	156.3	-176.6	4.8	0	0	0	0	112.6
433	G	29.5	Very low	31.5	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	84%	0.841	S	S	*	*			trans	-171.6	143.5	171	0	0	0	0	0	112.2
434	E	28.5	Very low	31.5	Very low	172 Å²	172	137 Å²	137	80%	0.804	84%	0.837	S	S	*	*			trans	-106.7	152.7	-168.5	-92.3	-169.1	103.9	0	0	115.6
435	L	30.2	Very low	31.6	Very low	137 Å²	137	142.6 Å²	142.6	72%	0.717	84%	0.843	S	S	*	*			trans	44.5	124.7	145.4	-60.5	170.6	0	0	0	119.3
436	T	30.3	Very low	31.6	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	83%	0.832	S	S	*	*				-166.5	137.7	82.5	17.7	0	0	0	0	116.7
437	K	30.9	Very low	31.6	Very low	178 Å²	178	141.7 Å²	141.7	77%	0.774	84%	0.838	S	S	*	*			trans	50.2	131	140.6	-77.9	-176.6	176.9	175.3	0	123.8
438	N	29.7	Very low	31.6	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	83%	0.828	S	S	*	*			trans	82.4	120.5	142	-63.5	2.9	0	0	0	120.1
439	G	28.6	Very low	31.6	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	82%	0.822	S	S	*	*			trans	159.2	104.3	166.6	0	0	0	0	0	111.3
440	A	32.7	Very low	31.7	Very low	117 Å²	117	141.8 Å²	141.8	97%	0.967	82%	0.818	S	S	*	*			trans	-90.1	131.6	-175.1	0	0	0	0	0	112.6
441	G	30.9	Very low	32.1	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	81%	0.807	S	S	*	*			trans	-150.8	140.4	173.9	0	0	0	0	0	111.4
442	R	36	Very low	32.4	Very low	244 Å²	244	139.3 Å²	139.3	92%	0.921	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.6	137.6	-178.2	-71.1	176.8	172	172.5	-4.1	111.9
443	P	35.9	Very low	32.7	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86	134.7	159.6	33.6	-30.4	0	0	0	111.2
444	P	36.5	Very low	32.8	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.6	154.5	155.8	-12.5	29.4	0	0	0	110.9
445	Q	37.8	Very low	33	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.5	156.7	164.2	-61.5	116.7	-32.4	0	0	110.1
446	G	32.8	Very low	33.1	Very low	62 Å²	62	137.7 Å²	137.7	64%	0.639	80%	0.802	S	S	*	*			cis	138.3	102.1	6.7	0	0	0	0	0	108.8	L448	G446-L448 PolarHBondContact O-N 3.48Å
447	C	30.8	Very low	33.3	Very low	137 Å²	137	139.3 Å²	139.3	93%	0.926	80%	0.804	S	S	*	*			trans	-72.2	108.6	-169.2	-59.3	0	0	0	0	112.3	Q449	C447-Q449 PolarHBondContact O-N 3.35Å
448	L	34.3	Very low	33.6	Very low	141 Å²	141	135.8 Å²	135.8	74%	0.738	81%	0.808	S	S	*	*			trans	-85	102.1	169.6	-80.5	170.2	0	0	0	110.7	G446 Y450	G446-L448 PolarHBondContact O-N 3.48Å; L448-Y450 HydrophobicContact CB-CD2 4.33Å; L448-Y450 HydrophobicContact CB-CE2 4.05Å; L448-Y450 PolarHBondContact O-N 3.1Å; L448-Y450 VanDerWaalsContact O-N 3.13Å
449	Q	31.4	Very low	34	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.794	81%	0.806	S	S	*	*			trans	-70.2	97.7	171.2	-173.2	74.6	20.7	0	0	109.6	C447 I451	C447-Q449 PolarHBondContact O-N 3.35Å; Q449-I451 PolarHBondContact O-N 3.23Å
450	Y	31.9	Very low	34.6	Very low	183 Å²	183	133.4 Å²	133.4	72%	0.718	80%	0.795	S	S	*	*			trans	-78.1	105.2	173.5	-86.4	-84.5	0	0	0	111.2	L448	L448-Y450 HydrophobicContact CB-CD2 4.33Å; L448-Y450 HydrophobicContact CB-CE2 4.05Å; L448-Y450 PolarHBondContact O-N 3.1Å; L448-Y450 VanDerWaalsContact O-N 3.13Å
451	I	36.2	Very low	34.9	Very low	132 Å²	132	134 Å²	134	68%	0.677	79%	0.788	S	S	*	*			trans	-80.2	127.8	160.1	-62.5	172.8	0	0	0	107.2	Q449	Q449-I451 PolarHBondContact O-N 3.23Å
452	L	35.2	Very low	35.2	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	79%	0.792	S	S	*	*			trans	-108.8	90	176.5	-75.1	172.8	0	0	0	109.7
453	D	36.1	Very low	35.5	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	79%	0.788	S	S	*	*			trans	-89.7	146.5	164.9	-78.4	-51.2	0	0	0	110.8
454	C	32.1	Very low	35.7	Very low	109 Å²	109	135.1 Å²	135.1	74%	0.736	79%	0.791	S	S	*	*			trans	-93.8	146.4	-168.7	-66.4	0	0	0	0	113.5
455	N	33.5	Very low	35.6	Very low	166 Å²	166	138.5 Å²	138.5	89%	0.888	80%	0.797	S	S	*	*			trans	73.3	121.9	166.8	-47.7	-45.5	0	0	0	117.5
456	G	30.9	Very low	35.5	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	79%	0.786	S	S	*	*			trans	129.5	91	153.6	0	0	0	0	0	117
457	I	35.9	Very low	35.6	Very low	163 Å²	163	141.8 Å²	141.8	84%	0.836	82%	0.817	S	S	*	*			trans	10.4	108.8	154.4	-51.7	172.9	0	0	0	116.7	V459	I457-V459 HydrophobicContact CG2-CG2 4.11Å
458	A	36.5	Very low	35.8	Very low	103 Å²	103	142.1 Å²	142.1	85%	0.851	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-98.8	116.9	163.3	0	0	0	0	0	110.8
459	V	38.7	Very low	35.9	Very low	133 Å²	133	142.1 Å²	142.1	81%	0.806	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.9	123.7	174.5	-179	0	0	0	0	109.4	I457	I457-V459 HydrophobicContact CG2-CG2 4.11Å
460	G	40.7	Very low	36.1	Very low	58 Å²	58	140.6 Å²	140.6	60%	0.598	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.1	144.6	178.3	0	0	0	0	0	113.1
461	P	39.4	Very low	36.4	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	138.3	-179	29	-34.7	0	0	0	112
462	K	37.6	Very low	36.4	Very low	195 Å²	195	138.4 Å²	138.4	85%	0.848	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-74.1	133.4	171.3	-69.7	-177.1	177	-178.7	0	110.4
463	P	41.8	Very low	36.5	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.2	147.8	166.4	31	-33.8	0	0	0	110.6
464	V	38.9	Very low	36.5	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	84%	0.836	S	S	*	*			trans	-112.7	112.3	176.5	177.5	0	0	0	0	109.6
465	Q	34.3	Very low	36.8	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	84%	0.844	S	S	*	*			trans	-137.6	124.5	156.4	-70.7	-176.9	-26.5	0	0	105.7
466	A	36.1	Very low	37.1	Very low	83 Å²	83	136.3 Å²	136.3	69%	0.686	84%	0.84	S	S	*	*			cis	87.3	53.2	48.2	0	0	0	0	0	113.9
467	N	34.7	Very low	37.7	Very low	242 Å²	242	141.9 Å²	141.9	100%	1.294	85%	0.846	S	S	*	*				-160	0	113.8	-90	-21.2	0	0	0	110.2

Retrieved 467 of 467 residues in 75.2 ms (Link to these results)

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