G4VGP2_SCHMA Loading...

Putative complement component C8 beta

AlphaFold DB , UniProt , Accession G4VGP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 482 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	32.3	Very low	232 Å²	232	165.3 Å²	165.3	100%	1.143	81%	0.807	S	S	*	*				0	149.5	0	-66	-169.3	-166.8	0	0	108.7
2	R	30.9	Very low	32.2	Very low	226 Å²	226	160.4 Å²	160.4	85%	0.853	79%	0.785	S	S	*	*			trans	35.3	111.5	154.3	-60.4	175.5	177.4	171.1	-2	118.3
3	Y	30.7	Very low	31.9	Very low	212 Å²	212	159 Å²	159	83%	0.831	78%	0.781	S	S	*	*				61.2	123.4	73	-84.8	-80.2	0	0	0	116.2
4	T	34.1	Very low	31.9	Very low	137 Å²	137	158.7 Å²	158.7	84%	0.84	78%	0.782	S	S	*	*			trans	149.2	119.9	146	45.7	0	0	0	0	108.5
5	L	32.2	Very low	31.6	Very low	142 Å²	142	158.5 Å²	158.5	74%	0.743	79%	0.785	S	S	*	*			cis	85.6	139.7	23.1	-140.5	160.2	0	0	0	114.8
6	T	31.8	Very low	31.6	Very low	118 Å²	118	158.8 Å²	158.8	72%	0.724	79%	0.788	S	S	*	*			trans	83.8	149	176.1	75	0	0	0	0	115.6
7	V	34.8	Very low	31.7	Very low	121 Å²	121	159.1 Å²	159.1	73%	0.733	79%	0.793	S	S	*	*			cis	-151.6	120.1	23.1	172	0	0	0	0	108.1
8	I	31.5	Very low	31.6	Very low	137 Å²	137	154.4 Å²	154.4	70%	0.703	79%	0.793	S	S	*	*				51.2	118.6	84.3	-55.5	177.8	0	0	0	117.9
9	L	33.4	Very low	31.4	Very low	168 Å²	168	154.1 Å²	154.1	88%	0.88	79%	0.791	S	S	*	*			trans	-161.4	145.5	140.5	-111.1	155.9	0	0	0	112.5
10	I	30.6	Very low	31.2	Very low	122 Å²	122	152.3 Å²	152.3	63%	0.626	79%	0.789	S	S	*	*			trans	-126.3	169.2	-165.7	-73.4	161.2	0	0	0	109.1	I12	I10-I12 HydrophobicContact CG2-CD1 4.21Å; I10-I12 HydrophobicContact CG2-CG1 4.47Å
11	Y	30.2	Very low	31	Very low	203 Å²	203	150.4 Å²	150.4	80%	0.796	78%	0.784	S	S	*	*			trans	143.4	150.3	144.2	-92.9	-100.1	0	0	0	112.2
12	I	30.7	Very low	30.6	Very low	107 Å²	107	146.1 Å²	146.1	55%	0.549	77%	0.766	S	S	.	*			cis	-175.2	132.5	-41.9	-112	164.9	0	0	0	110.3	I10	I10-I12 HydrophobicContact CG2-CD1 4.21Å; I10-I12 HydrophobicContact CG2-CG1 4.47Å
13	I	28.6	Very low	30.4	Very low	142 Å²	142	141.8 Å²	141.8	73%	0.728	77%	0.765	S	S	*	*			trans	51.2	136.5	145.5	-37.7	164	0	0	0	122.5
14	I	32	Very low	30.3	Very low	155 Å²	155	135.6 Å²	135.6	80%	0.795	75%	0.753	S	S	*	*				165.2	128.8	112.7	-76.8	168.6	0	0	0	111.9
15	D	26.6	Very low	30.2	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	75%	0.753	S	S	*	*			trans	-77.4	149	170.2	-79	-58.4	0	0	0	114.3
16	I	32.8	Very low	30.2	Very low	163 Å²	163	137.2 Å²	137.2	84%	0.836	75%	0.747	S	S	*	*			trans	-143.9	133.4	149.2	-62.2	-172.6	0	0	0	110
17	D	33.1	Very low	30.3	Very low	163 Å²	163	139.1 Å²	139.1	87%	0.872	74%	0.742	S	S	*	*			trans	-62.8	157.4	-175.6	-59.6	-81.3	0	0	0	117
18	G	29.4	Very low	30.2	Very low	76 Å²	76	138 Å²	138	78%	0.784	74%	0.739	S	S	*	*				116	28.2	124.4	0	0	0	0	0	120.6
19	I	27.2	Very low	30.2	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	75%	0.746	S	S	*	*	S	Bend	trans	-135.4	140.7	165.6	-58.1	-177.7	0	0	0	108.9	V21	I19-V21 PolarHBondContact O-N 2.88Å
20	P	27.4	Very low	30.1	Very low	118 Å²	118	137.2 Å²	137.2	77%	0.766	73%	0.728	S	S	*	*			trans	-60.6	121.3	-176.9	-22	33.5	0	0	0	112	D22	P20-D22 PolarHBondContact O-N 3.14Å; P20-D22 VanDerWaalsContact O-N 3.08Å
21	V	27.1	Very low	30.3	Very low	113 Å²	113	137 Å²	137	69%	0.685	73%	0.728	S	S	*	*			trans	-83.6	82.8	-177.1	-176.3	0	0	0	0	110	I19 T23	I19-V21 PolarHBondContact O-N 2.88Å; V21-T23 PolarHBondContact O-N 2.94Å; V21-T23 VanDerWaalsContact O-N 3.11Å
22	D	27.1	Very low	30.4	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	73%	0.726	S	S	*	*			trans	-73.2	97.5	163.9	-84	-31.3	0	0	0	109.7	P20	P20-D22 PolarHBondContact O-N 3.14Å; P20-D22 VanDerWaalsContact O-N 3.08Å
23	T	26.4	Very low	30.5	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	73%	0.728	S	S	*	*	S	Bend	trans	61.9	65.1	153.4	60.7	0	0	0	0	118.2	V21	V21-T23 PolarHBondContact O-N 2.94Å; V21-T23 VanDerWaalsContact O-N 3.11Å
24	S	30.4	Very low	30.6	Very low	83 Å²	83	135 Å²	135	58%	0.58	72%	0.721	S	S	*	*			trans	-156.8	43.7	169.5	53.5	0	0	0	0	119.3
25	E	30.6	Very low	30.7	Very low	179 Å²	179	135.6 Å²	135.6	84%	0.836	72%	0.72	S	S	*	*	S	Bend	trans	-93.4	-12.2	169.2	-80.1	-162.4	123.2	0	0	115.8	Y27	E25-Y27 PolarHBondContact O-N 2.77Å
26	E	33.5	Very low	30.9	Very low	133 Å²	133	134.8 Å²	134.8	62%	0.621	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-3.8	177.4	-113.2	179	170.7	0	0	114.5
27	Y	32	Very low	30.7	Very low	159 Å²	159	133.1 Å²	133.1	62%	0.624	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-7.8	-164.5	-119.4	-98.2	0	0	0	115.8	E25	E25-Y27 PolarHBondContact O-N 2.77Å
28	S	33	Very low	30.3	Very low	96 Å²	96	133 Å²	133	67%	0.671	71%	0.706	S	S	*	*	S	Bend	trans	-104.4	-23.3	-165.3	60.9	0	0	0	0	116.2
29	K	31.1	Very low	30.3	Very low	195 Å²	195	138.1 Å²	138.1	85%	0.848	71%	0.708	S	S	*	*	S	Bend	trans	-88.6	-12.9	-176.2	-74.1	179.8	179.3	170.4	0	115.6
30	N	32.7	Very low	30.4	Very low	94 Å²	94	140.2 Å²	140.2	50%	0.503	71%	0.714	S	S	.	*			trans	-98	16.9	-171.6	-74.9	-50.3	0	0	0	115.5	R34	N30-R34 WeakPolarHBondContact O-CG 3.37Å
31	L	34.4	Very low	30.5	Very low	119 Å²	119	140 Å²	140	62%	0.623	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-27.9	-175	-161.6	65.3	0	0	0	114
32	L	32.5	Very low	30.4	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-27.3	-179	-100	155.8	0	0	0	113.8
33	L	32.1	Very low	30.4	Very low	114 Å²	114	141.9 Å²	141.9	60%	0.597	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-28.4	175.2	-152.6	72.3	0	0	0	111.9	Q35 L36	L33-Q35 PolarHBondContact O-N 2.82Å; L33-L36 PolarHBondContact O-N 2.93Å
34	R	31	Very low	30.4	Very low	153 Å²	153	142 Å²	142	58%	0.577	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-16.6	179.3	-80.7	177.5	170	177.7	-0.8	114.6	N30	N30-R34 WeakPolarHBondContact O-CG 3.37Å
35	Q	34.9	Very low	30.2	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-12.5	179	-71.5	-172.7	-41.8	0	0	114.6	L33	L33-Q35 PolarHBondContact O-N 2.82Å
36	L	29.4	Very low	30	Very low	139 Å²	139	136.2 Å²	136.2	73%	0.728	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-16.3	-173.4	-79.1	164	0	0	0	115	L33	L33-L36 PolarHBondContact O-N 2.93Å
37	L	28.5	Very low	29.7	Very low	127 Å²	127	135.7 Å²	135.7	67%	0.665	67%	0.671	S	S	*	*	S	Bend	trans	-120.2	2.1	-168	-67.1	174	0	0	0	115.7	F39	L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 3.27Å
38	N	26.6	Very low	29.5	Very low	160 Å²	160	134 Å²	134	86%	0.856	67%	0.669	S	S	*	*			trans	43.8	43.3	165.7	-147.5	34.1	0	0	0	116.7
39	F	27.8	Very low	29.1	Very low	185 Å²	185	133.5 Å²	133.5	81%	0.811	67%	0.665	S	S	*	*			trans	-137	136.8	176.2	-120.5	-90.4	0	0	0	110.4	L37	L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 3.27Å
40	Q	29.9	Very low	28.9	Very low	190 Å²	190	130 Å²	130	89%	0.888	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-93.5	125.6	175	-77.6	175.4	-40.1	0	0	110.3
41	L	28.8	Very low	28.5	Very low	115 Å²	115	129.7 Å²	129.7	60%	0.602	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-99.9	144.1	176.7	-80.7	161.6	0	0	0	111.3	F47	L41-F47 HydrophobicContact CD1-CE1 4.46Å; L41-F47 HydrophobicContact CD1-CZ 3.84Å
42	P	25.9	Very low	28.1	Very low	99 Å²	99	129.7 Å²	129.7	64%	0.643	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-61.9	152.4	176.6	-23.7	35.1	0	0	0	113.9	D44 S45	P42-D44 PolarHBondContact O-N 2.89Å; P42-D44 VanDerWaalsContact O-N 3.07Å; P42-S45 PolarHBondContact O-OG 2.75Å
43	K	27.7	Very low	27.8	Very low	195 Å²	195	129.8 Å²	129.8	85%	0.848	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-11.2	-165.7	-75.9	-174.7	171.6	-176	0	117
44	D	26.5	Very low	27.6	Very low	137 Å²	137	130 Å²	130	73%	0.733	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	35.9	-168.9	-48.4	-44.1	0	0	0	112.6	P42 T69	P42-D44 PolarHBondContact O-N 2.89Å; P42-D44 VanDerWaalsContact O-N 3.07Å; D44-T69 PolarHBondContact O-OG1 2.89Å
45	S	25.8	Very low	27.5	Very low	37 Å²	37	128 Å²	128	26%	0.259	69%	0.688	S	S	.	*			trans	-123.9	116	-173	51.9	0	0	0	0	114	P42	P42-S45 PolarHBondContact O-OG 2.75Å
46	N	26.4	Very low	27.4	Very low	103 Å²	103	126.9 Å²	126.9	55%	0.551	69%	0.693	S	S	*	*			trans	-108.9	145.3	177.4	-57.5	16.6	0	0	0	109.6	T69	N46-T69 HydrophobicContact CB-CG2 4.35Å
47	F	26.8	Very low	27.4	Very low	122 Å²	122	124.4 Å²	124.4	54%	0.535	69%	0.692	S	S	.	*			trans	-108.7	165.3	-161.1	-72.8	-105.4	0	0	0	113.6	L41	L41-F47 HydrophobicContact CD1-CE1 4.46Å; L41-F47 HydrophobicContact CD1-CZ 3.84Å
48	H	27.1	Very low	27.4	Very low	125 Å²	125	130.8 Å²	130.8	58%	0.579	71%	0.708	S	S	*	*			trans	-168.6	152.1	136.3	-91.9	-64.6	0	0	0	111.4	W67	H48-W67 PolarHBondContact O-NE1 3.35Å
49	S	25.9	Very low	27.6	Very low	85 Å²	85	128.9 Å²	128.9	59%	0.594	70%	0.698	S	S	*	*			trans	-93.2	-173.1	-163.1	30.6	0	0	0	0	114.4
50	I	26.1	Very low	27.7	Very low	120 Å²	120	124.7 Å²	124.7	62%	0.615	69%	0.689	S	S	*	*				-161	162.1	51.9	-60.4	157.5	0	0	0	110.6	E229	I50-E229 HydrophobicContact CD1-CG 4.24Å; I50-E229 VanDerWaalsContact CD1-OE1 3.26Å; I50-E229 WeakPolarHBondContact CD1-OE1 3.1Å; I50-E229 WeakPolarHBondContact CD1-OE2 3.29Å
51	S	23.8	Very low	27.6	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	67%	0.672	S	S	*	*			trans	-142.6	163	172.8	63.8	0	0	0	0	113.3
52	S	26.3	Very low	27.7	Very low	119 Å²	119	126.2 Å²	126.2	83%	0.832	69%	0.688	S	S	*	*			trans	169.3	170	138.3	53.9	0	0	0	0	115.1
53	L	26.2	Very low	27.7	Very low	145 Å²	145	126.8 Å²	126.8	76%	0.759	70%	0.695	S	S	*	*			trans	-94.8	166.8	-166.8	-73.5	66.2	0	0	0	114.1
54	S	27.5	Very low	27.7	Very low	117 Å²	117	121.4 Å²	121.4	82%	0.818	69%	0.686	S	S	*	*			trans	-140.9	145.9	151.1	-171.1	0	0	0	0	110.6
55	P	29.3	Very low	27.7	Very low	113 Å²	113	120 Å²	120	73%	0.734	68%	0.678	S	S	*	*			trans	-119.8	129.4	-145.8	37.2	-24.2	0	0	0	116.3
56	T	32.9	Very low	27.7	Very low	142 Å²	142	125.6 Å²	125.6	87%	0.871	70%	0.698	S	S	*	*			trans	-141.5	124.9	156.5	47.6	0	0	0	0	112.4
57	A	29	Very low	27.8	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	70%	0.698	S	S	*	*	S	Bend	trans	54.9	93.8	161	0	0	0	0	0	120.8
58	W	28.9	Very low	27.9	Very low	261 Å²	261	127.3 Å²	127.3	99%	0.989	71%	0.707	S	S	*	*	S	Bend	trans	71.3	36.4	137.1	-62.6	33	0	0	0	119.8
59	N	30.7	Very low	28.2	Very low	120 Å²	120	125.1 Å²	125.1	64%	0.642	70%	0.703	S	S	*	*			trans	-168.3	115.2	141.5	-123.1	-14.1	0	0	0	112.6
60	P	29.8	Very low	28.3	Very low	96 Å²	96	129.2 Å²	129.2	62%	0.623	71%	0.705	S	S	*	*			trans	-95.5	114.2	178.1	34	-29.2	0	0	0	112.5
61	T	29.3	Very low	28.5	Very low	86 Å²	86	127.9 Å²	127.9	53%	0.528	71%	0.706	S	S	.	*			trans	-93.4	124.7	164.8	45.4	0	0	0	0	110.2
62	W	29	Very low	28.7	Very low	251 Å²	251	133 Å²	133	95%	0.951	72%	0.72	S	S	*	*			trans	-81.3	138.9	175.3	-65	-15.7	0	0	0	111
63	S	27.4	Very low	29	Very low	111 Å²	111	138.5 Å²	138.5	78%	0.776	72%	0.723	S	S	*	*			trans	-145.5	138.4	171.4	52.7	0	0	0	0	111.2
64	A	28	Very low	29.1	Very low	82 Å²	82	141.3 Å²	141.3	68%	0.678	73%	0.729	S	S	*	*			trans	-135.5	147.8	177.4	0	0	0	0	0	109
65	L	26.7	Very low	29.1	Very low	107 Å²	107	144.2 Å²	144.2	56%	0.56	72%	0.722	S	S	*	*			trans	-118.6	139.1	-175.1	-142.8	103.5	0	0	0	109.9	W67	L65-W67 HydrophobicContact CD2-CD2 4.25Å; L65-W67 HydrophobicContact CD2-CE3 4.29Å; L65-W67 HydrophobicContact CD2-CH2 3.5Å; L65-W67 HydrophobicContact CD2-CZ2 3.43Å; L65-W67 VanDerWaalsContact CD2-CZ2 3.43Å; L65-W67 HydrophobicContact CD2-CZ3 3.94Å
66	F	25.5	Very low	29.1	Very low	155 Å²	155	145.3 Å²	145.3	68%	0.68	73%	0.731	S	S	*	*			trans	-131.9	143.5	177	-64.7	-81.8	0	0	0	110.2
67	W	27.7	Very low	28.8	Very low	142 Å²	142	144.3 Å²	144.3	54%	0.538	73%	0.725	S	S	.	*			trans	-117.6	159.7	176.9	-33.5	88.2	0	0	0	110.3	H48 L65 V104	H48-W67 PolarHBondContact O-NE1 3.35Å; L65-W67 HydrophobicContact CD2-CD2 4.25Å; L65-W67 HydrophobicContact CD2-CE3 4.29Å; L65-W67 HydrophobicContact CD2-CH2 3.5Å; L65-W67 HydrophobicContact CD2-CZ2 3.43Å; L65-W67 VanDerWaalsContact CD2-CZ2 3.43Å; L65-W67 HydrophobicContact CD2-CZ3 3.94Å; W67-V104 HydrophobicContact CZ3-CG1 4.3Å
68	T	29.3	Very low	29	Very low	120 Å²	120	149.2 Å²	149.2	74%	0.736	73%	0.733	S	S	*	*			trans	-137.3	157.4	173.9	56.5	0	0	0	0	111.8
69	T	32.6	Very low	29	Very low	78 Å²	78	144.4 Å²	144.4	48%	0.479	73%	0.726	S	S	.	*			trans	-84.7	178.1	-170.7	42.1	0	0	0	0	114.2	D44 N46	D44-T69 PolarHBondContact O-OG1 2.89Å; N46-T69 HydrophobicContact CB-CG2 4.35Å
70	W	29.4	Very low	29	Very low	172 Å²	172	147.6 Å²	147.6	65%	0.652	74%	0.735	S	S	*	*			trans	-80.3	160.8	-164.8	-54.6	74.8	0	0	0	113.6	R101 T102	W70-R101 VanDerWaalsContact CZ3-C 3.48Å; W70-R101 WeakPolarHBondContact CZ3-O 2.92Å; W70-T102 HydrophobicContact CH2-CG2 3.42Å; W70-T102 VanDerWaalsContact CH2-CG2 3.42Å; W70-T102 HydrophobicContact CZ2-CG2 3.72Å; W70-T102 HydrophobicContact CZ3-CG2 4.27Å
71	S	29.9	Very low	28.9	Very low	91 Å²	91	151.6 Å²	151.6	64%	0.636	74%	0.744	S	S	*	*			trans	-120	128.6	166.1	55.2	0	0	0	0	110.6
72	E	28.8	Very low	28.8	Very low	196 Å²	196	153.2 Å²	153.2	92%	0.916	76%	0.758	S	S	*	*			trans	-78.1	144.8	178.2	-61.7	-172.3	149.7	0	0	111.9
73	W	31.4	Very low	28.8	Very low	236 Å²	236	147.2 Å²	147.2	89%	0.894	75%	0.749	S	S	*	*			trans	-129.4	141	176.1	-75.6	70.3	0	0	0	111.1
74	K	29.3	Very low	28.8	Very low	203 Å²	203	150.8 Å²	150.8	88%	0.883	75%	0.751	S	S	*	*			trans	-68.8	145.2	-177.6	-71	179	176	176.2	0	112.4	C76	K74-C76 PolarHBondContact O-N 3.35Å
75	R	26	Very low	28.8	Very low	179 Å²	179	156.7 Å²	156.7	68%	0.675	76%	0.764	S	S	*	*			trans	-53.1	128.4	175.8	-80	178.7	169.4	-173.9	-9.1	111.8	T77 E96	R75-T77 PolarHBondContact O-N 3.49Å; R75-T77 VanDerWaalsContact O-N 3.11Å; R75-E96 IonicContact CZ-OE1 3.59Å; R75-E96 IonicContact NH1-OE1 3.68Å; R75-E96 IonicContact NH2-OE1 3.52Å; R75-E96 PolarHBondContact NH2-OE1 3.25Å; R75-E96 IonicContact NH2-OE2 3.51Å; R75-E96 PolarHBondContact NH2-OE2 2.71Å
76	C	29.1	Very low	28.8	Very low	135 Å²	135	160.5 Å²	160.5	91%	0.912	77%	0.772	S	S	*	*			trans	-71	100.7	172.2	-76.1	0	0	0	0	111.8	K74 Q78	K74-C76 PolarHBondContact O-N 3.35Å; C76-Q78 PolarHBondContact O-N 3.04Å
77	T	28.5	Very low	29.1	Very low	122 Å²	122	159.7 Å²	159.7	75%	0.748	78%	0.775	S	S	*	*			trans	-91.9	88.2	173.8	52.8	0	0	0	0	111.6	R75	R75-T77 PolarHBondContact O-N 3.49Å; R75-T77 VanDerWaalsContact O-N 3.11Å
78	Q	32.7	Very low	29.2	Very low	190 Å²	190	157.7 Å²	157.7	89%	0.888	78%	0.775	S	S	*	*			trans	-171.6	102	153.8	-107.8	158.9	57	0	0	112.7	C76	C76-Q78 PolarHBondContact O-N 3.04Å
79	N	29.1	Very low	29.4	Very low	160 Å²	160	158.5 Å²	158.5	86%	0.856	77%	0.774	S	S	*	*			trans	-80.5	113.7	169.3	-87.5	-23.1	0	0	0	111
80	K	28.9	Very low	29.3	Very low	188 Å²	188	162 Å²	162	82%	0.817	79%	0.79	S	S	*	*			trans	-139	140	151.4	-71.5	-170.7	178.3	177.2	0	108.3
81	H	28	Very low	29.2	Very low	179 Å²	179	164 Å²	164	83%	0.829	80%	0.803	S	S	*	*	S	Bend	trans	78.9	39.9	-171.9	-52.4	-77.6	0	0	0	118.1
82	C	27.5	Very low	29.1	Very low	121 Å²	121	165 Å²	165	82%	0.818	81%	0.811	S	S	*	*			trans	-135.2	81.3	150.2	-78.4	0	0	0	0	109.8
83	T	29.5	Very low	29.2	Very low	124 Å²	124	164.5 Å²	164.5	76%	0.761	81%	0.809	S	S	*	*			trans	-119.3	112.3	178.6	43.5	0	0	0	0	112.6
84	K	27	Very low	29.1	Very low	186 Å²	186	160.8 Å²	160.8	81%	0.809	80%	0.804	S	S	*	*			trans	62.9	104	149.5	-58.6	-179.1	178.2	-178.2	0	117.9
85	H	28.1	Very low	29	Very low	206 Å²	206	158 Å²	158	95%	0.954	80%	0.798	S	S	*	*				-125	129.9	107.3	-108	-90.6	0	0	0	109
86	Y	26.9	Very low	29.2	Very low	187 Å²	187	154.5 Å²	154.5	73%	0.733	79%	0.789	S	S	*	*			trans	-136.3	125.9	-172.9	-167.6	-84.6	0	0	0	108.5	N88	Y86-N88 VanDerWaalsContact CE1-OD1 3.25Å; Y86-N88 WeakPolarHBondContact CE1-OD1 3.06Å
87	N	31	Very low	29.1	Very low	139 Å²	139	155.3 Å²	155.3	74%	0.743	78%	0.784	S	S	*	*			trans	-166.4	109.2	151.1	-101.4	-18.5	0	0	0	106.6
88	N	31	Very low	29	Very low	100 Å²	100	155 Å²	155	54%	0.535	78%	0.777	S	S	.	*				67.6	92.7	93.4	-72	-10.6	0	0	0	110.1	Y86	Y86-N88 VanDerWaalsContact CE1-OD1 3.25Å; Y86-N88 WeakPolarHBondContact CE1-OD1 3.06Å
89	N	32.3	Very low	28.6	Very low	136 Å²	136	153.6 Å²	153.6	73%	0.727	78%	0.775	S	S	*	*				-162.7	146.4	58.4	-78	-38.2	0	0	0	114.6
90	N	30	Very low	28.5	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	77%	0.768	S	S	*	*	S	Bend	trans	70.4	112.9	150.3	-59.6	-16.4	0	0	0	120.6
91	K	28.8	Very low	28.4	Very low	214 Å²	214	151.5 Å²	151.5	93%	0.93	76%	0.755	S	S	*	*			trans	63.8	74.2	167.5	-70.2	-170.8	172.8	-173.7	0	117.1
92	S	28.1	Very low	28.3	Very low	114 Å²	114	145 Å²	145	80%	0.797	73%	0.728	S	S	*	*			trans	-92.4	113	156.2	55.2	0	0	0	0	110.5
93	E	30	Very low	28.3	Very low	185 Å²	185	148 Å²	148	86%	0.864	72%	0.722	S	S	*	*			trans	-71.1	149.1	168.2	-82.9	178.7	144.8	0	0	111.7	I95	E93-I95 PolarHBondContact O-N 2.79Å
94	I	28.5	Very low	28.1	Very low	157 Å²	157	145.1 Å²	145.1	81%	0.805	70%	0.704	S	S	*	*			trans	-81.8	94.1	-177.1	-59.4	165.9	0	0	0	108.2	E96	I94-E96 HydrophobicContact CG2-CG 4.3Å; I94-E96 PolarHBondContact O-N 3.18Å
95	I	28.9	Very low	28.2	Very low	144 Å²	144	141.3 Å²	141.3	74%	0.738	70%	0.7	S	S	*	*			trans	-82.3	100.8	168.4	-60.1	179.4	0	0	0	107.8	E93 N97	E93-I95 PolarHBondContact O-N 2.79Å; I95-N97 PolarHBondContact O-N 3.29Å
96	E	29.5	Very low	28.2	Very low	106 Å²	106	140.7 Å²	140.7	50%	0.495	70%	0.697	S	S	.	*			trans	-66.7	111.8	171.4	-69.7	-158.7	145.2	0	0	109.9	R75 I94 L98	R75-E96 IonicContact CZ-OE1 3.59Å; R75-E96 IonicContact NH1-OE1 3.68Å; R75-E96 IonicContact NH2-OE1 3.52Å; R75-E96 PolarHBondContact NH2-OE1 3.25Å; R75-E96 IonicContact NH2-OE2 3.51Å; R75-E96 PolarHBondContact NH2-OE2 2.71Å; I94-E96 HydrophobicContact CG2-CG 4.3Å; I94-E96 PolarHBondContact O-N 3.18Å; E96-L98 PolarHBondContact O-N 2.81Å
97	N	25.9	Very low	28.2	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	71%	0.705	S	S	*	*			trans	-71.2	86.3	175.9	-70.1	-39.8	0	0	0	111.1	I95	I95-N97 PolarHBondContact O-N 3.29Å
98	L	27.1	Very low	28	Very low	115 Å²	115	143 Å²	143	60%	0.602	71%	0.707	S	S	*	*			trans	-78.8	118.8	174.4	-74.5	163.6	0	0	0	111.3	E96 F100	E96-L98 PolarHBondContact O-N 2.81Å; L98-F100 HydrophobicContact CB-CE2 3.77Å; L98-F100 HydrophobicContact CB-CZ 4.21Å
99	L	24.4	Very low	27.9	Very low	161 Å²	161	143 Å²	143	84%	0.843	72%	0.715	S	S	*	*			trans	-103.4	121.1	177.1	-100	152.7	0	0	0	110.1
100	F	26.6	Very low	27.7	Very low	162 Å²	162	143.1 Å²	143.1	71%	0.711	72%	0.721	S	S	*	*			trans	-115.5	141.2	176.8	-61.8	-83.4	0	0	0	111.2	L98	L98-F100 HydrophobicContact CB-CE2 3.77Å; L98-F100 HydrophobicContact CB-CZ 4.21Å
101	R	26.8	Very low	27.8	Very low	142 Å²	142	141.3 Å²	141.3	54%	0.536	71%	0.711	S	S	.	*			trans	-128.2	112.4	-178.8	-77.7	-174.3	172.6	-166.5	-3.9	113.3	W70 Q140 D142	W70-R101 VanDerWaalsContact CZ3-C 3.48Å; W70-R101 WeakPolarHBondContact CZ3-O 2.92Å; R101-Q140 VanDerWaalsContact NH1-CD 3.27Å; R101-D142 IonicContact NH2-OD1 2.84Å
102	T	27.1	Very low	27.8	Very low	44 Å²	44	138 Å²	138	27%	0.27	70%	0.699	S	S	.	*			trans	-78.6	155.6	171	21.8	0	0	0	0	113.5	W70 K298	W70-T102 HydrophobicContact CH2-CG2 3.42Å; W70-T102 VanDerWaalsContact CH2-CG2 3.42Å; W70-T102 HydrophobicContact CZ2-CG2 3.72Å; W70-T102 HydrophobicContact CZ3-CG2 4.27Å; T102-K298 WeakPolarHBondContact OG1-CE 3.4Å
103	R	26.4	Very low	27.8	Very low	183 Å²	183	141.2 Å²	141.2	69%	0.691	70%	0.702	S	S	*	*			trans	-128.6	139.2	177.7	-152.8	-174.2	-151	173.5	8	109.9	L138	R103-L138 VanDerWaalsContact NH2-CD2 3.33Å
104	V	26.8	Very low	27.8	Very low	64 Å²	64	139.5 Å²	139.5	39%	0.388	70%	0.697	S	S	.	*			trans	-141.8	147.6	178.6	-174.8	0	0	0	0	110.4	W67 L217	W67-V104 HydrophobicContact CZ3-CG1 4.3Å; V104-L217 HydrophobicContact CB-CD2 4.27Å; V104-L217 HydrophobicContact CG1-CD2 4.06Å; V104-L217 HydrophobicContact CG2-CD2 4.17Å
105	C	27.5	Very low	27.8	Very low	105 Å²	105	138.8 Å²	138.8	71%	0.709	70%	0.695	S	S	*	*			trans	-129.7	147.7	-179.8	-64	0	0	0	0	111.6
106	Q	28	Very low	27.6	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	70%	0.703	S	S	*	*			trans	-141.3	144.8	176.6	-171	176.7	7.9	0	0	110.8
107	F	28.5	Very low	27.5	Very low	204 Å²	204	142.7 Å²	142.7	90%	0.895	71%	0.709	S	S	*	*			trans	-113.6	157.7	-174.1	-148.1	-88.8	0	0	0	111.6
108	Q	26.9	Very low	27.6	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	71%	0.712	S	S	*	*			trans	-120.4	136.1	-178.2	-166.6	173.5	15.9	0	0	110.9
109	S	28.1	Very low	27.7	Very low	100 Å²	100	143.8 Å²	143.8	70%	0.699	72%	0.724	S	S	*	*			trans	-81.4	147.6	-179	58	0	0	0	0	112.8
110	V	27.9	Very low	27.6	Very low	140 Å²	140	144.5 Å²	144.5	85%	0.848	73%	0.725	S	S	*	*			trans	-104.3	118.4	174.4	-176.1	0	0	0	0	108.3
111	N	31.7	Very low	27.7	Very low	113 Å²	113	144 Å²	144	60%	0.604	73%	0.728	S	S	*	*			trans	-118.1	112.7	169.4	-100.3	14	0	0	0	111.1
112	E	28.6	Very low	27.7	Very low	143 Å²	143	146.4 Å²	146.4	67%	0.668	74%	0.742	S	S	*	*			trans	29.5	99.9	149.6	-57.1	-168.8	142.2	0	0	120
113	Q	28.6	Very low	27.6	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	77%	0.77	S	S	*	*			trans	-142.3	93.3	139.1	-81.4	-161.9	-13.8	0	0	110.3
114	L	30	Very low	27.6	Very low	148 Å²	148	145.2 Å²	145.2	78%	0.775	77%	0.772	S	S	*	*	S	Bend		161.4	139.8	126.3	-106.4	65.6	0	0	0	113
115	L	29.7	Very low	27.4	Very low	143 Å²	143	149.7 Å²	149.7	75%	0.749	79%	0.794	S	S	*	*			trans	55.8	95.5	161.7	-80.4	79.7	0	0	0	118.4	S117	L115-S117 PolarHBondContact O-N 3.12Å
116	W	24.6	Very low	27.4	Very low	243 Å²	243	152.5 Å²	152.5	92%	0.92	80%	0.8	S	S	*	*			trans	-60	119.4	140.6	-64.2	11.3	0	0	0	109.7
117	S	26.4	Very low	27.3	Very low	88 Å²	88	148.9 Å²	148.9	62%	0.615	80%	0.796	S	S	*	*			trans	175	145.9	138.9	42.2	0	0	0	0	111.4	L115	L115-S117 PolarHBondContact O-N 3.12Å
118	Q	29.2	Very low	27.3	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	78%	0.78	S	S	*	*			trans	55.9	87.4	157.6	-62.5	168.4	4.9	0	0	117.1
119	A	28.3	Very low	27.2	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	79%	0.786	S	S	*	*				175.5	106.6	107.9	0	0	0	0	0	111.1
120	M	23.3	Very low	27.2	Very low	176 Å²	176	144.9 Å²	144.9	87%	0.867	79%	0.794	S	S	*	*			trans	-71.3	163.6	149.6	-66.8	-175.9	171.7	0	0	109.1
121	I	27.6	Very low	27.2	Very low	151 Å²	151	142.8 Å²	142.8	77%	0.774	79%	0.786	S	S	*	*			trans	93.2	126.9	160.5	-55.8	160.3	0	0	0	116.8
122	K	27.5	Very low	26.9	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	80%	0.795	S	S	*	*			trans	79.7	118	167.6	-77.2	163.8	-175	-178.6	0	117.6
123	G	23.6	Very low	26.7	Very low	83 Å²	83	143.5 Å²	143.5	86%	0.856	81%	0.808	S	S	*	*			trans	-73.5	150.7	177	0	0	0	0	0	112.9
124	V	26.7	Very low	26.7	Very low	120 Å²	120	138.8 Å²	138.8	73%	0.727	80%	0.795	S	S	*	*			trans	-119.6	119.7	170.9	176.4	0	0	0	0	106.9	L126	V124-L126 HydrophobicContact CG1-CG 4.48Å; V124-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact O-N 3.17Å
125	N	23.2	Very low	26.7	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	79%	0.787	S	S	*	*			trans	-67.8	109.3	168.8	-81.3	-16.6	0	0	0	108.6	S127	N125-S127 VanDerWaalsContact C-N 3.32Å; N125-S127 PolarHBondContact O-N 2.85Å
126	L	27.9	Very low	26.4	Very low	163 Å²	163	138.8 Å²	138.8	85%	0.853	79%	0.788	S	S	*	*			trans	-93.1	68.9	164.7	-79.9	164.7	0	0	0	109.5	V124 G128	V124-L126 HydrophobicContact CG1-CG 4.48Å; V124-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact O-N 3.17Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.2Å
127	S	26	Very low	26.5	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	78%	0.777	S	S	*	*			trans	-77	89.2	157.7	55.2	0	0	0	0	108	N125	N125-S127 VanDerWaalsContact C-N 3.32Å; N125-S127 PolarHBondContact O-N 2.85Å
128	G	27.4	Very low	26.5	Very low	54 Å²	54	131.5 Å²	131.5	56%	0.557	78%	0.775	S	S	*	*	S	Bend	trans	-157.3	125.3	178	0	0	0	0	0	109.6	L126 L130	L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.2Å; G128-L130 PolarHBondContact O-N 3.08Å; G128-L130 VanDerWaalsContact O-N 3.08Å
129	D	25.5	Very low	26.4	Very low	169 Å²	169	125.7 Å²	125.7	90%	0.904	75%	0.749	S	S	*	*			trans	-47.8	107.5	-166.6	-57.3	-57	0	0	0	114	S131	D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 VanDerWaalsContact O-N 3.12Å
130	L	27.1	Very low	26.3	Very low	168 Å²	168	122.8 Å²	122.8	88%	0.88	72%	0.718	S	S	*	*			trans	-77.8	97.4	169	-129.5	79	0	0	0	108.4	G128 T132	G128-L130 PolarHBondContact O-N 3.08Å; G128-L130 VanDerWaalsContact O-N 3.08Å; L130-T132 PolarHBondContact O-N 3.31Å
131	S	27.7	Very low	26.4	Very low	96 Å²	96	115.3 Å²	115.3	67%	0.671	68%	0.683	S	S	*	*			trans	-59.4	127.1	-175.5	56.4	0	0	0	0	112.4	D129 C133	D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 VanDerWaalsContact O-N 3.12Å; S131-C133 PolarHBondContact O-N 3.15Å
132	T	25.8	Very low	26.3	Very low	131 Å²	131	111.1 Å²	111.1	80%	0.804	66%	0.663	S	S	*	*			trans	-57.8	126.7	174	49.8	0	0	0	0	112.1	L130 S134	L130-T132 PolarHBondContact O-N 3.31Å; T132-S134 PolarHBondContact O-N 3.36Å
133	C	24.3	Very low	26.2	Very low	140 Å²	140	105.6 Å²	105.6	95%	0.946	65%	0.645	S	S	*	*			trans	9.9	74.5	166.3	-61.3	0	0	0	0	117.4	S131	S131-C133 PolarHBondContact O-N 3.15Å
134	S	29.8	Very low	26.2	Very low	83 Å²	83	110 Å²	110	58%	0.58	64%	0.64	S	S	*	*			trans	-100.6	117.4	173.1	60.2	0	0	0	0	111.7	T132	T132-S134 PolarHBondContact O-N 3.36Å
135	E	28.3	Very low	26.2	Very low	129 Å²	129	112.4 Å²	112.4	60%	0.603	64%	0.643	S	S	*	*	S	Bend	trans	63.2	142.2	160.9	-53.6	176.3	-173.5	0	0	117.6
136	E	25.2	Very low	26.4	Very low	162 Å²	162	110.8 Å²	110.8	76%	0.757	64%	0.643	S	S	*	*			cis	-161.1	124.8	-17.1	-106.6	-175.7	164.1	0	0	105.2
137	G	26.8	Very low	26.4	Very low	67 Å²	67	111.6 Å²	111.6	69%	0.691	64%	0.643	S	S	*	*			trans	177.2	31	-173.7	0	0	0	0	0	116.4
138	L	25.2	Very low	26.5	Very low	112 Å²	112	113.1 Å²	113.1	59%	0.586	64%	0.642	S	S	*	*			trans	-62.4	150.5	-170.9	-75	166.4	0	0	0	114	R103 T294	R103-L138 VanDerWaalsContact NH2-CD2 3.33Å; L138-T294 WeakPolarHBondContact O-CG2 2.97Å; L138-T294 PolarHBondContact O-OG1 3.14Å
139	I	27.2	Very low	26.5	Very low	66 Å²	66	118 Å²	118	34%	0.338	65%	0.654	S	S	.	*			trans	-129.2	92.3	173.3	-33.9	179.7	0	0	0	112.9	I259 K261 T294	I139-I259 HydrophobicContact CB-CD1 3.64Å; I139-I259 HydrophobicContact CB-CG1 4.41Å; I139-I259 HydrophobicContact CD1-CD1 4.05Å; I139-I259 HydrophobicContact CG1-CD1 4.43Å; I139-I259 HydrophobicContact CG2-CD1 3.18Å; I139-I259 HydrophobicContact CG2-CG1 3.44Å; I139-I259 VanDerWaalsContact CG2-CG1 3.44Å; I139-K261 HydrophobicContact CG2-CD 4.45Å; I139-K261 HydrophobicContact CG2-CG 4.07Å; I139-T294 WeakPolarHBondContact CA-OG1 3.43Å; I139-T294 HydrophobicContact CB-CG2 4.47Å; I139-T294 HydrophobicContact CG2-CG2 4.03Å
140	Q	25.7	Very low	26.6	Very low	41 Å²	41	117.8 Å²	117.8	19%	0.192	65%	0.652	C	S	.	*			trans	-63.4	-176	175.2	153.2	-173.2	-35.8	0	0	113.2	R101 D142 T294 E295 T296	R101-Q140 VanDerWaalsContact NH1-CD 3.27Å; Q140-D142 PolarHBondContact NE2-OD1 3.02Å; Q140-T294 VanDerWaalsContact C-C 3.49Å; Q140-T294 CarbonylContact C-O 3.55Å; Q140-T294 WeakPolarHBondContact CA-O 3.16Å; Q140-T294 WeakPolarHBondContact CB-O 3.31Å; Q140-T294 WeakPolarHBondContact CG-O 3.12Å; Q140-T294 VanDerWaalsContact N-CB 3.35Å; Q140-T294 PolarHBondContact N-OG1 3.49Å; Q140-T294 CarbonylContact O-C 3.53Å; Q140-E295 CarbonylContact O-C 3.55Å; Q140-E295 WeakPolarHBondContact O-CA 3.42Å; Q140-E295 PolarHBondContact O-N 2.86Å; Q140-T296 PolarHBondContact O-N 3.15Å; Q140-T296 PolarHBondContact O-OG1 2.78Å; Q140-T296 VanDerWaalsContact O-OG1 3.07Å
141	S	26.6	Very low	26.8	Very low	19 Å²	19	118.9 Å²	118.9	13%	0.133	65%	0.652	C	S	.	*			trans	-141.7	149.8	153.2	-150.4	0	0	0	0	118	E295 T296 R297	S141-E295 VanDerWaalsContact CA-C 3.45Å; S141-E295 VanDerWaalsContact CA-CA 3.46Å; S141-E295 VanDerWaalsContact OG-C 3.27Å; S141-E295 PolarHBondContact OG-O 3.34Å; S141-T296 VanDerWaalsContact CA-N 3.26Å; S141-T296 WeakPolarHBondContact CB-O 3.08Å; S141-T296 WeakPolarHBondContact CB-OG1 3.15Å; S141-T296 PolarHBondContact N-OG1 3.07Å; S141-T296 WeakPolarHBondContact OG-CA 3.45Å; S141-T296 PolarHBondContact OG-N 2.02Å; S141-T296 VanDerWaalsContact OG-N 3.12Å; S141-T296 PolarHBondContact OG-O 3.26Å; S141-R297 PolarHBondContact OG-N 2.78Å
142	D	25	Very low	26.7	Very low	64 Å²	64	119.3 Å²	119.3	34%	0.342	65%	0.654	S	S	.	*			trans	-122.1	150.7	147.1	-29.8	-24	0	0	0	108.7	R101 Q140 W211 W214 E295	R101-D142 IonicContact NH2-OD1 2.84Å; Q140-D142 PolarHBondContact NE2-OD1 3.02Å; D142-W211 WeakPolarHBondContact OD2-CZ2 3.45Å; D142-W214 VanDerWaalsContact O-CH2 3.24Å; D142-W214 WeakPolarHBondContact O-CH2 3.29Å; D142-W214 WeakPolarHBondContact O-CZ3 3.47Å; D142-E295 VanDerWaalsContact C-OE1 3.27Å; D142-E295 VanDerWaalsContact CA-OE1 3.3Å; D142-E295 WeakPolarHBondContact CA-OE1 2.97Å; D142-E295 HydrophobicContact CB-CG 4.47Å; D142-E295 WeakPolarHBondContact CB-OE1 3.09Å; D142-E295 PolarHBondContact N-OE1 3.18Å; D142-E295 VanDerWaalsContact N-OE1 3.16Å
143	V	25.6	Very low	26.8	Very low	76 Å²	76	119.8 Å²	119.8	46%	0.461	65%	0.651	S	S	.	*			trans	-124.7	128.5	175.8	-162.8	0	0	0	0	109.2	W214 R297	V143-W214 HydrophobicContact CG1-CH2 4.24Å; V143-R297 HydrophobicContact CB-CB 4.08Å; V143-R297 HydrophobicContact CG1-CB 3.7Å; V143-R297 HydrophobicContact CG1-CG 4.44Å; V143-R297 HydrophobicContact CG2-CB 3.36Å
144	K	24.1	Very low	26.9	Very low	175 Å²	175	123.7 Å²	123.7	76%	0.761	65%	0.647	S	S	*	*			trans	-121.1	137.4	171.7	-82.6	-170	173.6	-175.9	0	112.2
145	H	25.8	Very low	26.8	Very low	171 Å²	171	129.2 Å²	129.2	79%	0.792	66%	0.661	S	S	*	*			trans	-132.2	135.6	168.6	-109.7	60.8	0	0	0	107.1
146	C	26.6	Very low	26.7	Very low	124 Å²	124	129.2 Å²	129.2	84%	0.838	67%	0.67	S	S	*	*			trans	174.2	90.1	161.1	-94.1	0	0	0	0	104.9
147	Q	29.8	Very low	26.9	Very low	180 Å²	180	126.6 Å²	126.6	84%	0.841	67%	0.669	S	S	*	*				87.1	112.2	78.2	-173	173.3	19.1	0	0	111.9
148	D	28.1	Very low	26.9	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	67%	0.67	S	S	*	*			trans	-67.3	134.4	173.6	-100.8	-36.7	0	0	0	111.3	L150	D148-L150 PolarHBondContact O-N 3.23Å
149	L	25.9	Very low	27	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	68%	0.682	S	S	*	*			trans	-85.3	93	180	-106.2	134.4	0	0	0	110.6
150	L	29.1	Very low	26.8	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	70%	0.698	S	S	*	*			trans	-148.4	48.1	170.6	-114	158.7	0	0	0	113.6	D148	D148-L150 PolarHBondContact O-N 3.23Å
151	Q	30.6	Very low	26.9	Very low	191 Å²	191	142.2 Å²	142.2	89%	0.893	73%	0.725	S	S	*	*			trans	-147.4	40.4	165.6	-122.2	175.4	44.7	0	0	114.2
152	C	25.5	Very low	26.9	Very low	105 Å²	105	145.6 Å²	145.6	71%	0.709	75%	0.749	S	S	*	*			trans	-87.7	148.4	148.6	-74.1	0	0	0	0	108.3
153	I	27.5	Very low	26.7	Very low	142 Å²	142	151.1 Å²	151.1	73%	0.728	77%	0.77	S	S	*	*	S	Bend	trans	85.6	137.9	-171.2	-46.9	161.6	0	0	0	112.9
154	Y	27.1	Very low	26.8	Very low	221 Å²	221	155.4 Å²	155.4	87%	0.867	79%	0.785	S	S	*	*			trans	83.6	51.4	-178.4	-55.7	-64.3	0	0	0	119.5
155	K	27.8	Very low	26.7	Very low	200 Å²	200	151 Å²	151	87%	0.87	78%	0.781	S	S	*	*			trans	-157.9	118.2	138.3	-99.1	165	-170.9	175.1	0	104.1
156	T	26.6	Very low	26.7	Very low	129 Å²	129	151.4 Å²	151.4	79%	0.791	79%	0.788	S	S	*	*	S	Bend	cis	-154.6	176.6	24.9	42	0	0	0	0	112.1
157	S	27.8	Very low	26.6	Very low	107 Å²	107	149.9 Å²	149.9	75%	0.748	78%	0.779	S	S	*	*			trans	78.1	108.5	162.7	74.7	0	0	0	0	121.2
158	S	28.1	Very low	26.3	Very low	101 Å²	101	150.5 Å²	150.5	71%	0.706	78%	0.779	S	S	*	*			trans	76.9	113.7	130.5	65.9	0	0	0	0	122.7
159	R	25.8	Very low	26.1	Very low	224 Å²	224	148.9 Å²	148.9	85%	0.845	78%	0.779	S	S	*	*			trans	84.7	97.5	132.4	-71.4	179.9	177.2	176.4	-0.7	120.5
160	N	24.9	Very low	26.3	Very low	127 Å²	127	147 Å²	147	68%	0.679	78%	0.779	S	S	*	*				88.6	144.3	117.4	-67	10.7	0	0	0	120.9
161	H	27.7	Very low	26.1	Very low	161 Å²	161	146.7 Å²	146.7	75%	0.745	78%	0.777	S	S	*	*			trans	75.7	106.2	166.8	-60.1	-59.5	0	0	0	116.2
162	S	24.7	Very low	25.9	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	77%	0.77	S	S	*	*				72.9	134.9	60.1	75.7	0	0	0	0	112.7
163	F	22.8	Very low	25.9	Very low	180 Å²	180	146.9 Å²	146.9	79%	0.789	77%	0.769	S	S	*	*			cis	-170.5	169	-6.1	-130.2	-90.1	0	0	0	106.1
164	H	26.1	Very low	25.8	Very low	166 Å²	166	148.6 Å²	148.6	77%	0.769	77%	0.772	S	S	*	*			trans	67.7	132.5	175.3	-55	-75.8	0	0	0	116.3
165	A	22.8	Very low	25.7	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	76%	0.759	S	S	*	*			cis	78.4	106.6	36	0	0	0	0	0	115
166	L	25.3	Very low	25.7	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	75%	0.752	S	S	*	*				173.8	172.6	129	-92.4	165.9	0	0	0	112.3
167	S	24.1	Very low	25.9	Very low	92 Å²	92	141 Å²	141	64%	0.643	76%	0.756	S	S	*	*			trans	-109.8	163.4	-158.4	64.1	0	0	0	0	116.7
168	K	24.7	Very low	25.8	Very low	194 Å²	194	142.5 Å²	142.5	84%	0.843	77%	0.765	S	S	*	*			trans	78.9	133	146.1	-84.2	177.7	175	176.9	0	121
169	S	23.9	Very low	25.9	Very low	114 Å²	114	141 Å²	141	80%	0.797	77%	0.766	S	S	*	*			trans	97.7	156.9	134.1	78.2	0	0	0	0	121.6
170	S	30	Very low	26	Very low	117 Å²	117	139.5 Å²	139.5	82%	0.818	77%	0.768	S	S	*	*			trans	79.5	107.5	-170.9	70.5	0	0	0	0	113.7
171	L	24.7	Very low	26.2	Very low	157 Å²	157	141.1 Å²	141.1	82%	0.822	78%	0.777	S	S	*	*			cis	68	111.5	37.5	-103.9	171.8	0	0	0	115.1
172	K	25.3	Very low	26.3	Very low	171 Å²	171	137.1 Å²	137.1	74%	0.743	78%	0.778	S	S	*	*			trans	110.1	136.9	143.3	-72.7	-172.3	175	178.6	0	121.3
173	N	26.3	Very low	26.2	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	79%	0.791	S	S	*	*			trans	82.2	143.6	149.8	-61.8	-6.7	0	0	0	118
174	F	24.4	Very low	26.5	Very low	179 Å²	179	138.1 Å²	138.1	79%	0.785	79%	0.794	S	S	*	*			cis	-163.6	166.4	3.1	-135.9	-136.9	0	0	0	113.4
175	S	26.8	Very low	26.4	Very low	86 Å²	86	139.3 Å²	139.3	60%	0.601	80%	0.797	S	S	*	*			trans	54.3	118.2	149.3	-153.8	0	0	0	0	119.5
176	S	27.6	Very low	26.6	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	80%	0.804	S	S	*	*			cis	72.9	119.6	47.6	90.6	0	0	0	0	116.2
177	K	29.7	Very low	26.5	Very low	203 Å²	203	140 Å²	140	88%	0.883	80%	0.796	S	S	*	*			trans	172.3	113.9	135.8	-98.5	176.7	178.6	-173.7	0	112.1
178	C	26.5	Very low	26.5	Very low	138 Å²	138	141.5 Å²	141.5	93%	0.932	80%	0.801	S	S	*	*			trans	-81.6	144.8	146.7	-66.6	0	0	0	0	107.7
179	G	29.2	Very low	26.6	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	80%	0.797	S	S	*	*			trans	-126.7	121	-176.9	0	0	0	0	0	112.5	N181	G179-N181 PolarHBondContact O-N 3.26Å; G179-N181 VanDerWaalsContact O-N 3.16Å
180	E	28.7	Very low	26.6	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	80%	0.799	S	S	*	*	S	Bend	trans	15.3	82.3	144.2	-64.1	167.9	173.8	0	0	117.2
181	N	29.9	Very low	26.5	Very low	161 Å²	161	143.9 Å²	143.9	86%	0.861	80%	0.804	S	S	*	*	S	Bend		161.5	121	129.4	-80.9	-29.6	0	0	0	111.2	G179	G179-N181 PolarHBondContact O-N 3.26Å; G179-N181 VanDerWaalsContact O-N 3.16Å
182	G	28.8	Very low	26.5	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	80%	0.803	S	S	*	*			trans	68.2	99.8	159.2	0	0	0	0	0	117.7
183	C	23.6	Very low	26.5	Very low	134 Å²	134	144.7 Å²	144.7	91%	0.905	81%	0.807	S	S	*	*			trans	-80.8	128.4	137.9	-63.5	0	0	0	0	106.1
184	D	27.3	Very low	26.5	Very low	159 Å²	159	145 Å²	145	85%	0.85	81%	0.808	S	S	*	*			trans	-140.7	139.7	170.9	-133.4	-18.4	0	0	0	112.4
185	F	24.8	Very low	26.6	Very low	191 Å²	191	143.2 Å²	143.2	84%	0.838	80%	0.804	S	S	*	*			trans	-109.7	135.3	-177.6	-105.5	-100.2	0	0	0	108.5
186	T	27.1	Very low	26.6	Very low	135 Å²	135	145.4 Å²	145.4	83%	0.828	81%	0.805	S	S	*	*			trans	-174.1	111.8	153.9	24.1	0	0	0	0	105.7
187	D	22.8	Very low	26.5	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	80%	0.797	S	S	*	*				66.4	106.1	56.2	-162.7	15.8	0	0	0	113.2
188	T	24.4	Very low	26.3	Very low	123 Å²	123	142.3 Å²	142.3	76%	0.755	79%	0.79	S	S	*	*			trans	178.1	142.9	134.1	24.2	0	0	0	0	115
189	T	27.8	Very low	26.2	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	78%	0.78	S	S	*	*			trans	70.9	94.3	150.4	52.4	0	0	0	0	121.7
190	E	23.7	Very low	26.1	Very low	177 Å²	177	146.9 Å²	146.9	83%	0.827	78%	0.779	S	S	*	*				6.6	128.7	128.5	-55.2	-176.5	124.7	0	0	119.8
191	N	27.6	Very low	26.1	Very low	173 Å²	173	143.7 Å²	143.7	93%	0.925	77%	0.773	S	S	*	*				-158.8	141.6	118.4	-104	-48.9	0	0	0	112.4
192	K	23.8	Very low	26.4	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	75%	0.752	S	S	*	*			trans	-85.3	146.1	-178.5	-65.2	167.8	174.8	164.8	0	111.5
193	I	26.5	Very low	26.3	Very low	160 Å²	160	144.9 Å²	144.9	82%	0.821	75%	0.745	S	S	*	*				161.1	100.2	121.4	-79	153.3	0	0	0	110.9
194	N	24.5	Very low	26.5	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	74%	0.738	S	S	*	*			trans	25.5	133.5	145.2	-61.5	11	0	0	0	124.7
195	M	26.6	Very low	27.2	Very low	142 Å²	142	141.1 Å²	141.1	70%	0.7	72%	0.721	S	S	*	*			trans	65.7	141.6	130.1	-65.7	167.7	82.6	0	0	119.1
196	E	27.1	Very low	27.6	Very low	133 Å²	133	135.2 Å²	135.2	62%	0.621	70%	0.696	S	S	*	*			cis	-168.7	173	-3.6	-124.4	168.5	-171.8	0	0	109.5	K270	E196-K270 PolarHBondContact O-NZ 3.08Å
197	D	25.1	Very low	27.8	Very low	103 Å²	103	136.2 Å²	136.2	55%	0.551	69%	0.685	S	S	*	*			trans	97.3	90.1	168	-60.5	-50.7	0	0	0	119.1	K270	D197-K270 HydrophobicContact CB-CD 4.19Å; D197-K270 VanDerWaalsContact OD2-CD 3.24Å; D197-K270 WeakPolarHBondContact OD2-CD 3.1Å; D197-K270 WeakPolarHBondContact OD2-CE 3.32Å; D197-K270 IonicContact OD2-NZ 2.66Å; D197-K270 PolarHBondContact OD2-NZ 2.92Å
198	N	26.5	Very low	28.6	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	68%	0.677	S	S	*	*			trans	-162	130	161	-129.6	12.1	0	0	0	107.3
199	W	24.9	Very low	29.5	Very low	191 Å²	191	133.9 Å²	133.9	72%	0.723	67%	0.67	S	S	*	*			cis	-167.7	115.9	-18.2	-116.2	18.4	0	0	0	109.2	T201	W199-T201 VanDerWaalsContact C-N 3.31Å; W199-T201 PolarHBondContact O-N 3.44Å; W199-T201 PolarHBondContact O-OG1 3.25Å
200	T	26.7	Very low	30.2	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	64%	0.637	S	S	*	*			trans	57.9	-5.5	143.9	58.1	0	0	0	0	122.8	E202	T200-E202 PolarHBondContact O-N 3.39Å
201	T	29.4	Very low	31.1	Very low	125 Å²	125	122 Å²	122	77%	0.767	60%	0.604	S	S	*	*	S	Bend	trans	-73.2	-19.7	-176.9	-32.5	0	0	0	0	111.7	W199	W199-T201 VanDerWaalsContact C-N 3.31Å; W199-T201 PolarHBondContact O-N 3.44Å; W199-T201 PolarHBondContact O-OG1 3.25Å
202	E	35.4	Very low	32.1	Very low	93 Å²	93	115 Å²	115	44%	0.435	57%	0.573	S	S	.	*	S	Bend	trans	-97.9	-18.1	-157.2	-62.4	96.7	168.6	0	0	116.3	T200 L204 S205 E206	T200-E202 PolarHBondContact O-N 3.39Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 2.88Å; E202-L204 VanDerWaalsContact O-N 3.13Å; E202-S205 PolarHBondContact O-N 3.17Å; E202-S205 PolarHBondContact O-OG 2.78Å; E202-E206 WeakPolarHBondContact CB-OE1 3.49Å; E202-E206 WeakPolarHBondContact O-CG 3.1Å; E202-E206 PolarHBondContact O-N 3.31Å
203	R	26	Very low	33.3	Very low	168 Å²	168	110 Å²	110	63%	0.634	56%	0.56	S	S	*	*	H	α-helix	trans	-68.6	-15.3	-165.5	-95.1	177.7	-163.1	156.6	12.4	118.4	E206 R207	R203-E206 WeakPolarHBondContact CA-OE2 3.26Å; R203-E206 WeakPolarHBondContact CG-OE2 3.07Å; R203-R207 PolarHBondContact O-N 3.31Å
204	L	29.6	Very low	34.2	Very low	143 Å²	143	105.2 Å²	105.2	75%	0.749	53%	0.531	S	S	*	.	H	α-helix	trans	-95.6	-22.5	176.6	-81.7	162.9	0	0	0	113	E202 R207	E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 2.88Å; E202-L204 VanDerWaalsContact O-N 3.13Å; L204-R207 HydrophobicContact CD2-CB 4.45Å
205	S	40.8	Very low	35.5	Very low	72 Å²	72	102.2 Å²	102.2	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-68	-36.5	157.5	24.2	0	0	0	0	111.2	E202 R207 S208	E202-S205 PolarHBondContact O-N 3.17Å; E202-S205 PolarHBondContact O-OG 2.78Å; S205-R207 VanDerWaalsContact C-N 3.28Å; S205-R207 PolarHBondContact O-N 3.33Å; S205-S208 PolarHBondContact O-N 3.24Å; S205-S208 PolarHBondContact O-OG 2.83Å
206	E	33.7	Very low	36.5	Very low	67 Å²	67	98.8 Å²	98.8	31%	0.313	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-25.2	173.6	-65.4	164.9	-174.9	0	0	112.6	E202 R203 S208 E209 I210	E202-E206 WeakPolarHBondContact CB-OE1 3.49Å; E202-E206 WeakPolarHBondContact O-CG 3.1Å; E202-E206 PolarHBondContact O-N 3.31Å; R203-E206 WeakPolarHBondContact CA-OE2 3.26Å; R203-E206 WeakPolarHBondContact CG-OE2 3.07Å; E206-S208 VanDerWaalsContact C-N 3.28Å; E206-S208 PolarHBondContact O-N 2.77Å; E206-E209 WeakPolarHBondContact O-CA 3.4Å; E206-E209 WeakPolarHBondContact O-CB 3.49Å; E206-E209 PolarHBondContact O-N 2.85Å; E206-I210 PolarHBondContact O-N 3.17Å
207	R	30.1	Very low	37.6	Very low	155 Å²	155	95.2 Å²	95.2	59%	0.585	49%	0.49	S	S	*	.	H	α-helix	trans	-72.7	-18.1	178.4	-131.3	-177.1	-167.4	175.8	5.5	115	R203 L204 S205 E209 I210	R203-R207 PolarHBondContact O-N 3.31Å; L204-R207 HydrophobicContact CD2-CB 4.45Å; S205-R207 VanDerWaalsContact C-N 3.28Å; S205-R207 PolarHBondContact O-N 3.33Å; R207-E209 VanDerWaalsContact C-N 3.27Å; R207-I210 HydrophobicContact CB-CD1 4.45Å; R207-I210 HydrophobicContact CG-CD1 3.54Å; R207-I210 HydrophobicContact CG-CG1 4.37Å
208	S	40.3	Very low	38.6	Very low	85 Å²	85	94.3 Å²	94.3	59%	0.594	48%	0.482	S	S	*	.	H	α-helix	trans	-79.5	-5.9	164.5	17	0	0	0	0	113.5	S205 E206	S205-S208 PolarHBondContact O-N 3.24Å; S205-S208 PolarHBondContact O-OG 2.83Å; E206-S208 VanDerWaalsContact C-N 3.28Å; E206-S208 PolarHBondContact O-N 2.77Å
209	E	43.9	Very low	39.5	Very low	129 Å²	129	91.3 Å²	91.3	60%	0.603	46%	0.464	S	S	*	.	H	α-helix	trans	-101.8	-32.7	177.2	-51.1	173.9	162	0	0	111	E206 R207 W211	E206-E209 WeakPolarHBondContact O-CA 3.4Å; E206-E209 WeakPolarHBondContact O-CB 3.49Å; E206-E209 PolarHBondContact O-N 2.85Å; R207-E209 VanDerWaalsContact C-N 3.27Å; E209-W211 PolarHBondContact O-N 2.71Å
210	I	41.7	Very low	40.4	Very low	14 Å²	14	84.4 Å²	84.4	7%	0.072	44%	0.444	C	S	.	.	H	α-helix	trans	-51.6	-45.5	165	-62	-177.9	0	0	0	110	E206 R207 L262 L263 E265	E206-I210 PolarHBondContact O-N 3.17Å; R207-I210 HydrophobicContact CB-CD1 4.45Å; R207-I210 HydrophobicContact CG-CD1 3.54Å; R207-I210 HydrophobicContact CG-CG1 4.37Å; I210-L262 HydrophobicContact CG2-CD1 3.25Å; I210-L262 HydrophobicContact CG2-CG 3.94Å; I210-L262 CarbonylContact O-C 3.4Å; I210-L262 VanDerWaalsContact O-C 3.32Å; I210-L262 VanDerWaalsContact O-CA 3.31Å; I210-L262 WeakPolarHBondContact O-CA 2.99Å; I210-L263 WeakPolarHBondContact CG2-O 3.03Å; I210-L263 WeakPolarHBondContact O-CB 3.47Å; I210-L263 PolarHBondContact O-N 2.92Å; I210-E265 HydrophobicContact CD1-CG 3.67Å; I210-E265 WeakPolarHBondContact CD1-OE2 3.46Å; I210-E265 HydrophobicContact CG1-CG 4.01Å
211	W	42.1	Very low	41.3	Very low	38 Å²	38	81.4 Å²	81.4	14%	0.144	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-109.8	123.5	-178.7	-65.9	97.6	0	0	0	111.7	D142 E209 K261 L262 I293 E295	D142-W211 WeakPolarHBondContact OD2-CZ2 3.45Å; E209-W211 PolarHBondContact O-N 2.71Å; W211-K261 CarbonylContact C-O 3.56Å; W211-K261 WeakPolarHBondContact CA-O 3.4Å; W211-K261 VanDerWaalsContact CE3-C 3.41Å; W211-L262 HydrophobicContact CD2-CB 3.92Å; W211-L262 HydrophobicContact CD2-CD1 3.61Å; W211-L262 HydrophobicContact CD2-CG 4.38Å; W211-L262 VanDerWaalsContact CE3-CA 3.46Å; W211-L262 HydrophobicContact CE3-CB 3.55Å; W211-L262 HydrophobicContact CE3-CD1 4.14Å; W211-L262 HydrophobicContact CE3-CG 4.48Å; W211-L262 HydrophobicContact CG-CD1 4.19Å; W211-L262 HydrophobicContact CH2-CB 3.95Å; W211-L262 HydrophobicContact CH2-CD1 4.07Å; W211-L262 HydrophobicContact CZ2-CB 4.21Å; W211-L262 HydrophobicContact CZ2-CD1 3.44Å; W211-L262 VanDerWaalsContact CZ2-CD1 3.44Å; W211-L262 HydrophobicContact CZ2-CG 4.36Å; W211-L262 HydrophobicContact CZ3-CB 3.58Å; W211-L262 HydrophobicContact CZ3-CD1 4.35Å; W211-L262 VanDerWaalsContact NE1-CD1 3.32Å; W211-I293 HydrophobicContact CH2-CG2 3.32Å; W211-I293 HydrophobicContact CZ2-CG2 4.18Å; W211-I293 HydrophobicContact CZ3-CG2 3.71Å; W211-E295 HydrophobicContact CE3-CB 3.9Å; W211-E295 VanDerWaalsContact CE3-CD 3.42Å; W211-E295 HydrophobicContact CE3-CG 3.96Å; W211-E295 HydrophobicContact CH2-CG 4.21Å; W211-E295 HydrophobicContact CZ3-CB 3.68Å; W211-E295 VanDerWaalsContact CZ3-CD 3.4Å; W211-E295 HydrophobicContact CZ3-CG 3.58Å; W211-E295 VanDerWaalsContact CZ3-OE2 3.25Å; W211-E295 WeakPolarHBondContact CZ3-OE2 3.1Å
212	G	49.9	Very low	41.9	Very low	26 Å²	26	76.6 Å²	76.6	27%	0.268	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-59.3	173.5	-179.8	0	0	0	0	0	114.9	R260 K261	G212-R260 WeakPolarHBondContact O-CB 3.18Å; G212-R260 WeakPolarHBondContact O-CD 3.17Å; G212-R260 WeakPolarHBondContact O-CG 3.2Å; G212-K261 PolarHBondContact N-O 3.36Å
213	P	49.5	Very low	42.5	Very low	80 Å²	80	75 Å²	75	52%	0.519	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-73.3	150.9	169.7	31	-34.7	0	0	0	111.4	R260	P213-R260 VanDerWaalsContact O-CB 3.25Å; P213-R260 WeakPolarHBondContact O-CB 3.36Å
214	W	44.5	Very low	43	Very low	60 Å²	60	68.4 Å²	68.4	23%	0.227	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68	143.4	176.7	-41.2	92.3	0	0	0	112.4	D142 V143 Q258 I259 R260 R297	D142-W214 VanDerWaalsContact O-CH2 3.24Å; D142-W214 WeakPolarHBondContact O-CH2 3.29Å; D142-W214 WeakPolarHBondContact O-CZ3 3.47Å; V143-W214 HydrophobicContact CG1-CH2 4.24Å; W214-Q258 HydrophobicContact CB-CB 4.28Å; W214-I259 CarbonylContact C-O 3.59Å; W214-R260 VanDerWaalsContact CD2-CD 3.5Å; W214-R260 HydrophobicContact CD2-CG 4.11Å; W214-R260 HydrophobicContact CE3-CB 4.43Å; W214-R260 VanDerWaalsContact CE3-CD 3.46Å; W214-R260 HydrophobicContact CE3-CG 3.67Å; W214-R260 VanDerWaalsContact CH2-NH2 3.34Å; W214-R260 VanDerWaalsContact CZ2-NE 3.27Å; W214-R260 HydrophobicContact CZ3-CG 3.98Å; W214-R297 VanDerWaalsContact CD2-CD 3.41Å; W214-R297 HydrophobicContact CD2-CG 3.93Å; W214-R297 VanDerWaalsContact CD2-CZ 3.47Å; W214-R297 VanDerWaalsContact CE2-CZ 3.5Å; W214-R297 HydrophobicContact CE3-CB 3.62Å; W214-R297 HydrophobicContact CE3-CG 3.35Å; W214-R297 VanDerWaalsContact CG-NE 3.28Å; W214-R297 HydrophobicContact CH2-CB 4.21Å; W214-R297 HydrophobicContact CH2-CG 4.47Å; W214-R297 HydrophobicContact CZ3-CB 3.42Å; W214-R297 VanDerWaalsContact CZ3-CB 3.42Å; W214-R297 HydrophobicContact CZ3-CG 3.7Å
215	T	52	Low	43.1	Very low	72 Å²	72	65.6 Å²	65.6	44%	0.442	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130	179.3	52.5	0	0	0	0	112.2	L217 Q258 I259	T215-L217 PolarHBondContact O-N 3.16Å; T215-Q258 CarbonylContact O-C 3.56Å; T215-Q258 WeakPolarHBondContact O-CA 3.48Å; T215-I259 PolarHBondContact N-O 2.93Å; T215-I259 WeakPolarHBondContact O-CG2 3.1Å; T215-I259 PolarHBondContact O-N 3.04Å; T215-I259 WeakPolarHBondContact OG1-CG2 3.31Å; T215-I259 PolarHBondContact OG1-O 2.72Å
216	T	47.1	Very low	42.9	Very low	70 Å²	70	67.7 Å²	67.7	43%	0.429	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.9	-170.7	-57.4	0	0	0	0	112.8	Q218 E219 Q256 L257 Q258	T216-Q218 WeakPolarHBondContact CG2-O 3.45Å; T216-E219 HydrophobicContact CG2-CG 3.97Å; T216-Q256 HydrophobicContact CG2-CG 3.57Å; T216-Q256 PolarHBondContact OG1-NE2 3.01Å; T216-L257 CarbonylContact C-O 3.31Å; T216-L257 WeakPolarHBondContact CA-O 3.36Å; T216-Q258 HydrophobicContact CG2-CG 4.49Å; T216-Q258 PolarHBondContact OG1-NE2 2.91Å
217	L	49.6	Very low	43.1	Very low	59 Å²	59	65.8 Å²	65.8	31%	0.309	36%	0.364	S	S	.	.	S	Bend	trans	-106.4	-28.1	-174.1	-172	169.5	0	0	0	111.1	V104 T215 L257 I259 T296	V104-L217 HydrophobicContact CB-CD2 4.27Å; V104-L217 HydrophobicContact CG1-CD2 4.06Å; V104-L217 HydrophobicContact CG2-CD2 4.17Å; T215-L217 PolarHBondContact O-N 3.16Å; L217-L257 HydrophobicContact CB-CB 3.77Å; L217-L257 HydrophobicContact CD2-CB 3.83Å; L217-L257 HydrophobicContact CD2-CD2 4.21Å; L217-L257 HydrophobicContact CD2-CG 4.43Å; L217-L257 HydrophobicContact CG-CB 4.25Å; L217-L257 PolarHBondContact N-O 2.9Å; L217-I259 HydrophobicContact CB-CG2 4.44Å; L217-I259 HydrophobicContact CD1-CB 4.06Å; L217-I259 HydrophobicContact CD1-CD1 4.12Å; L217-I259 HydrophobicContact CD1-CG2 4.17Å; L217-T296 HydrophobicContact CD1-CG2 3.77Å
218	Q	46	Very low	43.3	Very low	83 Å²	83	65.2 Å²	65.2	39%	0.388	37%	0.372	S	S	.	.	S	Bend	trans	-140.8	147.1	162.9	173.6	173.1	-4.3	0	0	106.9	T216 S221 Q256 L257	T216-Q218 WeakPolarHBondContact CG2-O 3.45Å; Q218-S221 PolarHBondContact NE2-OG 2.91Å; Q218-Q256 CarbonylContact O-C 3.13Å; Q218-Q256 WeakPolarHBondContact O-CA 3.44Å; Q218-Q256 WeakPolarHBondContact O-CB 3.37Å; Q218-Q256 WeakPolarHBondContact O-CG 3.34Å; Q218-L257 HydrophobicContact CB-CB 3.93Å; Q218-L257 HydrophobicContact CB-CD1 3.73Å; Q218-L257 HydrophobicContact CB-CG 4.44Å; Q218-L257 HydrophobicContact CG-CD1 4.46Å; Q218-L257 PolarHBondContact N-O 3Å; Q218-L257 PolarHBondContact O-N 2.84Å; Q218-L257 VanDerWaalsContact O-O 3.08Å
219	E	46.4	Very low	43.2	Very low	75 Å²	75	66.7 Å²	66.7	35%	0.35	37%	0.37	S	S	.	.			trans	-93.8	158.1	172.4	-79.1	-177	-145.4	0	0	111.9	T216 S221 L255 R336	T216-E219 HydrophobicContact CG2-CG 3.97Å; E219-S221 PolarHBondContact O-N 3.28Å; E219-S221 PolarHBondContact O-OG 3.48Å; E219-L255 CarbonylContact C-O 3.56Å; E219-L255 VanDerWaalsContact C-O 3.31Å; E219-R336 IonicContact OE1-CZ 3.65Å; E219-R336 IonicContact OE1-NE 3.36Å; E219-R336 IonicContact OE1-NH1 3.78Å; E219-R336 PolarHBondContact OE1-NH1 2.95Å; E219-R336 VanDerWaalsContact OE1-NH1 3.09Å; E219-R336 IonicContact OE1-NH2 2.76Å; E219-R336 WeakPolarHBondContact OE2-CD 3.37Å; E219-R336 IonicContact OE2-CZ 3.29Å; E219-R336 IonicContact OE2-NE 2.77Å; E219-R336 IonicContact OE2-NH1 2.97Å; E219-R336 PolarHBondContact OE2-NH1 3.03Å
220	C	44.3	Very low	42.8	Very low	45 Å²	45	64.4 Å²	64.4	30%	0.304	36%	0.361	S	S	.	.			trans	-59.7	82.9	-178.7	-76	0	0	0	0	112.9	L255 Q256 C301	C220-L255 WeakPolarHBondContact CA-O 3.49Å; C220-Q256 HydrophobicContact CB-CB 4.35Å; C220-Q256 WeakPolarHBondContact SG-CB 3.45Å; C220-C301 HydrophobicContact CB-CB 3.53Å; C220-C301 WeakPolarHBondContact CB-SG 3.26Å; C220-C301 WeakPolarHBondContact SG-CB 3.5Å; C220-C301 PolarHBondContact SG-N 3.36Å; C220-C301 VanDerWaalsContact SG-N 3.38Å; C220-C301 CovalentContact SG-SG 2.01Å; C220-C301 PolarHBondContact SG-SG 2.84Å
221	S	44	Very low	42.5	Very low	51 Å²	51	70.9 Å²	70.9	36%	0.357	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.8	169.8	14.6	0	0	0	0	106.3	Q218 E219 I223 G254 L255	Q218-S221 PolarHBondContact NE2-OG 2.91Å; E219-S221 PolarHBondContact O-N 3.28Å; E219-S221 PolarHBondContact O-OG 3.48Å; S221-I223 PolarHBondContact O-N 2.8Å; S221-G254 CarbonylContact O-C 3.58Å; S221-G254 WeakPolarHBondContact O-CA 3.08Å; S221-L255 PolarHBondContact O-N 2.81Å
222	A	43.2	Very low	42.5	Very low	23 Å²	23	78.9 Å²	78.9	19%	0.19	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	133.9	162.4	0	0	0	0	0	106.9	I224 P225 E252 P253	A222-I224 PolarHBondContact O-N 2.76Å; A222-P225 WeakPolarHBondContact O-CD 3.44Å; A222-E252 HydrophobicContact CB-CB 4.22Å; A222-P253 WeakPolarHBondContact CA-O 3.32Å
223	I	47.8	Very low	42.1	Very low	59 Å²	59	86.1 Å²	86.1	30%	0.303	46%	0.461	S	S	.	.	S	Bend	trans	-65.9	-11.8	-168.2	-61.3	163.4	0	0	0	111.3	S221 I227 W236 P253	S221-I223 PolarHBondContact O-N 2.8Å; I223-I227 HydrophobicContact CG2-CD1 4.19Å; I223-I227 WeakPolarHBondContact O-CD1 3.24Å; I223-I227 WeakPolarHBondContact O-CG1 2.98Å; I223-W236 HydrophobicContact CB-CH2 3.78Å; I223-W236 HydrophobicContact CB-CZ2 3.9Å; I223-W236 HydrophobicContact CB-CZ3 4.18Å; I223-W236 HydrophobicContact CD1-CH2 3.53Å; I223-W236 HydrophobicContact CD1-CZ2 4.27Å; I223-W236 HydrophobicContact CD1-CZ3 4.14Å; I223-W236 HydrophobicContact CG1-CH2 4.24Å; I223-W236 HydrophobicContact CG2-CH2 3.66Å; I223-W236 HydrophobicContact CG2-CZ2 3.29Å; I223-W236 HydrophobicContact CG2-CZ3 4.46Å; I223-P253 HydrophobicContact CD1-CB 4.49Å; I223-P253 HydrophobicContact CD1-CG 4.41Å; I223-P253 WeakPolarHBondContact CG1-O 3.39Å; I223-P253 PolarHBondContact N-O 3.46Å; I223-P253 VanDerWaalsContact N-O 3.09Å
224	I	36.6	Very low	41.6	Very low	30 Å²	30	88.5 Å²	88.5	15%	0.154	46%	0.46	C	S	.	.	S	Bend	trans	-83.3	-36.3	-164.9	-62.1	149	0	0	0	116.9	A222 T226 I227 W236 L240 E252	A222-I224 PolarHBondContact O-N 2.76Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 3.2Å; I224-I227 WeakPolarHBondContact O-CB 2.92Å; I224-I227 WeakPolarHBondContact O-CG1 3.39Å; I224-I227 PolarHBondContact O-N 2.98Å; I224-W236 HydrophobicContact CG1-CB 4.2Å; I224-W236 HydrophobicContact CG1-CD2 4.28Å; I224-W236 HydrophobicContact CG1-CE3 4.29Å; I224-W236 HydrophobicContact CG1-CG 4.21Å; I224-L240 HydrophobicContact CD1-CD1 3.88Å; I224-L240 HydrophobicContact CD1-CD2 3.95Å; I224-L240 HydrophobicContact CD1-CG 4.32Å; I224-L240 HydrophobicContact CG1-CD1 4.46Å; I224-E252 HydrophobicContact CD1-CB 4.23Å; I224-E252 HydrophobicContact CD1-CG 4.03Å; I224-E252 WeakPolarHBondContact CD1-OE2 3.48Å
225	P	32	Very low	41.5	Very low	85 Å²	85	89.1 Å²	89.1	55%	0.552	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.7	-174.6	-20.4	35.2	0	0	0	116.3	A222 I227	A222-P225 WeakPolarHBondContact O-CD 3.44Å; P225-I227 VanDerWaalsContact C-N 3.31Å
226	T	36.7	Very low	41.1	Very low	115 Å²	115	87.1 Å²	87.1	71%	0.706	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	19.3	166.3	53.2	0	0	0	0	112	I224	I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 3.2Å
227	I	37.9	Very low	41	Very low	27 Å²	27	90.9 Å²	90.9	14%	0.138	47%	0.469	C	S	.	.			trans	-108.1	-8.7	178.2	-49.7	-156.4	0	0	0	110.4	I223 I224 P225 E229 L230 W236	I223-I227 HydrophobicContact CG2-CD1 4.19Å; I223-I227 WeakPolarHBondContact O-CD1 3.24Å; I223-I227 WeakPolarHBondContact O-CG1 2.98Å; I224-I227 WeakPolarHBondContact O-CB 2.92Å; I224-I227 WeakPolarHBondContact O-CG1 3.39Å; I224-I227 PolarHBondContact O-N 2.98Å; P225-I227 VanDerWaalsContact C-N 3.31Å; I227-E229 PolarHBondContact O-N 3.09Å; I227-E229 VanDerWaalsContact O-N 3.15Å; I227-L230 HydrophobicContact CB-CB 4.38Å; I227-L230 HydrophobicContact CB-CD1 3.99Å; I227-L230 HydrophobicContact CD1-CD1 3.96Å; I227-L230 HydrophobicContact CG1-CD1 3.78Å; I227-L230 HydrophobicContact CG2-CB 3.83Å; I227-L230 HydrophobicContact CG2-CD1 3.76Å; I227-L230 HydrophobicContact CG2-CG 4.34Å; I227-L230 WeakPolarHBondContact O-CB 3.41Å; I227-L230 PolarHBondContact O-N 3.29Å; I227-W236 HydrophobicContact CD1-CD2 4.21Å; I227-W236 HydrophobicContact CD1-CG 3.89Å
228	D	33.9	Very low	40.8	Very low	144 Å²	144	93.7 Å²	93.7	77%	0.77	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-8	167.6	-58.7	-28.8	0	0	0	112.5
229	E	38.7	Very low	40.6	Very low	115 Å²	115	94.2 Å²	94.2	54%	0.537	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.8	164.5	-69.5	-163.2	170	0	0	113.8	I50 I227	I50-E229 HydrophobicContact CD1-CG 4.24Å; I50-E229 VanDerWaalsContact CD1-OE1 3.26Å; I50-E229 WeakPolarHBondContact CD1-OE1 3.1Å; I50-E229 WeakPolarHBondContact CD1-OE2 3.29Å; I227-E229 PolarHBondContact O-N 3.09Å; I227-E229 VanDerWaalsContact O-N 3.15Å
230	L	35.3	Very low	40.6	Very low	82 Å²	82	91.7 Å²	91.7	43%	0.429	48%	0.477	S	S	.	.	S	Bend	trans	-83.6	140.3	170.7	-78.1	170.1	0	0	0	109.5	I227 Y234	I227-L230 HydrophobicContact CB-CB 4.38Å; I227-L230 HydrophobicContact CB-CD1 3.99Å; I227-L230 HydrophobicContact CD1-CD1 3.96Å; I227-L230 HydrophobicContact CG1-CD1 3.78Å; I227-L230 HydrophobicContact CG2-CB 3.83Å; I227-L230 HydrophobicContact CG2-CD1 3.76Å; I227-L230 HydrophobicContact CG2-CG 4.34Å; I227-L230 WeakPolarHBondContact O-CB 3.41Å; I227-L230 PolarHBondContact O-N 3.29Å; L230-Y234 HydrophobicContact CD1-CD2 3.7Å; L230-Y234 HydrophobicContact CD1-CE2 4.2Å; L230-Y234 HydrophobicContact CD1-CG 4.2Å; L230-Y234 HydrophobicContact CD2-CD2 4.44Å
231	L	35.4	Very low	40.8	Very low	149 Å²	149	94.9 Å²	94.9	78%	0.78	49%	0.49	S	S	*	.			trans	-54.6	155.3	168.5	-74.7	143.7	0	0	0	110.6	E233	L231-E233 PolarHBondContact O-N 3.22Å
232	E	41.4	Very low	40.7	Very low	206 Å²	206	99.1 Å²	99.1	96%	0.963	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	14.8	-171.2	-59.2	176.9	139.8	0	0	115.7
233	E	42.7	Very low	40.8	Very low	178 Å²	178	100.8 Å²	100.8	83%	0.832	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	2.5	-166.8	-56.9	-170.1	145.3	0	0	114.5	L231	L231-E233 PolarHBondContact O-N 3.22Å
234	Y	37.8	Very low	40.6	Very low	130 Å²	130	109.9 Å²	109.9	51%	0.51	55%	0.547	S	S	.	.			trans	-92.6	124.4	-178.9	-141.4	-66.1	0	0	0	112.1	L230 W236	L230-Y234 HydrophobicContact CD1-CD2 3.7Å; L230-Y234 HydrophobicContact CD1-CE2 4.2Å; L230-Y234 HydrophobicContact CD1-CG 4.2Å; L230-Y234 HydrophobicContact CD2-CD2 4.44Å; Y234-W236 AromaticContact CD1-CD1 3.33Å; Y234-W236 AromaticContact CD1-CE2 3.8Å; Y234-W236 HydrophobicContact CD1-CG 4.38Å; Y234-W236 HydrophobicContact CD1-CZ2 4.43Å; Y234-W236 AromaticContact CD1-NE1 2.89Å; Y234-W236 AromaticContact CE1-CE2 3.73Å; Y234-W236 AromaticContact CE1-CZ2 3.89Å; Y234-W236 HydrophobicContact CE1-CZ2 3.89Å; Y234-W236 AromaticContact CE1-NE1 3.18Å; Y234-W236 AromaticContact CG-CD1 3.92Å; Y234-W236 AromaticContact CG-NE1 3.71Å; Y234-W236 PolarHBondContact O-N 3.02Å
235	P	43.7	Very low	41.2	Very low	73 Å²	73	109.8 Å²	109.8	47%	0.474	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	28.2	-164.5	29.8	-39.3	0	0	0	117.2	E237 L238 M239	P235-E237 VanDerWaalsContact C-N 3.34Å; P235-L238 HydrophobicContact CB-CB 4.17Å; P235-L238 WeakPolarHBondContact O-CB 3.42Å; P235-L238 PolarHBondContact O-N 3.24Å; P235-M239 PolarHBondContact O-N 3.47Å; P235-M239 VanDerWaalsContact O-N 3.15Å
236	W	43.7	Very low	41.9	Very low	30 Å²	30	109.7 Å²	109.7	11%	0.114	55%	0.55	C	S	.	*	H	α-helix	trans	-63.3	-40.5	173.3	-61.9	100.2	0	0	0	111.6	I223 I224 I227 Y234 L238 M239 L240 P253	I223-W236 HydrophobicContact CB-CH2 3.78Å; I223-W236 HydrophobicContact CB-CZ2 3.9Å; I223-W236 HydrophobicContact CB-CZ3 4.18Å; I223-W236 HydrophobicContact CD1-CH2 3.53Å; I223-W236 HydrophobicContact CD1-CZ2 4.27Å; I223-W236 HydrophobicContact CD1-CZ3 4.14Å; I223-W236 HydrophobicContact CG1-CH2 4.24Å; I223-W236 HydrophobicContact CG2-CH2 3.66Å; I223-W236 HydrophobicContact CG2-CZ2 3.29Å; I223-W236 HydrophobicContact CG2-CZ3 4.46Å; I224-W236 HydrophobicContact CG1-CB 4.2Å; I224-W236 HydrophobicContact CG1-CD2 4.28Å; I224-W236 HydrophobicContact CG1-CE3 4.29Å; I224-W236 HydrophobicContact CG1-CG 4.21Å; I227-W236 HydrophobicContact CD1-CD2 4.21Å; I227-W236 HydrophobicContact CD1-CG 3.89Å; Y234-W236 AromaticContact CD1-CD1 3.33Å; Y234-W236 AromaticContact CD1-CE2 3.8Å; Y234-W236 HydrophobicContact CD1-CG 4.38Å; Y234-W236 HydrophobicContact CD1-CZ2 4.43Å; Y234-W236 AromaticContact CD1-NE1 2.89Å; Y234-W236 AromaticContact CE1-CE2 3.73Å; Y234-W236 AromaticContact CE1-CZ2 3.89Å; Y234-W236 HydrophobicContact CE1-CZ2 3.89Å; Y234-W236 AromaticContact CE1-NE1 3.18Å; Y234-W236 AromaticContact CG-CD1 3.92Å; Y234-W236 AromaticContact CG-NE1 3.71Å; Y234-W236 PolarHBondContact O-N 3.02Å; W236-L238 PolarHBondContact O-N 3.3Å; W236-M239 HydrophobicContact CE3-CE 4.31Å; W236-M239 HydrophobicContact CE3-SD 4.15Å; W236-M239 HydrophobicContact CZ3-CE 3.89Å; W236-M239 HydrophobicContact CZ3-SD 4.04Å; W236-M239 PolarHBondContact O-N 3.2Å; W236-M239 VanDerWaalsContact O-N 3.12Å; W236-L240 HydrophobicContact CB-CD1 4.32Å; W236-L240 VanDerWaalsContact O-CB 3.29Å; W236-L240 WeakPolarHBondContact O-CB 3.43Å; W236-L240 WeakPolarHBondContact O-CD1 3.44Å; W236-L240 WeakPolarHBondContact O-CG 3.45Å; W236-L240 PolarHBondContact O-N 3.43Å; W236-P253 HydrophobicContact CZ3-CG 4.01Å
237	E	44.5	Very low	42.2	Very low	149 Å²	149	107.8 Å²	107.8	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-59.7	-35.1	173.6	-64.7	-157.2	132.4	0	0	112.5	P235 L240 N241	P235-E237 VanDerWaalsContact C-N 3.34Å; E237-L240 PolarHBondContact O-N 2.97Å; E237-N241 WeakPolarHBondContact O-CB 3.16Å; E237-N241 PolarHBondContact O-N 3Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.14Å
238	L	45.1	Very low	42.2	Very low	118 Å²	118	110.2 Å²	110.2	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-39.1	176.3	-162.8	72.6	0	0	0	111.6	P235 W236 L242	P235-L238 HydrophobicContact CB-CB 4.17Å; P235-L238 WeakPolarHBondContact O-CB 3.42Å; P235-L238 PolarHBondContact O-N 3.24Å; W236-L238 PolarHBondContact O-N 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.07Å
239	M	41.9	Very low	42.8	Very low	95 Å²	95	113 Å²	113	47%	0.468	58%	0.577	S	S	.	*	H	α-helix	trans	-70.4	-41.3	174.3	-70	176.4	54.3	0	0	112.5	P235 W236 N241 L242 T243 P253	P235-M239 PolarHBondContact O-N 3.47Å; P235-M239 VanDerWaalsContact O-N 3.15Å; W236-M239 HydrophobicContact CE3-CE 4.31Å; W236-M239 HydrophobicContact CE3-SD 4.15Å; W236-M239 HydrophobicContact CZ3-CE 3.89Å; W236-M239 HydrophobicContact CZ3-SD 4.04Å; W236-M239 PolarHBondContact O-N 3.2Å; W236-M239 VanDerWaalsContact O-N 3.12Å; M239-N241 VanDerWaalsContact C-N 3.26Å; M239-N241 PolarHBondContact O-N 2.7Å; M239-L242 PolarHBondContact O-N 3.47Å; M239-T243 PolarHBondContact O-N 2.79Å; M239-P253 HydrophobicContact CE-CG 4.49Å
240	L	45.4	Very low	43.2	Very low	22 Å²	22	110.8 Å²	110.8	12%	0.115	56%	0.564	C	S	.	*	H	α-helix	trans	-70.8	-19	176.7	-65	165.9	0	0	0	112.6	I224 W236 E237 T243 R250 E252	I224-L240 HydrophobicContact CD1-CD1 3.88Å; I224-L240 HydrophobicContact CD1-CD2 3.95Å; I224-L240 HydrophobicContact CD1-CG 4.32Å; I224-L240 HydrophobicContact CG1-CD1 4.46Å; W236-L240 HydrophobicContact CB-CD1 4.32Å; W236-L240 VanDerWaalsContact O-CB 3.29Å; W236-L240 WeakPolarHBondContact O-CB 3.43Å; W236-L240 WeakPolarHBondContact O-CD1 3.44Å; W236-L240 WeakPolarHBondContact O-CG 3.45Å; W236-L240 PolarHBondContact O-N 3.43Å; E237-L240 PolarHBondContact O-N 2.97Å; L240-T243 PolarHBondContact O-OG1 3.04Å; L240-T243 VanDerWaalsContact O-OG1 3.08Å; L240-R250 PolarHBondContact O-NE 2.91Å; L240-R250 PolarHBondContact O-NH2 3.3Å; L240-E252 HydrophobicContact CD2-CG 4.02Å
241	N	49.3	Very low	43.8	Very low	111 Å²	111	109.7 Å²	109.7	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-90.9	-28.2	171.8	-78	-29	0	0	0	113.5	E237 M239 T243	E237-N241 WeakPolarHBondContact O-CB 3.16Å; E237-N241 PolarHBondContact O-N 3Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.14Å; M239-N241 VanDerWaalsContact C-N 3.26Å; M239-N241 PolarHBondContact O-N 2.7Å; N241-T243 VanDerWaalsContact C-N 3.27Å; N241-T243 PolarHBondContact O-N 2.67Å
242	L	42.3	Very low	44.2	Very low	140 Å²	140	105.1 Å²	105.1	73%	0.733	54%	0.537	S	S	*	.	H	α-helix	trans	-66.1	-32.1	171.6	-78.7	166.1	0	0	0	111.8	L238 M239 R244	L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.07Å; M239-L242 PolarHBondContact O-N 3.47Å; L242-R244 PolarHBondContact O-N 3.34Å; L242-R244 VanDerWaalsContact O-N 3.14Å
243	T	44.7	Very low	44.4	Very low	59 Å²	59	96.8 Å²	96.8	36%	0.362	50%	0.501	S	S	.	.	S	Bend	trans	-72.9	98.5	163.5	55.9	0	0	0	0	109.5	M239 L240 N241 A245	M239-T243 PolarHBondContact O-N 2.79Å; L240-T243 PolarHBondContact O-OG1 3.04Å; L240-T243 VanDerWaalsContact O-OG1 3.08Å; N241-T243 VanDerWaalsContact C-N 3.27Å; N241-T243 PolarHBondContact O-N 2.67Å; T243-A245 PolarHBondContact O-N 3.16Å
244	R	44.4	Very low	44.5	Very low	250 Å²	250	88.6 Å²	88.6	94%	0.943	46%	0.464	S	S	*	.			trans	-65.5	19.2	175	-61.9	-177.4	-178.4	171.3	0.6	114.3	L242	L242-R244 PolarHBondContact O-N 3.34Å; L242-R244 VanDerWaalsContact O-N 3.14Å
245	A	48.6	Very low	44.8	Very low	28 Å²	28	84.2 Å²	84.2	23%	0.231	45%	0.449	C	S	.	.	S	Bend	trans	-84	138.1	173.5	0	0	0	0	0	109.1	T243 R249	T243-A245 PolarHBondContact O-N 3.16Å; A245-R249 HydrophobicContact CB-CB 3.83Å; A245-R249 WeakPolarHBondContact CB-O 3.19Å
246	P	46.8	Very low	44.6	Very low	83 Å²	83	81.6 Å²	81.6	54%	0.539	43%	0.431	S	S	.	.			trans	-57.3	156.7	168.1	27.2	-35	0	0	0	109.8	G248 R249	P246-G248 PolarHBondContact O-N 3.48Å; P246-R249 HydrophobicContact CG-CB 4.21Å; P246-R249 HydrophobicContact CG-CG 4.16Å; P246-R249 PolarHBondContact O-N 3.09Å
247	A	42.1	Very low	44.6	Very low	74 Å²	74	81 Å²	81	61%	0.612	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-49.4	-32.4	-175.1	0	0	0	0	0	114.1	R249	A247-R249 VanDerWaalsContact C-N 3.29Å; A247-R249 PolarHBondContact O-N 2.8Å
248	G	39.4	Very low	44.6	Very low	79 Å²	79	74.7 Å²	74.7	81%	0.814	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-80.2	22.2	172.9	0	0	0	0	0	117	P246	P246-G248 PolarHBondContact O-N 3.48Å
249	R	44.8	Very low	44.6	Very low	202 Å²	202	70.4 Å²	70.4	76%	0.762	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-144.5	22.4	178	-74.6	-170	-178.2	170	0.7	113.5	A245 P246 A247	A245-R249 HydrophobicContact CB-CB 3.83Å; A245-R249 WeakPolarHBondContact CB-O 3.19Å; P246-R249 HydrophobicContact CG-CB 4.21Å; P246-R249 HydrophobicContact CG-CG 4.16Å; P246-R249 PolarHBondContact O-N 3.09Å; A247-R249 VanDerWaalsContact C-N 3.29Å; A247-R249 PolarHBondContact O-N 2.8Å
250	R	48.1	Very low	45.1	Very low	68 Å²	68	68 Å²	68	26%	0.257	36%	0.364	S	S	.	.			trans	-91.4	143.9	-174.3	-65.5	179	169.3	165.2	-8.4	112.5	L240 E252	L240-R250 PolarHBondContact O-NE 2.91Å; L240-R250 PolarHBondContact O-NH2 3.3Å; R250-E252 HydrophobicContact CB-CG 4.28Å
251	C	46.9	Very low	45.2	Very low	59 Å²	59	71 Å²	71	40%	0.399	38%	0.375	S	S	.	.			trans	-97.5	85.5	171.7	-68.2	0	0	0	0	109.4	I303 C307	C251-I303 VanDerWaalsContact C-CD1 3.44Å; C251-I303 HydrophobicContact CB-CB 3.99Å; C251-I303 HydrophobicContact CB-CD1 4.29Å; C251-I303 HydrophobicContact CB-CG2 3.95Å; C251-C307 WeakPolarHBondContact CB-SG 3.32Å; C251-C307 WeakPolarHBondContact SG-CB 3.46Å; C251-C307 CovalentContact SG-SG 2.07Å; C251-C307 PolarHBondContact SG-SG 3.04Å
252	E	45.7	Very low	44.9	Very low	54 Å²	54	67.2 Å²	67.2	25%	0.252	36%	0.355	S	S	.	.			trans	-81.3	120.6	-177.1	-59	-169.1	168.7	0	0	115.4	A222 I224 L240 R250 I303	A222-E252 HydrophobicContact CB-CB 4.22Å; I224-E252 HydrophobicContact CD1-CB 4.23Å; I224-E252 HydrophobicContact CD1-CG 4.03Å; I224-E252 WeakPolarHBondContact CD1-OE2 3.48Å; L240-E252 HydrophobicContact CD2-CG 4.02Å; R250-E252 HydrophobicContact CB-CG 4.28Å; E252-I303 WeakPolarHBondContact O-CD1 3.48Å
253	P	44.6	Very low	45.2	Very low	30 Å²	30	64.3 Å²	64.3	20%	0.195	34%	0.34	C	S	.	.			trans	-69.1	146.7	-178.4	29.9	-35.8	0	0	0	112.7	A222 I223 W236 M239	A222-P253 WeakPolarHBondContact CA-O 3.32Å; I223-P253 HydrophobicContact CD1-CB 4.49Å; I223-P253 HydrophobicContact CD1-CG 4.41Å; I223-P253 WeakPolarHBondContact CG1-O 3.39Å; I223-P253 PolarHBondContact N-O 3.46Å; I223-P253 VanDerWaalsContact N-O 3.09Å; W236-P253 HydrophobicContact CZ3-CG 4.01Å; M239-P253 HydrophobicContact CE-CG 4.49Å
254	G	45.2	Very low	45.4	Very low	6 Å²	6	65.7 Å²	65.7	6%	0.062	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.5	178.1	0	0	0	0	0	115.6	S221 H300 C301	S221-G254 CarbonylContact O-C 3.58Å; S221-G254 WeakPolarHBondContact O-CA 3.08Å; G254-H300 CarbonylContact O-C 3.53Å; G254-C301 PolarHBondContact N-O 2.88Å; G254-C301 PolarHBondContact O-N 3.48Å
255	L	44.4	Very low	45.3	Very low	38 Å²	38	58.9 Å²	58.9	20%	0.199	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	-171.9	-171.1	145	0	0	0	113	E219 C220 S221 L257	E219-L255 CarbonylContact C-O 3.56Å; E219-L255 VanDerWaalsContact C-O 3.31Å; C220-L255 WeakPolarHBondContact CA-O 3.49Å; S221-L255 PolarHBondContact O-N 2.81Å; L255-L257 HydrophobicContact CD2-CD1 3.67Å; L255-L257 HydrophobicContact CD2-CG 4.08Å
256	Q	39.7	Very low	44.6	Very low	19 Å²	19	61.9 Å²	61.9	9%	0.089	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	99.2	-180	171.1	-172.1	12.9	0	0	110.6	T216 Q218 C220 I299	T216-Q256 HydrophobicContact CG2-CG 3.57Å; T216-Q256 PolarHBondContact OG1-NE2 3.01Å; Q218-Q256 CarbonylContact O-C 3.13Å; Q218-Q256 WeakPolarHBondContact O-CA 3.44Å; Q218-Q256 WeakPolarHBondContact O-CB 3.37Å; Q218-Q256 WeakPolarHBondContact O-CG 3.34Å; C220-Q256 HydrophobicContact CB-CB 4.35Å; C220-Q256 WeakPolarHBondContact SG-CB 3.45Å; Q256-I299 HydrophobicContact CB-CB 4.02Å; Q256-I299 HydrophobicContact CB-CG2 4.41Å; Q256-I299 HydrophobicContact CG-CB 4.25Å; Q256-I299 PolarHBondContact N-O 2.86Å; Q256-I299 WeakPolarHBondContact O-CA 3.37Å; Q256-I299 VanDerWaalsContact O-CB 3.3Å; Q256-I299 WeakPolarHBondContact O-CB 3.31Å; Q256-I299 PolarHBondContact O-N 2.86Å
257	L	42.7	Very low	43.8	Very low	16 Å²	16	65.1 Å²	65.1	8%	0.084	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	155.9	169.3	-77	112.4	0	0	0	111.1	T216 L217 Q218 L255 R297 K298	T216-L257 CarbonylContact C-O 3.31Å; T216-L257 WeakPolarHBondContact CA-O 3.36Å; L217-L257 HydrophobicContact CB-CB 3.77Å; L217-L257 HydrophobicContact CD2-CB 3.83Å; L217-L257 HydrophobicContact CD2-CD2 4.21Å; L217-L257 HydrophobicContact CD2-CG 4.43Å; L217-L257 HydrophobicContact CG-CB 4.25Å; L217-L257 PolarHBondContact N-O 2.9Å; Q218-L257 HydrophobicContact CB-CB 3.93Å; Q218-L257 HydrophobicContact CB-CD1 3.73Å; Q218-L257 HydrophobicContact CB-CG 4.44Å; Q218-L257 HydrophobicContact CG-CD1 4.46Å; Q218-L257 PolarHBondContact N-O 3Å; Q218-L257 PolarHBondContact O-N 2.84Å; Q218-L257 VanDerWaalsContact O-O 3.08Å; L255-L257 HydrophobicContact CD2-CD1 3.67Å; L255-L257 HydrophobicContact CD2-CG 4.08Å; L257-R297 CarbonylContact C-O 3.59Å; L257-R297 WeakPolarHBondContact CA-O 3.26Å; L257-K298 HydrophobicContact CD2-CD 4.27Å; L257-K298 HydrophobicContact CD2-CG 3.9Å; L257-K298 HydrophobicContact CG-CD 4.39Å; L257-K298 HydrophobicContact CG-CG 3.96Å
258	Q	44	Very low	43.2	Very low	17 Å²	17	66 Å²	66	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.1	176.3	-95.6	-170.3	17.9	0	0	111	W214 T215 T216 T296 R297 I299	W214-Q258 HydrophobicContact CB-CB 4.28Å; T215-Q258 CarbonylContact O-C 3.56Å; T215-Q258 WeakPolarHBondContact O-CA 3.48Å; T216-Q258 HydrophobicContact CG2-CG 4.49Å; T216-Q258 PolarHBondContact OG1-NE2 2.91Å; Q258-T296 CarbonylContact O-C 3.46Å; Q258-T296 WeakPolarHBondContact O-CA 3.25Å; Q258-R297 HydrophobicContact CB-CG 3.35Å; Q258-R297 PolarHBondContact N-O 2.82Å; Q258-R297 PolarHBondContact O-N 3.16Å; Q258-I299 HydrophobicContact CG-CD1 4.19Å; Q258-I299 VanDerWaalsContact NE2-CD1 3.3Å
259	I	46.5	Very low	42.7	Very low	29 Å²	29	70.1 Å²	70.1	15%	0.149	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	131.6	-177.4	-171.3	173.8	0	0	0	115.2	I139 W214 T215 L217 E295 T296	I139-I259 HydrophobicContact CB-CD1 3.64Å; I139-I259 HydrophobicContact CB-CG1 4.41Å; I139-I259 HydrophobicContact CD1-CD1 4.05Å; I139-I259 HydrophobicContact CG1-CD1 4.43Å; I139-I259 HydrophobicContact CG2-CD1 3.18Å; I139-I259 HydrophobicContact CG2-CG1 3.44Å; I139-I259 VanDerWaalsContact CG2-CG1 3.44Å; W214-I259 CarbonylContact C-O 3.59Å; T215-I259 PolarHBondContact N-O 2.93Å; T215-I259 WeakPolarHBondContact O-CG2 3.1Å; T215-I259 PolarHBondContact O-N 3.04Å; T215-I259 WeakPolarHBondContact OG1-CG2 3.31Å; T215-I259 PolarHBondContact OG1-O 2.72Å; L217-I259 HydrophobicContact CB-CG2 4.44Å; L217-I259 HydrophobicContact CD1-CB 4.06Å; L217-I259 HydrophobicContact CD1-CD1 4.12Å; L217-I259 HydrophobicContact CD1-CG2 4.17Å; I259-E295 CarbonylContact C-O 3.56Å; I259-E295 VanDerWaalsContact CA-O 3.25Å; I259-E295 WeakPolarHBondContact CA-O 3.5Å; I259-T296 HydrophobicContact CB-CG2 3.92Å; I259-T296 HydrophobicContact CD1-CG2 3.22Å; I259-T296 HydrophobicContact CG1-CG2 3.44Å; I259-T296 VanDerWaalsContact CG1-CG2 3.44Å
260	R	50.8	Low	41.9	Very low	45 Å²	45	66 Å²	66	17%	0.17	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-164.4	173.2	63.5	-174.4	172.8	134.5	13.3	111.9	G212 P213 W214 E295	G212-R260 WeakPolarHBondContact O-CB 3.18Å; G212-R260 WeakPolarHBondContact O-CD 3.17Å; G212-R260 WeakPolarHBondContact O-CG 3.2Å; P213-R260 VanDerWaalsContact O-CB 3.25Å; P213-R260 WeakPolarHBondContact O-CB 3.36Å; W214-R260 VanDerWaalsContact CD2-CD 3.5Å; W214-R260 HydrophobicContact CD2-CG 4.11Å; W214-R260 HydrophobicContact CE3-CB 4.43Å; W214-R260 VanDerWaalsContact CE3-CD 3.46Å; W214-R260 HydrophobicContact CE3-CG 3.67Å; W214-R260 VanDerWaalsContact CH2-NH2 3.34Å; W214-R260 VanDerWaalsContact CZ2-NE 3.27Å; W214-R260 HydrophobicContact CZ3-CG 3.98Å; R260-E295 HydrophobicContact CB-CB 4.1Å; R260-E295 VanDerWaalsContact CD-OE2 3.25Å; R260-E295 WeakPolarHBondContact CD-OE2 3.3Å; R260-E295 HydrophobicContact CG-CB 3.38Å; R260-E295 HydrophobicContact CG-CG 3.86Å; R260-E295 WeakPolarHBondContact CG-OE2 3.42Å; R260-E295 VanDerWaalsContact CZ-CD 3.42Å; R260-E295 IonicContact CZ-OE1 3.64Å; R260-E295 VanDerWaalsContact CZ-OE1 3.24Å; R260-E295 IonicContact CZ-OE2 3.17Å; R260-E295 VanDerWaalsContact N-C 3.33Å; R260-E295 PolarHBondContact N-O 3.37Å; R260-E295 IonicContact NE-OE1 3.72Å; R260-E295 PolarHBondContact NE-OE1 3.17Å; R260-E295 IonicContact NE-OE2 3.09Å; R260-E295 PolarHBondContact NE-OE2 2.96Å; R260-E295 IonicContact NH1-OE2 3.71Å; R260-E295 VanDerWaalsContact NH2-CD 3.27Å; R260-E295 IonicContact NH2-OE1 2.84Å; R260-E295 PolarHBondContact NH2-OE1 2.81Å; R260-E295 IonicContact NH2-OE2 3.2Å; R260-E295 PolarHBondContact NH2-OE2 3.46Å; R260-E295 WeakPolarHBondContact O-CA 3.42Å; R260-E295 WeakPolarHBondContact O-CB 3.46Å; R260-E295 PolarHBondContact O-N 3.38Å
261	K	48.6	Very low	41.1	Very low	83 Å²	83	69.6 Å²	69.6	36%	0.361	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151.1	178	-63.4	-168.3	171.1	-173.5	0	116.1	I139 W211 G212 T294	I139-K261 HydrophobicContact CG2-CD 4.45Å; I139-K261 HydrophobicContact CG2-CG 4.07Å; W211-K261 CarbonylContact C-O 3.56Å; W211-K261 WeakPolarHBondContact CA-O 3.4Å; W211-K261 VanDerWaalsContact CE3-C 3.41Å; G212-K261 PolarHBondContact N-O 3.36Å; K261-T294 HydrophobicContact CB-CG2 3.9Å; K261-T294 HydrophobicContact CD-CG2 3.53Å; K261-T294 HydrophobicContact CG-CG2 3.5Å
262	L	42.3	Very low	40.2	Very low	32 Å²	32	74.7 Å²	74.7	17%	0.168	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-89.3	146	178	-174	91.3	0	0	0	113.3	I210 W211 I293	I210-L262 HydrophobicContact CG2-CD1 3.25Å; I210-L262 HydrophobicContact CG2-CG 3.94Å; I210-L262 CarbonylContact O-C 3.4Å; I210-L262 VanDerWaalsContact O-C 3.32Å; I210-L262 VanDerWaalsContact O-CA 3.31Å; I210-L262 WeakPolarHBondContact O-CA 2.99Å; W211-L262 HydrophobicContact CD2-CB 3.92Å; W211-L262 HydrophobicContact CD2-CD1 3.61Å; W211-L262 HydrophobicContact CD2-CG 4.38Å; W211-L262 VanDerWaalsContact CE3-CA 3.46Å; W211-L262 HydrophobicContact CE3-CB 3.55Å; W211-L262 HydrophobicContact CE3-CD1 4.14Å; W211-L262 HydrophobicContact CE3-CG 4.48Å; W211-L262 HydrophobicContact CG-CD1 4.19Å; W211-L262 HydrophobicContact CH2-CB 3.95Å; W211-L262 HydrophobicContact CH2-CD1 4.07Å; W211-L262 HydrophobicContact CZ2-CB 4.21Å; W211-L262 HydrophobicContact CZ2-CD1 3.44Å; W211-L262 VanDerWaalsContact CZ2-CD1 3.44Å; W211-L262 HydrophobicContact CZ2-CG 4.36Å; W211-L262 HydrophobicContact CZ3-CB 3.58Å; W211-L262 HydrophobicContact CZ3-CD1 4.35Å; W211-L262 VanDerWaalsContact NE1-CD1 3.32Å; L262-I293 HydrophobicContact CB-CB 3.68Å; L262-I293 HydrophobicContact CB-CG2 3.61Å; L262-I293 WeakPolarHBondContact CB-O 2.9Å; L262-I293 HydrophobicContact CD2-CB 3.56Å; L262-I293 HydrophobicContact CD2-CD1 3.71Å; L262-I293 HydrophobicContact CD2-CG1 4.19Å; L262-I293 HydrophobicContact CD2-CG2 3.88Å; L262-I293 HydrophobicContact CG-CB 4.2Å; L262-I293 HydrophobicContact CG-CG2 4.21Å; L262-I293 PolarHBondContact N-O 2.01Å
263	L	49.7	Very low	39.6	Very low	79 Å²	79	80.2 Å²	80.2	41%	0.414	42%	0.417	S	S	.	.			trans	-131.6	113.4	168.7	-57.9	170.9	0	0	0	109	I210	I210-L263 WeakPolarHBondContact CG2-O 3.03Å; I210-L263 WeakPolarHBondContact O-CB 3.47Å; I210-L263 PolarHBondContact O-N 2.92Å
264	S	48.9	Very low	39	Very low	89 Å²	89	85.8 Å²	85.8	62%	0.622	45%	0.445	S	S	*	.			trans	-81.1	126.2	-173.3	54.5	0	0	0	0	114
265	E	41.5	Very low	38.3	Very low	107 Å²	107	90.1 Å²	90.1	50%	0.5	47%	0.472	S	S	.	.			trans	-59.2	143.8	165	-58.4	160.2	129.5	0	0	111.2	I210	I210-E265 HydrophobicContact CD1-CG 3.67Å; I210-E265 WeakPolarHBondContact CD1-OE2 3.46Å; I210-E265 HydrophobicContact CG1-CG 4.01Å
266	S	34.1	Very low	38	Very low	91 Å²	91	97.1 Å²	97.1	64%	0.636	50%	0.504	S	S	*	.			trans	-143	122.4	168.2	70.3	0	0	0	0	112.7
267	N	30.9	Very low	37.7	Very low	151 Å²	151	104.1 Å²	104.1	81%	0.807	53%	0.534	S	S	*	.			trans	70.8	153.3	162.7	-41.9	-37	0	0	0	114
268	S	29.6	Very low	37.2	Very low	91 Å²	91	110.6 Å²	110.6	64%	0.636	56%	0.564	S	S	*	*			cis	-170.1	128.2	-14.2	39.4	0	0	0	0	107.7
269	I	28.4	Very low	36.6	Very low	166 Å²	166	119 Å²	119	85%	0.851	60%	0.603	S	S	*	*				63.7	100.7	110.4	-52.1	164.6	0	0	0	115.6
270	K	28.5	Very low	36.1	Very low	116 Å²	116	128 Å²	128	50%	0.504	64%	0.642	S	S	.	*			trans	-141.5	134.5	146.3	-87.9	-167	-162.1	153.2	0	103.4	E196 D197	E196-K270 PolarHBondContact O-NZ 3.08Å; D197-K270 HydrophobicContact CB-CD 4.19Å; D197-K270 VanDerWaalsContact OD2-CD 3.24Å; D197-K270 WeakPolarHBondContact OD2-CD 3.1Å; D197-K270 WeakPolarHBondContact OD2-CE 3.32Å; D197-K270 IonicContact OD2-NZ 2.66Å; D197-K270 PolarHBondContact OD2-NZ 2.92Å
271	E	29.4	Very low	35.2	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.673	67%	0.674	S	S	*	*			cis	-157	170.9	20.3	-99.7	157.8	-172.1	0	0	111.5
272	H	29.9	Very low	34.4	Very low	166 Å²	166	134.2 Å²	134.2	77%	0.769	69%	0.686	S	S	*	*			trans	25.5	137.6	144.1	-63.8	-63.1	0	0	0	121.1
273	E	32.4	Very low	33.7	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	72%	0.72	S	S	*	*			cis	-151.7	135.9	21.1	-106.7	158.7	175.5	0	0	109.2
274	N	31	Very low	32.7	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	74%	0.735	S	S	*	*				76.2	153.1	90.8	-130.1	12.6	0	0	0	114.9
275	P	32.1	Very low	31.7	Very low	97 Å²	97	139.7 Å²	139.7	63%	0.63	74%	0.736	S	S	*	*				-130.1	160.1	-97.6	40.6	-26.4	0	0	0	115.1
276	Q	36.5	Very low	31	Very low	185 Å²	185	142.4 Å²	142.4	86%	0.864	75%	0.752	S	S	*	*			trans	179.6	149.4	134.1	-102.6	168.9	33.9	0	0	115.1
277	K	34.4	Very low	30.7	Very low	167 Å²	167	142.2 Å²	142.2	73%	0.726	76%	0.756	S	S	*	*			trans	83.6	103	162.3	-71.4	-171.7	164.7	-174.1	0	122.1
278	E	31.8	Very low	30.6	Very low	152 Å²	152	142.6 Å²	142.6	71%	0.71	76%	0.756	S	S	*	*				65.3	91.2	125.7	-64.5	168.3	122.3	0	0	117.5
279	Q	31.6	Very low	30.5	Very low	192 Å²	192	142.2 Å²	142.2	90%	0.897	76%	0.759	S	S	*	*				52.9	88.2	82.5	-68.6	-173.2	-23.6	0	0	116
280	K	35.6	Very low	30.8	Very low	220 Å²	220	139 Å²	139	96%	0.957	75%	0.747	S	S	*	*			trans	-151.1	144.3	131.1	-118.9	167.7	-177	173.6	0	112
281	L	32.3	Very low	31.2	Very low	161 Å²	161	138.6 Å²	138.6	84%	0.843	75%	0.754	S	S	*	*			trans	-112.1	164.7	-160.7	-170.8	76.7	0	0	0	110
282	P	31.2	Very low	31.7	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	74%	0.744	S	S	*	*			cis	-113.7	179	-37.7	30.2	-12.6	0	0	0	112.1
283	P	27.1	Very low	32.3	Very low	136 Å²	136	129.9 Å²	129.9	88%	0.883	72%	0.721	S	S	*	*				-131.5	133.4	116	35.8	-28.6	0	0	0	112.4
284	A	29.2	Very low	32.8	Very low	86 Å²	86	122.1 Å²	122.1	71%	0.711	69%	0.685	S	S	*	*			trans	-147.1	138	177.8	0	0	0	0	0	108.4
285	S	28.8	Very low	33.2	Very low	93 Å²	93	115.1 Å²	115.1	65%	0.65	65%	0.647	S	S	*	*			cis	-174.2	-179.5	-0.1	44.6	0	0	0	0	109.6
286	I	26.8	Very low	33.6	Very low	163 Å²	163	111.1 Å²	111.1	84%	0.836	62%	0.621	S	S	*	*			trans	79.4	131.6	162.4	-50.8	144.6	0	0	0	113.5
287	A	28	Very low	33.7	Very low	87 Å²	87	104.2 Å²	104.2	72%	0.719	59%	0.587	S	S	*	*			cis	-135.4	145	-5.4	0	0	0	0	0	110.8	A289	A287-A289 PolarHBondContact O-N 3.11Å
288	I	27.4	Very low	34.1	Very low	159 Å²	159	100.5 Å²	100.5	82%	0.815	57%	0.571	S	S	*	*			trans	-83.2	108	165.4	-64.2	169.8	0	0	0	107.5	T290	I288-T290 HydrophobicContact CG2-CG2 4.42Å; I288-T290 PolarHBondContact O-N 2.92Å
289	A	28.2	Very low	34.5	Very low	84 Å²	84	95.2 Å²	95.2	69%	0.694	55%	0.547	S	S	*	.			trans	-76.2	112.1	165.9	0	0	0	0	0	108.8	A287 T291	A287-A289 PolarHBondContact O-N 3.11Å; A289-T291 PolarHBondContact O-N 2.82Å
290	T	34.5	Very low	35	Very low	97 Å²	97	92.3 Å²	92.3	60%	0.595	53%	0.533	S	S	*	.			trans	-75.6	87.3	178.9	37	0	0	0	0	111	I288 T292	I288-T290 HydrophobicContact CG2-CG2 4.42Å; I288-T290 PolarHBondContact O-N 2.92Å; T290-T292 PolarHBondContact O-N 3.14Å
291	T	36.1	Very low	35.4	Very low	108 Å²	108	84.1 Å²	84.1	66%	0.663	50%	0.503	S	S	*	.			trans	-64.1	124.8	172.6	44.3	0	0	0	0	110.9	A289 I293	A289-T291 PolarHBondContact O-N 2.82Å; T291-I293 PolarHBondContact O-N 2.78Å
292	T	41.2	Very low	36.1	Very low	75 Å²	75	85.9 Å²	85.9	46%	0.46	50%	0.499	S	S	.	.			trans	-76.4	95.3	168.9	43.6	0	0	0	0	110.3	T290	T290-T292 PolarHBondContact O-N 3.14Å
293	I	41.5	Very low	36.8	Very low	53 Å²	53	82.5 Å²	82.5	27%	0.272	48%	0.475	S	S	.	.			trans	-63	155	172.3	-70.9	160.6	0	0	0	110	W211 L262 T291	W211-I293 HydrophobicContact CH2-CG2 3.32Å; W211-I293 HydrophobicContact CZ2-CG2 4.18Å; W211-I293 HydrophobicContact CZ3-CG2 3.71Å; L262-I293 HydrophobicContact CB-CB 3.68Å; L262-I293 HydrophobicContact CB-CG2 3.61Å; L262-I293 WeakPolarHBondContact CB-O 2.9Å; L262-I293 HydrophobicContact CD2-CB 3.56Å; L262-I293 HydrophobicContact CD2-CD1 3.71Å; L262-I293 HydrophobicContact CD2-CG1 4.19Å; L262-I293 HydrophobicContact CD2-CG2 3.88Å; L262-I293 HydrophobicContact CG-CB 4.2Å; L262-I293 HydrophobicContact CG-CG2 4.21Å; L262-I293 PolarHBondContact N-O 2.01Å; T291-I293 PolarHBondContact O-N 2.78Å
294	T	44	Very low	37.5	Very low	6 Å²	6	81 Å²	81	4%	0.037	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	172	-158.5	33.3	0	0	0	0	112.7	L138 I139 Q140 K261	L138-T294 WeakPolarHBondContact O-CG2 2.97Å; L138-T294 PolarHBondContact O-OG1 3.14Å; I139-T294 WeakPolarHBondContact CA-OG1 3.43Å; I139-T294 HydrophobicContact CB-CG2 4.47Å; I139-T294 HydrophobicContact CG2-CG2 4.03Å; Q140-T294 VanDerWaalsContact C-C 3.49Å; Q140-T294 CarbonylContact C-O 3.55Å; Q140-T294 WeakPolarHBondContact CA-O 3.16Å; Q140-T294 WeakPolarHBondContact CB-O 3.31Å; Q140-T294 WeakPolarHBondContact CG-O 3.12Å; Q140-T294 VanDerWaalsContact N-CB 3.35Å; Q140-T294 PolarHBondContact N-OG1 3.49Å; Q140-T294 CarbonylContact O-C 3.53Å; K261-T294 HydrophobicContact CB-CG2 3.9Å; K261-T294 HydrophobicContact CD-CG2 3.53Å; K261-T294 HydrophobicContact CG-CG2 3.5Å
295	E	38.4	Very low	37.7	Very low	0 Å²	0	86 Å²	86	0%	0	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	67.2	-160.4	-135.1	-176.2	166	0	0	130.7	Q140 S141 D142 W211 I259 R260 R297	Q140-E295 CarbonylContact O-C 3.55Å; Q140-E295 WeakPolarHBondContact O-CA 3.42Å; Q140-E295 PolarHBondContact O-N 2.86Å; S141-E295 VanDerWaalsContact CA-C 3.45Å; S141-E295 VanDerWaalsContact CA-CA 3.46Å; S141-E295 VanDerWaalsContact OG-C 3.27Å; S141-E295 PolarHBondContact OG-O 3.34Å; D142-E295 VanDerWaalsContact C-OE1 3.27Å; D142-E295 VanDerWaalsContact CA-OE1 3.3Å; D142-E295 WeakPolarHBondContact CA-OE1 2.97Å; D142-E295 HydrophobicContact CB-CG 4.47Å; D142-E295 WeakPolarHBondContact CB-OE1 3.09Å; D142-E295 PolarHBondContact N-OE1 3.18Å; D142-E295 VanDerWaalsContact N-OE1 3.16Å; W211-E295 HydrophobicContact CE3-CB 3.9Å; W211-E295 VanDerWaalsContact CE3-CD 3.42Å; W211-E295 HydrophobicContact CE3-CG 3.96Å; W211-E295 HydrophobicContact CH2-CG 4.21Å; W211-E295 HydrophobicContact CZ3-CB 3.68Å; W211-E295 VanDerWaalsContact CZ3-CD 3.4Å; W211-E295 HydrophobicContact CZ3-CG 3.58Å; W211-E295 VanDerWaalsContact CZ3-OE2 3.25Å; W211-E295 WeakPolarHBondContact CZ3-OE2 3.1Å; I259-E295 CarbonylContact C-O 3.56Å; I259-E295 VanDerWaalsContact CA-O 3.25Å; I259-E295 WeakPolarHBondContact CA-O 3.5Å; R260-E295 HydrophobicContact CB-CB 4.1Å; R260-E295 VanDerWaalsContact CD-OE2 3.25Å; R260-E295 WeakPolarHBondContact CD-OE2 3.3Å; R260-E295 HydrophobicContact CG-CB 3.38Å; R260-E295 HydrophobicContact CG-CG 3.86Å; R260-E295 WeakPolarHBondContact CG-OE2 3.42Å; R260-E295 VanDerWaalsContact CZ-CD 3.42Å; R260-E295 IonicContact CZ-OE1 3.64Å; R260-E295 VanDerWaalsContact CZ-OE1 3.24Å; R260-E295 IonicContact CZ-OE2 3.17Å; R260-E295 VanDerWaalsContact N-C 3.33Å; R260-E295 PolarHBondContact N-O 3.37Å; R260-E295 IonicContact NE-OE1 3.72Å; R260-E295 PolarHBondContact NE-OE1 3.17Å; R260-E295 IonicContact NE-OE2 3.09Å; R260-E295 PolarHBondContact NE-OE2 2.96Å; R260-E295 IonicContact NH1-OE2 3.71Å; R260-E295 VanDerWaalsContact NH2-CD 3.27Å; R260-E295 IonicContact NH2-OE1 2.84Å; R260-E295 PolarHBondContact NH2-OE1 2.81Å; R260-E295 IonicContact NH2-OE2 3.2Å; R260-E295 PolarHBondContact NH2-OE2 3.46Å; R260-E295 WeakPolarHBondContact O-CA 3.42Å; R260-E295 WeakPolarHBondContact O-CB 3.46Å; R260-E295 PolarHBondContact O-N 3.38Å; E295-R297 PolarHBondContact O-N 2.89Å
296	T	40.9	Very low	38.1	Very low	12 Å²	12	84 Å²	84	7%	0.074	46%	0.457	C	S	.	.			trans	-67.3	73.1	-179.5	46	0	0	0	0	122.1	Q140 S141 L217 Q258 I259	Q140-T296 PolarHBondContact O-N 3.15Å; Q140-T296 PolarHBondContact O-OG1 2.78Å; Q140-T296 VanDerWaalsContact O-OG1 3.07Å; S141-T296 VanDerWaalsContact CA-N 3.26Å; S141-T296 WeakPolarHBondContact CB-O 3.08Å; S141-T296 WeakPolarHBondContact CB-OG1 3.15Å; S141-T296 PolarHBondContact N-OG1 3.07Å; S141-T296 WeakPolarHBondContact OG-CA 3.45Å; S141-T296 PolarHBondContact OG-N 2.02Å; S141-T296 VanDerWaalsContact OG-N 3.12Å; S141-T296 PolarHBondContact OG-O 3.26Å; L217-T296 HydrophobicContact CD1-CG2 3.77Å; Q258-T296 CarbonylContact O-C 3.46Å; Q258-T296 WeakPolarHBondContact O-CA 3.25Å; I259-T296 HydrophobicContact CB-CG2 3.92Å; I259-T296 HydrophobicContact CD1-CG2 3.22Å; I259-T296 HydrophobicContact CG1-CG2 3.44Å; I259-T296 VanDerWaalsContact CG1-CG2 3.44Å
297	R	39.5	Very low	38.5	Very low	41 Å²	41	78.3 Å²	78.3	16%	0.155	43%	0.431	C	S	.	.			trans	-63.7	167.6	177.7	75.9	173.9	165.6	-175.5	-0.5	115.6	S141 V143 W214 L257 Q258 E295 I299	S141-R297 PolarHBondContact OG-N 2.78Å; V143-R297 HydrophobicContact CB-CB 4.08Å; V143-R297 HydrophobicContact CG1-CB 3.7Å; V143-R297 HydrophobicContact CG1-CG 4.44Å; V143-R297 HydrophobicContact CG2-CB 3.36Å; W214-R297 VanDerWaalsContact CD2-CD 3.41Å; W214-R297 HydrophobicContact CD2-CG 3.93Å; W214-R297 VanDerWaalsContact CD2-CZ 3.47Å; W214-R297 VanDerWaalsContact CE2-CZ 3.5Å; W214-R297 HydrophobicContact CE3-CB 3.62Å; W214-R297 HydrophobicContact CE3-CG 3.35Å; W214-R297 VanDerWaalsContact CG-NE 3.28Å; W214-R297 HydrophobicContact CH2-CB 4.21Å; W214-R297 HydrophobicContact CH2-CG 4.47Å; W214-R297 HydrophobicContact CZ3-CB 3.42Å; W214-R297 VanDerWaalsContact CZ3-CB 3.42Å; W214-R297 HydrophobicContact CZ3-CG 3.7Å; L257-R297 CarbonylContact C-O 3.59Å; L257-R297 WeakPolarHBondContact CA-O 3.26Å; Q258-R297 HydrophobicContact CB-CG 3.35Å; Q258-R297 PolarHBondContact N-O 2.82Å; Q258-R297 PolarHBondContact O-N 3.16Å; E295-R297 PolarHBondContact O-N 2.89Å; R297-I299 HydrophobicContact CG-CG1 4.26Å
298	K	42.5	Very low	39	Very low	89 Å²	89	80.9 Å²	80.9	39%	0.387	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.8	158	-51	-169.5	179.8	176.2	0	108.1	T102 L257	T102-K298 WeakPolarHBondContact OG1-CE 3.4Å; L257-K298 HydrophobicContact CD2-CD 4.27Å; L257-K298 HydrophobicContact CD2-CG 3.9Å; L257-K298 HydrophobicContact CG-CD 4.39Å; L257-K298 HydrophobicContact CG-CG 3.96Å
299	I	39.8	Very low	39.9	Very low	40 Å²	40	80.7 Å²	80.7	21%	0.205	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.2	168.5	-62.3	-171	0	0	0	106.6	Q256 Q258 R297	Q256-I299 HydrophobicContact CB-CB 4.02Å; Q256-I299 HydrophobicContact CB-CG2 4.41Å; Q256-I299 HydrophobicContact CG-CB 4.25Å; Q256-I299 PolarHBondContact N-O 2.86Å; Q256-I299 WeakPolarHBondContact O-CA 3.37Å; Q256-I299 VanDerWaalsContact O-CB 3.3Å; Q256-I299 WeakPolarHBondContact O-CB 3.31Å; Q256-I299 PolarHBondContact O-N 2.86Å; Q258-I299 HydrophobicContact CG-CD1 4.19Å; Q258-I299 VanDerWaalsContact NE2-CD1 3.3Å; R297-I299 HydrophobicContact CG-CG1 4.26Å
300	H	42.3	Very low	40.8	Very low	131 Å²	131	80 Å²	80	61%	0.606	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	127	167.2	-57	146.9	0	0	0	107.9	G254	G254-H300 CarbonylContact O-C 3.53Å
301	C	43.8	Very low	41.7	Very low	49 Å²	49	82.3 Å²	82.3	33%	0.331	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.7	161.1	-61.9	0	0	0	0	108.5	C220 G254	C220-C301 HydrophobicContact CB-CB 3.53Å; C220-C301 WeakPolarHBondContact CB-SG 3.26Å; C220-C301 WeakPolarHBondContact SG-CB 3.5Å; C220-C301 PolarHBondContact SG-N 3.36Å; C220-C301 VanDerWaalsContact SG-N 3.38Å; C220-C301 CovalentContact SG-SG 2.01Å; C220-C301 PolarHBondContact SG-SG 2.84Å; G254-C301 PolarHBondContact N-O 2.88Å; G254-C301 PolarHBondContact O-N 3.48Å
302	W	47.6	Very low	42.5	Very low	197 Å²	197	81.8 Å²	81.8	75%	0.746	43%	0.43	S	S	*	.			trans	-97.6	143.7	157.9	-83.9	-12.1	0	0	0	108.9	N304	W302-N304 HydrophobicContact CB-CB 3.92Å; W302-N304 HydrophobicContact CG-CB 4.46Å; W302-N304 PolarHBondContact O-N 2.8Å; W302-N304 VanDerWaalsContact O-N 3.14Å
303	I	45.6	Very low	43.5	Very low	26 Å²	26	85 Å²	85	13%	0.133	44%	0.438	C	S	.	.	S	Bend	trans	-76.1	8.8	169.1	-63.8	153.7	0	0	0	110.7	C251 E252 E305 A306 C307 Y340	C251-I303 VanDerWaalsContact C-CD1 3.44Å; C251-I303 HydrophobicContact CB-CB 3.99Å; C251-I303 HydrophobicContact CB-CD1 4.29Å; C251-I303 HydrophobicContact CB-CG2 3.95Å; E252-I303 WeakPolarHBondContact O-CD1 3.48Å; I303-E305 PolarHBondContact O-N 2.87Å; I303-A306 PolarHBondContact O-N 2.86Å; I303-C307 PolarHBondContact O-N 2.98Å; I303-C307 PolarHBondContact O-SG 2.84Å; I303-Y340 HydrophobicContact CD1-CD1 4.23Å; I303-Y340 HydrophobicContact CD1-CD2 4.46Å; I303-Y340 HydrophobicContact CD1-CE1 3.52Å; I303-Y340 HydrophobicContact CD1-CE2 3.8Å; I303-Y340 WeakPolarHBondContact CD1-OH 3.29Å; I303-Y340 HydrophobicContact CG1-CD1 4.23Å; I303-Y340 HydrophobicContact CG1-CD2 3.83Å; I303-Y340 HydrophobicContact CG1-CE1 3.92Å; I303-Y340 HydrophobicContact CG1-CE2 3.5Å; I303-Y340 HydrophobicContact CG1-CG 4.21Å; I303-Y340 HydrophobicContact CG2-CD1 3.96Å; I303-Y340 HydrophobicContact CG2-CD2 4.4Å; I303-Y340 HydrophobicContact CG2-CE1 4.33Å; I303-Y340 HydrophobicContact CG2-CG 4.02Å
304	N	41.9	Very low	44.4	Very low	105 Å²	105	82.9 Å²	82.9	56%	0.561	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	17.2	-157.2	-135.2	9	0	0	0	114.6	W302 C307	W302-N304 HydrophobicContact CB-CB 3.92Å; W302-N304 HydrophobicContact CG-CB 4.46Å; W302-N304 PolarHBondContact O-N 2.8Å; W302-N304 VanDerWaalsContact O-N 3.14Å; N304-C307 VanDerWaalsContact OD1-CB 3.29Å; N304-C307 WeakPolarHBondContact OD1-CB 3.4Å; N304-C307 PolarHBondContact OD1-SG 3.01Å
305	E	33.6	Very low	45.4	Very low	191 Å²	191	84.3 Å²	84.3	89%	0.893	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-15.3	154	-66.9	-164.9	171.3	0	0	111.5	I303	I303-E305 PolarHBondContact O-N 2.87Å
306	A	36.2	Very low	46.8	Very low	50 Å²	50	86 Å²	86	41%	0.413	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-5.1	-175.8	0	0	0	0	0	115.8	I303 H308 E315	I303-A306 PolarHBondContact O-N 2.86Å; A306-H308 PolarHBondContact O-N 2.77Å; A306-E315 WeakPolarHBondContact CB-OE1 2.94Å
307	C	35.7	Very low	48	Very low	44 Å²	44	85.5 Å²	85.5	30%	0.297	44%	0.441	S	S	.	.			trans	-72	17.6	168.3	-41	0	0	0	0	112.8	C251 I303 N304 T309	C251-C307 WeakPolarHBondContact CB-SG 3.32Å; C251-C307 WeakPolarHBondContact SG-CB 3.46Å; C251-C307 CovalentContact SG-SG 2.07Å; C251-C307 PolarHBondContact SG-SG 3.04Å; I303-C307 PolarHBondContact O-N 2.98Å; I303-C307 PolarHBondContact O-SG 2.84Å; N304-C307 VanDerWaalsContact OD1-CB 3.29Å; N304-C307 WeakPolarHBondContact OD1-CB 3.4Å; N304-C307 PolarHBondContact OD1-SG 3.01Å; C307-T309 PolarHBondContact O-N 2.79Å
308	H	39.5	Very low	49.1	Very low	142 Å²	142	85.9 Å²	85.9	66%	0.657	45%	0.45	S	S	*	.	S	Bend	trans	-68	124.5	157.2	-90.5	-75.2	0	0	0	109.2	A306 S310	A306-H308 PolarHBondContact O-N 2.77Å; H308-S310 WeakPolarHBondContact CB-OG 3.28Å; H308-S310 PolarHBondContact O-N 3.48Å
309	T	45.7	Very low	50.2	Low	154 Å²	154	83 Å²	83	95%	0.945	44%	0.44	S	S	*	.	S	Bend	trans	-72.2	56.9	165.5	53.1	0	0	0	0	111	C307	C307-T309 PolarHBondContact O-N 2.79Å
310	S	45.8	Very low	51.4	Low	71 Å²	71	82.6 Å²	82.6	50%	0.497	44%	0.44	S	S	.	.	S	Bend	trans	-136.9	118	175.5	63.3	0	0	0	0	108.7	H308 V312	H308-S310 WeakPolarHBondContact CB-OG 3.28Å; H308-S310 PolarHBondContact O-N 3.48Å; S310-V312 PolarHBondContact O-N 3.07Å
311	D	53.5	Low	52.6	Low	145 Å²	145	81.6 Å²	81.6	78%	0.775	44%	0.435	S	S	*	.			trans	32.2	82.2	163.3	-53.6	-27.9	0	0	0	115.8	K313	D311-K313 WeakPolarHBondContact O-CG 3.5Å; D311-K313 PolarHBondContact O-N 2.97Å
312	V	53.9	Low	54	Low	96 Å²	96	81.3 Å²	81.3	58%	0.582	43%	0.428	S	S	*	.			trans	-47.9	114.2	-179.3	-168.2	0	0	0	0	110.6	S310 R342	S310-V312 PolarHBondContact O-N 3.07Å; V312-R342 HydrophobicContact CB-CG 4.34Å; V312-R342 HydrophobicContact CG1-CG 3.92Å; V312-R342 WeakPolarHBondContact O-CD 3.33Å; V312-R342 PolarHBondContact O-NE 2.73Å
313	K	61	Low	55	Low	143 Å²	143	76 Å²	76	62%	0.622	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-88.6	163	178.6	-62.2	-178.4	-177.9	172.2	0	111	D311 R342	D311-K313 WeakPolarHBondContact O-CG 3.5Å; D311-K313 PolarHBondContact O-N 2.97Å; K313-R342 PolarHBondContact O-N 3.07Å
314	V	61	Low	56.1	Low	8 Å²	8	76.2 Å²	76.2	5%	0.048	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-68.4	131.1	160.2	174	0	0	0	0	107.5	R342 P344 S401 D403 Y409	V314-R342 HydrophobicContact CG2-CB 3.76Å; V314-P344 HydrophobicContact CG1-CB 3.88Å; V314-P344 HydrophobicContact CG1-CG 4.49Å; V314-S401 WeakPolarHBondContact CG1-OG 3.43Å; V314-D403 HydrophobicContact CB-CB 4.35Å; V314-D403 HydrophobicContact CG2-CB 3.54Å; V314-Y409 HydrophobicContact CB-CD2 3.98Å; V314-Y409 HydrophobicContact CB-CE2 4.11Å; V314-Y409 HydrophobicContact CG1-CD2 4.29Å
315	E	66.3	Low	57.2	Low	36 Å²	36	73.6 Å²	73.6	17%	0.168	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-92	143.4	175	-79.4	179.4	-157.2	0	0	110.4	A306 T338 Y340 G341 S401	A306-E315 WeakPolarHBondContact CB-OE1 2.94Å; E315-T338 HydrophobicContact CB-CG2 4.25Å; E315-T338 WeakPolarHBondContact CB-OG1 3.29Å; E315-T338 VanDerWaalsContact OE2-CB 3.32Å; E315-T338 WeakPolarHBondContact OE2-CB 3.49Å; E315-T338 PolarHBondContact OE2-OG1 3.38Å; E315-Y340 WeakPolarHBondContact OE1-CB 3.35Å; E315-Y340 VanDerWaalsContact OE2-C 3.32Å; E315-Y340 WeakPolarHBondContact OE2-CB 3.32Å; E315-G341 PolarHBondContact OE1-N 3.4Å; E315-G341 VanDerWaalsContact OE1-N 3.17Å; E315-S401 PolarHBondContact O-OG 3.17Å
316	P	66.2	Low	58.5	Low	37 Å²	37	69.1 Å²	69.1	24%	0.24	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-79.3	164.7	175.4	37.7	-38.5	0	0	0	111.2	S318 T338 S401 Y409	P316-S318 PolarHBondContact O-N 3.35Å; P316-T338 WeakPolarHBondContact O-CG2 3.49Å; P316-S401 WeakPolarHBondContact CA-OG 3.25Å; P316-Y409 WeakPolarHBondContact CB-O 3.49Å
317	P	67.4	Low	59.8	Low	1 Å²	1	76.4 Å²	76.4	1%	0.006	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-54.4	137.8	178	-24.9	33.8	0	0	0	113.2	W335 R336 F347 I399 S411 C414	P317-W335 HydrophobicContact CB-CB 4.29Å; P317-W335 HydrophobicContact CB-CG 4.32Å; P317-W335 HydrophobicContact CG-CG 4.43Å; P317-R336 WeakPolarHBondContact CA-O 3.45Å; P317-R336 WeakPolarHBondContact CB-O 3.43Å; P317-F347 HydrophobicContact CG-CD1 4Å; P317-F347 HydrophobicContact CG-CE1 3.74Å; P317-I399 HydrophobicContact CG-CB 4.5Å; P317-I399 HydrophobicContact CG-CG2 3.84Å; P317-S411 WeakPolarHBondContact O-CB 3.49Å; P317-S411 PolarHBondContact O-OG 2.69Å; P317-C414 PolarHBondContact O-SG 2.03Å
318	S	62.8	Low	61.6	Low	48 Å²	48	75.8 Å²	75.8	34%	0.336	39%	0.394	S	S	.	.	S	Bend	trans	-78.4	-40.4	-176.7	48.4	0	0	0	0	112.6	P316 R336 S413	P316-S318 PolarHBondContact O-N 3.35Å; S318-R336 PolarHBondContact N-O 3.2Å; S318-S413 PolarHBondContact O-OG 3.05Å
319	T	64.2	Low	63.7	Low	30 Å²	30	72.2 Å²	72.2	18%	0.184	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.9	-172.5	56.1	0	0	0	0	111	W335 R336	T319-W335 VanDerWaalsContact O-CA 3.25Å; T319-W335 WeakPolarHBondContact O-CA 3.48Å; T319-W335 WeakPolarHBondContact O-CB 3.37Å; T319-R336 PolarHBondContact O-N 3.28Å
320	C	64.6	Low	65.5	Low	30 Å²	30	65.2 Å²	65.2	20%	0.203	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.2	-179.7	-63.2	0	0	0	0	111.8	F322 K334 W335 I399 C414	C320-F322 HydrophobicContact CB-CE2 3.78Å; C320-F322 HydrophobicContact CB-CZ 3.96Å; C320-K334 CarbonylContact C-O 3.57Å; C320-K334 VanDerWaalsContact CA-O 3.29Å; C320-K334 WeakPolarHBondContact CA-O 2.97Å; C320-W335 HydrophobicContact CB-CB 4.2Å; C320-W335 WeakPolarHBondContact SG-CB 3.45Å; C320-I399 HydrophobicContact CB-CD1 3.95Å; C320-I399 WeakPolarHBondContact SG-CD1 3.2Å; C320-C414 HydrophobicContact CB-CB 3.69Å; C320-C414 WeakPolarHBondContact CB-SG 3.21Å; C320-C414 WeakPolarHBondContact SG-CB 3.34Å; C320-C414 CovalentContact SG-SG 2.02Å; C320-C414 PolarHBondContact SG-SG 3.22Å
321	F	68.3	Low	67.1	Low	111 Å²	111	61.9 Å²	61.9	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.6	-177.5	174.6	-95.3	0	0	0	109.6	Q323 V333 K334	F321-Q323 HydrophobicContact CE1-CB 3.75Å; F321-Q323 HydrophobicContact CZ-CB 4.2Å; F321-V333 CarbonylContact O-C 3.52Å; F321-V333 WeakPolarHBondContact O-CA 3.45Å; F321-K334 HydrophobicContact CB-CB 4.4Å; F321-K334 HydrophobicContact CD1-CD 4.47Å; F321-K334 HydrophobicContact CD1-CG 4.44Å; F321-K334 PolarHBondContact N-O 2.71Å; F321-K334 PolarHBondContact O-N 2.83Å
322	F	73.1	Confident	68.5	Low	42 Å²	42	56.5 Å²	56.5	18%	0.184	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.9	-174.3	-54.6	-95.1	0	0	0	109.3	C320 V333 I397 I399 A416 V418	C320-F322 HydrophobicContact CB-CE2 3.78Å; C320-F322 HydrophobicContact CB-CZ 3.96Å; F322-V333 HydrophobicContact CD1-CB 4.47Å; F322-V333 HydrophobicContact CD1-CG1 3.79Å; F322-V333 HydrophobicContact CD1-CG2 4.09Å; F322-V333 HydrophobicContact CE1-CG1 3.67Å; F322-I397 HydrophobicContact CD1-CB 4.03Å; F322-I397 HydrophobicContact CD1-CD1 4.37Å; F322-I397 HydrophobicContact CD1-CG2 4.05Å; F322-I397 HydrophobicContact CE1-CB 3.89Å; F322-I397 HydrophobicContact CE1-CG2 3.72Å; F322-I399 HydrophobicContact CE1-CD1 4.35Å; F322-I399 HydrophobicContact CZ-CD1 4.2Å; F322-A416 HydrophobicContact CB-CB 4.43Å; F322-A416 HydrophobicContact CD1-CB 4.16Å; F322-A416 HydrophobicContact CD2-CB 3.39Å; F322-A416 HydrophobicContact CE1-CB 4.26Å; F322-A416 HydrophobicContact CE2-CB 3.51Å; F322-A416 HydrophobicContact CG-CB 3.74Å; F322-A416 HydrophobicContact CZ-CB 3.96Å; F322-V418 HydrophobicContact CB-CG2 3.89Å
323	Q	68.6	Low	69.8	Low	87 Å²	87	51.9 Å²	51.9	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.3	-177.4	179.7	174.9	-1.3	0	0	110.7	F321 A331 Q332	F321-Q323 HydrophobicContact CE1-CB 3.75Å; F321-Q323 HydrophobicContact CZ-CB 4.2Å; Q323-A331 CarbonylContact O-C 3.22Å; Q323-A331 WeakPolarHBondContact O-CA 3.39Å; Q323-Q332 PolarHBondContact N-O 2.84Å; Q323-Q332 PolarHBondContact O-N 3.05Å
324	A	68.1	Low	70.7	Confident	29 Å²	29	48.1 Å²	48.1	24%	0.24	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.6	163.1	0	0	0	0	0	109.2	H326 V418 I420	A324-H326 PolarHBondContact O-N 3.08Å; A324-V418 HydrophobicContact CB-CG1 3.87Å; A324-I420 HydrophobicContact CB-CD1 4.13Å
325	I	66.3	Low	71.5	Confident	51 Å²	51	47.8 Å²	47.8	26%	0.262	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-84.9	118.6	177.3	-59.1	175.8	0	0	0	108	R327 S328 S330 Q332	I325-R327 PolarHBondContact O-N 2.75Å; I325-S328 WeakPolarHBondContact CB-OG 3.1Å; I325-S328 WeakPolarHBondContact CG2-OG 3.15Å; I325-S328 PolarHBondContact O-N 3.33Å; I325-S328 PolarHBondContact O-OG 2.74Å; I325-S330 PolarHBondContact N-O 3.21Å; I325-Q332 HydrophobicContact CD1-CB 4.4Å
326	H	60.9	Low	71.6	Confident	96 Å²	96	49.8 Å²	49.8	44%	0.444	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	125.6	-171.9	174.6	-113.8	0	0	0	111.4	A324 S328	A324-H326 PolarHBondContact O-N 3.08Å; H326-S328 VanDerWaalsContact C-N 3.35Å
327	R	64.1	Low	71.8	Confident	204 Å²	204	49.6 Å²	49.6	77%	0.77	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	9.5	-175.6	-53.9	172.8	-178.8	174.3	0.6	116.5	I325	I325-R327 PolarHBondContact O-N 2.75Å
328	S	72.9	Confident	71.3	Confident	30 Å²	30	50.3 Å²	50.3	21%	0.21	25%	0.246	C	C	.	.	S	Bend	trans	-116.4	154.6	168.1	59.8	0	0	0	0	111.9	I325 H326 S330	I325-S328 WeakPolarHBondContact CB-OG 3.1Å; I325-S328 WeakPolarHBondContact CG2-OG 3.15Å; I325-S328 PolarHBondContact O-N 3.33Å; I325-S328 PolarHBondContact O-OG 2.74Å; H326-S328 VanDerWaalsContact C-N 3.35Å; S328-S330 WeakPolarHBondContact CB-OG 3.3Å; S328-S330 PolarHBondContact O-N 3.45Å; S328-S330 PolarHBondContact OG-OG 2.93Å
329	P	82.7	Confident	70.8	Confident	67 Å²	67	50.2 Å²	50.2	44%	0.435	24%	0.244	S	C	.	.	S	Bend	trans	-77.6	49.8	172.9	34.3	-36.8	0	0	0	111.2	F387 G388 L389	P329-F387 CarbonylContact O-C 2.99Å; P329-G388 PolarHBondContact O-N 3.02Å; P329-L389 WeakPolarHBondContact CA-O 3.06Å; P329-L389 WeakPolarHBondContact CB-O 3.35Å; P329-L389 PolarHBondContact O-N 3.01Å
330	S	83.5	Confident	70.4	Confident	7 Å²	7	52 Å²	52	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.9	-173.3	56.3	0	0	0	0	114.7	I325 S328 I386	I325-S330 PolarHBondContact N-O 3.21Å; S328-S330 WeakPolarHBondContact CB-OG 3.3Å; S328-S330 PolarHBondContact O-N 3.45Å; S328-S330 PolarHBondContact OG-OG 2.93Å; S330-I386 CarbonylContact C-O 3.6Å; S330-I386 WeakPolarHBondContact CA-O 3.3Å; S330-I386 WeakPolarHBondContact CB-O 3.44Å
331	A	80.6	Confident	70.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144	173.8	0	0	0	0	0	110.5	Q323 E385 I386 L389 I397 I420	Q323-A331 CarbonylContact O-C 3.22Å; Q323-A331 WeakPolarHBondContact O-CA 3.39Å; A331-E385 CarbonylContact O-C 3.6Å; A331-E385 WeakPolarHBondContact O-CA 3.38Å; A331-I386 PolarHBondContact N-O 2.77Å; A331-I386 PolarHBondContact O-N 3.23Å; A331-L389 HydrophobicContact CB-CD1 3.98Å; A331-I397 HydrophobicContact CB-CD1 4.42Å; A331-I420 HydrophobicContact CB-CD1 3.77Å
332	Q	81.3	Confident	70.3	Confident	32 Å²	32	53.2 Å²	53.2	15%	0.15	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.6	172.7	-170.2	176.3	80.4	0	0	109.1	Q323 I325 K334 V383 V384 E385	Q323-Q332 PolarHBondContact N-O 2.84Å; Q323-Q332 PolarHBondContact O-N 3.05Å; I325-Q332 HydrophobicContact CD1-CB 4.4Å; Q332-K334 VanDerWaalsContact CD-CE 3.44Å; Q332-V383 HydrophobicContact CG-CG1 3.79Å; Q332-V384 CarbonylContact C-O 3.58Å; Q332-V384 WeakPolarHBondContact CA-O 2.77Å; Q332-E385 HydrophobicContact CB-CG 4.35Å; Q332-E385 HydrophobicContact CG-CG 4.04Å; Q332-E385 PolarHBondContact NE2-OE1 2.97Å
333	V	81.7	Confident	70.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.9	-179.9	-173.2	0	0	0	0	107.9	F321 F322 W335 V383 V384 I386 I397 I399	F321-V333 CarbonylContact O-C 3.52Å; F321-V333 WeakPolarHBondContact O-CA 3.45Å; F322-V333 HydrophobicContact CD1-CB 4.47Å; F322-V333 HydrophobicContact CD1-CG1 3.79Å; F322-V333 HydrophobicContact CD1-CG2 4.09Å; F322-V333 HydrophobicContact CE1-CG1 3.67Å; V333-W335 HydrophobicContact CB-CZ3 4.45Å; V333-W335 HydrophobicContact CG1-CE3 4.03Å; V333-W335 HydrophobicContact CG1-CZ3 4.12Å; V333-V383 CarbonylContact O-C 3.45Å; V333-V383 VanDerWaalsContact O-CA 3.31Å; V333-V383 WeakPolarHBondContact O-CA 3.41Å; V333-V384 PolarHBondContact N-O 3.48Å; V333-V384 PolarHBondContact O-N 2.69Å; V333-I386 HydrophobicContact CG2-CD1 3.59Å; V333-I386 HydrophobicContact CG2-CG1 4.41Å; V333-I397 HydrophobicContact CG2-CD1 4.27Å; V333-I397 HydrophobicContact CG2-CG2 4.01Å; V333-I399 HydrophobicContact CG1-CD1 3.68Å; V333-I399 HydrophobicContact CG1-CG1 4.19Å
334	K	81	Confident	71.1	Confident	63 Å²	63	53.1 Å²	53.1	27%	0.274	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.1	177.4	-51.9	-170.3	175.7	159	0	111.4	C320 F321 Q332 Y382 V383	C320-K334 CarbonylContact C-O 3.57Å; C320-K334 VanDerWaalsContact CA-O 3.29Å; C320-K334 WeakPolarHBondContact CA-O 2.97Å; F321-K334 HydrophobicContact CB-CB 4.4Å; F321-K334 HydrophobicContact CD1-CD 4.47Å; F321-K334 HydrophobicContact CD1-CG 4.44Å; F321-K334 PolarHBondContact N-O 2.71Å; F321-K334 PolarHBondContact O-N 2.83Å; Q332-K334 VanDerWaalsContact CD-CE 3.44Å; K334-Y382 CarbonylContact C-O 3.54Å; K334-Y382 WeakPolarHBondContact CA-O 3.23Å; K334-V383 HydrophobicContact CB-CG2 4.5Å; K334-V383 HydrophobicContact CD-CG2 4.05Å; K334-V383 HydrophobicContact CG-CB 4.45Å; K334-V383 HydrophobicContact CG-CG1 4.12Å; K334-V383 HydrophobicContact CG-CG2 3.92Å
335	W	76.6	Confident	72	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.9	175.1	66.5	99.6	0	0	0	113.8	P317 T319 C320 V333 F347 V349 V370 N381 Y382 V384 I399	P317-W335 HydrophobicContact CB-CB 4.29Å; P317-W335 HydrophobicContact CB-CG 4.32Å; P317-W335 HydrophobicContact CG-CG 4.43Å; T319-W335 VanDerWaalsContact O-CA 3.25Å; T319-W335 WeakPolarHBondContact O-CA 3.48Å; T319-W335 WeakPolarHBondContact O-CB 3.37Å; C320-W335 HydrophobicContact CB-CB 4.2Å; C320-W335 WeakPolarHBondContact SG-CB 3.45Å; V333-W335 HydrophobicContact CB-CZ3 4.45Å; V333-W335 HydrophobicContact CG1-CE3 4.03Å; V333-W335 HydrophobicContact CG1-CZ3 4.12Å; W335-F347 HydrophobicContact CZ2-CB 3.8Å; W335-F347 HydrophobicContact CZ2-CD2 4.21Å; W335-F347 HydrophobicContact CZ2-CG 4.08Å; W335-F347 AromaticContact NE1-CD1 3.66Å; W335-F347 AromaticContact NE1-CD2 3.54Å; W335-F347 AromaticContact NE1-CE1 3.89Å; W335-F347 AromaticContact NE1-CE2 3.76Å; W335-F347 AromaticContact NE1-CG 3.49Å; W335-F347 AromaticContact NE1-CZ 3.94Å; W335-V349 HydrophobicContact CH2-CG2 3.41Å; W335-V349 VanDerWaalsContact CH2-CG2 3.41Å; W335-V349 HydrophobicContact CZ2-CG2 4.19Å; W335-V349 HydrophobicContact CZ3-CG2 3.8Å; W335-V370 HydrophobicContact CH2-CB 4.4Å; W335-V370 HydrophobicContact CH2-CG1 4.27Å; W335-V370 HydrophobicContact CH2-CG2 4.08Å; W335-V370 HydrophobicContact CZ2-CB 4.27Å; W335-V370 HydrophobicContact CZ2-CG1 4.1Å; W335-V370 HydrophobicContact CZ2-CG2 4.43Å; W335-N381 CarbonylContact O-C 2.95Å; W335-N381 WeakPolarHBondContact O-CA 3.47Å; W335-Y382 HydrophobicContact CD2-CG 4.49Å; W335-Y382 AromaticContact CE2-CG 3.84Å; W335-Y382 HydrophobicContact CZ2-CD1 4.33Å; W335-Y382 HydrophobicContact CZ2-CG 4.09Å; W335-Y382 PolarHBondContact N-O 2.77Å; W335-Y382 AromaticContact NE1-CD2 3.89Å; W335-Y382 AromaticContact NE1-CG 3.7Å; W335-Y382 PolarHBondContact O-N 2.69Å; W335-V384 HydrophobicContact CH2-CB 4.42Å; W335-V384 HydrophobicContact CH2-CG2 3.72Å; W335-V384 HydrophobicContact CZ3-CB 4.23Å; W335-V384 HydrophobicContact CZ3-CG2 4.01Å; W335-I399 HydrophobicContact CB-CD1 3.93Å; W335-I399 HydrophobicContact CD2-CD1 3.81Å; W335-I399 HydrophobicContact CD2-CG1 4.41Å; W335-I399 HydrophobicContact CD2-CG2 4.05Å; W335-I399 HydrophobicContact CE3-CD1 3.66Å; W335-I399 HydrophobicContact CE3-CG1 4.26Å; W335-I399 HydrophobicContact CG-CD1 3.98Å; W335-I399 HydrophobicContact CG-CG2 4.32Å; W335-I399 HydrophobicContact CZ2-CG2 4.22Å; W335-I399 HydrophobicContact CZ3-CD1 4.4Å
336	R	68.9	Low	73	Confident	78 Å²	78	52.7 Å²	52.7	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.1	171.3	-62	-179.3	-177.1	-166.6	-1.6	109.6	E219 P317 S318 T319 N381	E219-R336 IonicContact OE1-CZ 3.65Å; E219-R336 IonicContact OE1-NE 3.36Å; E219-R336 IonicContact OE1-NH1 3.78Å; E219-R336 PolarHBondContact OE1-NH1 2.95Å; E219-R336 VanDerWaalsContact OE1-NH1 3.09Å; E219-R336 IonicContact OE1-NH2 2.76Å; E219-R336 WeakPolarHBondContact OE2-CD 3.37Å; E219-R336 IonicContact OE2-CZ 3.29Å; E219-R336 IonicContact OE2-NE 2.77Å; E219-R336 IonicContact OE2-NH1 2.97Å; E219-R336 PolarHBondContact OE2-NH1 3.03Å; P317-R336 WeakPolarHBondContact CA-O 3.45Å; P317-R336 WeakPolarHBondContact CB-O 3.43Å; S318-R336 PolarHBondContact N-O 3.2Å; T319-R336 PolarHBondContact O-N 3.28Å; R336-N381 PolarHBondContact NE-OD1 3.29Å; R336-N381 PolarHBondContact NH2-ND2 3.43Å; R336-N381 PolarHBondContact NH2-OD1 3.01Å; R336-N381 VanDerWaalsContact NH2-OD1 3.16Å
337	R	70.2	Confident	74.4	Confident	32 Å²	32	48.1 Å²	48.1	12%	0.121	24%	0.236	C	C	.	.			trans	-65.5	145.9	169.3	-171.8	175.6	58.3	78.3	-8.1	109.2	F347 D376 P377 Y382	R337-F347 HydrophobicContact CB-CZ 3.89Å; R337-F347 HydrophobicContact CG-CZ 3.83Å; R337-D376 IonicContact CZ-OD2 3.89Å; R337-D376 IonicContact NE-OD2 3.24Å; R337-D376 PolarHBondContact NE-OD2 3.12Å; R337-D376 PolarHBondContact NH2-O 2.83Å; R337-D376 IonicContact NH2-OD2 2.64Å; R337-D376 PolarHBondContact NH2-OD2 3.16Å; R337-P377 PolarHBondContact NH2-O 3.29Å; R337-Y382 HydrophobicContact CB-CE2 4.32Å
338	T	57.7	Low	75.7	Confident	17 Å²	17	40.1 Å²	40.1	10%	0.104	21%	0.208	C	C	.	.			trans	-61.7	145.8	167.5	42	0	0	0	0	110.4	E315 P316 Y340	E315-T338 HydrophobicContact CB-CG2 4.25Å; E315-T338 WeakPolarHBondContact CB-OG1 3.29Å; E315-T338 VanDerWaalsContact OE2-CB 3.32Å; E315-T338 WeakPolarHBondContact OE2-CB 3.49Å; E315-T338 PolarHBondContact OE2-OG1 3.38Å; P316-T338 WeakPolarHBondContact O-CG2 3.49Å; T338-Y340 PolarHBondContact O-N 3.04Å; T338-Y340 PolarHBondContact OG1-O 3.02Å
339	P	52	Low	76.5	Confident	46 Å²	46	38.8 Å²	38.8	30%	0.299	20%	0.198	S	C	.	.	S	Bend	trans	-73.4	-14.5	172.7	-5.3	19.9	0	0	0	113.4	W378	P339-W378 HydrophobicContact CB-CD2 4.07Å; P339-W378 HydrophobicContact CB-CE3 3.23Å; P339-W378 HydrophobicContact CB-CH2 3.95Å; P339-W378 HydrophobicContact CB-CZ3 3.17Å; P339-W378 HydrophobicContact CG-CE3 4.27Å; P339-W378 HydrophobicContact CG-CZ3 4.34Å; P339-W378 WeakPolarHBondContact O-CH2 3.28Å
340	Y	55.5	Low	76.9	Confident	66 Å²	66	35.8 Å²	35.8	26%	0.259	18%	0.178	S	C	.	.	S	Bend	trans	-111	173.3	-173.3	-47	-75.7	0	0	0	111.1	I303 E315 T338 W378	I303-Y340 HydrophobicContact CD1-CD1 4.23Å; I303-Y340 HydrophobicContact CD1-CD2 4.46Å; I303-Y340 HydrophobicContact CD1-CE1 3.52Å; I303-Y340 HydrophobicContact CD1-CE2 3.8Å; I303-Y340 WeakPolarHBondContact CD1-OH 3.29Å; I303-Y340 HydrophobicContact CG1-CD1 4.23Å; I303-Y340 HydrophobicContact CG1-CD2 3.83Å; I303-Y340 HydrophobicContact CG1-CE1 3.92Å; I303-Y340 HydrophobicContact CG1-CE2 3.5Å; I303-Y340 HydrophobicContact CG1-CG 4.21Å; I303-Y340 HydrophobicContact CG2-CD1 3.96Å; I303-Y340 HydrophobicContact CG2-CD2 4.4Å; I303-Y340 HydrophobicContact CG2-CE1 4.33Å; I303-Y340 HydrophobicContact CG2-CG 4.02Å; E315-Y340 WeakPolarHBondContact OE1-CB 3.35Å; E315-Y340 VanDerWaalsContact OE2-C 3.32Å; E315-Y340 WeakPolarHBondContact OE2-CB 3.32Å; T338-Y340 PolarHBondContact O-N 3.04Å; T338-Y340 PolarHBondContact OG1-O 3.02Å; Y340-W378 HydrophobicContact CE1-CH2 4.25Å; Y340-W378 HydrophobicContact CE1-CZ3 4.11Å
341	G	61.3	Low	77.1	Confident	36 Å²	36	35.5 Å²	35.5	37%	0.371	18%	0.176	S	C	.	.	S	Bend	trans	80.1	-173.1	-176.2	0	0	0	0	0	114.8	E315	E315-G341 PolarHBondContact OE1-N 3.4Å; E315-G341 VanDerWaalsContact OE1-N 3.17Å
342	R	69.5	Low	77.3	Confident	132 Å²	132	36 Å²	36	50%	0.498	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-75.6	143.7	169.1	-69.6	-170.7	-168.3	-161.9	3	110.5	V312 K313 V314	V312-R342 HydrophobicContact CB-CG 4.34Å; V312-R342 HydrophobicContact CG1-CG 3.92Å; V312-R342 WeakPolarHBondContact O-CD 3.33Å; V312-R342 PolarHBondContact O-NE 2.73Å; K313-R342 PolarHBondContact O-N 3.07Å; V314-R342 HydrophobicContact CG2-CB 3.76Å
343	I	75.8	Confident	77.3	Confident	116 Å²	116	34.7 Å²	34.7	60%	0.595	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-62.3	129.6	168.6	-54.5	175.4	0	0	0	107.9	L372	I343-L372 HydrophobicContact CG2-CD1 3.49Å; I343-L372 VanDerWaalsContact CG2-CD1 3.49Å
344	P	82.5	Confident	77.1	Confident	10 Å²	10	37.3 Å²	37.3	7%	0.065	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-66.4	170	174.7	19	-24.3	0	0	0	113.1	V314 F347 L372 A402	V314-P344 HydrophobicContact CG1-CB 3.88Å; V314-P344 HydrophobicContact CG1-CG 4.49Å; P344-F347 HydrophobicContact CG-CE1 4.01Å; P344-F347 HydrophobicContact CG-CE2 4.46Å; P344-F347 HydrophobicContact CG-CZ 3.9Å; P344-L372 HydrophobicContact CG-CD1 4.14Å; P344-L372 HydrophobicContact CG-CD2 4.17Å; P344-L372 WeakPolarHBondContact O-CD1 3.25Å; P344-A402 CarbonylContact C-O 3.44Å; P344-A402 WeakPolarHBondContact CA-O 3.25Å; P344-A402 WeakPolarHBondContact CB-O 3.48Å
345	S	86.3	Confident	76.4	Confident	51 Å²	51	38.4 Å²	38.4	36%	0.357	19%	0.194	S	C	.	.	S	Bend	trans	-78	-46.7	168.2	47.3	0	0	0	0	110.9	A402 D403	S345-A402 PolarHBondContact N-O 3.48Å; S345-A402 WeakPolarHBondContact OG-CB 3.11Å; S345-A402 PolarHBondContact OG-O 2.85Å; S345-D403 WeakPolarHBondContact CB-O 3.37Å; S345-D403 PolarHBondContact OG-O 3.3Å
346	H	88.7	Confident	75.5	Confident	21 Å²	21	42.4 Å²	42.4	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	172.7	174.4	57.3	-86.2	0	0	0	110	E348 E369 A402	H346-E348 IonicContact CD2-OE1 3.24Å; H346-E348 IonicContact CE1-OE1 2.77Å; H346-E348 IonicContact NE2-OE1 3.42Å; H346-E348 PolarHBondContact NE2-OE1 3.4Å; H346-E369 HydrophobicContact CB-CG 4.17Å; H346-A402 VanDerWaalsContact CE1-CB 3.48Å; H346-A402 WeakPolarHBondContact CE1-CB 3.06Å; H346-A402 WeakPolarHBondContact NE2-CB 3.05Å; H346-A402 PolarHBondContact O-N 2.95Å
347	F	89.4	Confident	74.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.4	163.9	-65.1	-74.6	0	0	0	110.2	P317 W335 R337 P344 V370 L372 Y382 I399 A400	P317-F347 HydrophobicContact CG-CD1 4Å; P317-F347 HydrophobicContact CG-CE1 3.74Å; W335-F347 HydrophobicContact CZ2-CB 3.8Å; W335-F347 HydrophobicContact CZ2-CD2 4.21Å; W335-F347 HydrophobicContact CZ2-CG 4.08Å; W335-F347 AromaticContact NE1-CD1 3.66Å; W335-F347 AromaticContact NE1-CD2 3.54Å; W335-F347 AromaticContact NE1-CE1 3.89Å; W335-F347 AromaticContact NE1-CE2 3.76Å; W335-F347 AromaticContact NE1-CG 3.49Å; W335-F347 AromaticContact NE1-CZ 3.94Å; R337-F347 HydrophobicContact CB-CZ 3.89Å; R337-F347 HydrophobicContact CG-CZ 3.83Å; P344-F347 HydrophobicContact CG-CE1 4.01Å; P344-F347 HydrophobicContact CG-CE2 4.46Å; P344-F347 HydrophobicContact CG-CZ 3.9Å; F347-V370 HydrophobicContact CB-CB 4.26Å; F347-V370 PolarHBondContact N-O 3.45Å; F347-V370 PolarHBondContact O-N 2.73Å; F347-L372 HydrophobicContact CD2-CD2 3.52Å; F347-L372 HydrophobicContact CE2-CD2 3.26Å; F347-L372 HydrophobicContact CZ-CD2 4.12Å; F347-Y382 AromaticContact CD2-CD1 3.98Å; F347-Y382 HydrophobicContact CD2-CD1 3.98Å; F347-Y382 HydrophobicContact CD2-CD2 4.49Å; F347-Y382 AromaticContact CD2-CE1 3.87Å; F347-Y382 HydrophobicContact CD2-CE1 3.87Å; F347-Y382 HydrophobicContact CD2-CE2 4.42Å; F347-Y382 HydrophobicContact CD2-CG 4.3Å; F347-Y382 HydrophobicContact CE2-CD1 4.12Å; F347-Y382 AromaticContact CE2-CD2 3.97Å; F347-Y382 HydrophobicContact CE2-CD2 3.97Å; F347-Y382 AromaticContact CE2-CE1 3.76Å; F347-Y382 HydrophobicContact CE2-CE1 3.76Å; F347-Y382 AromaticContact CE2-CE2 3.62Å; F347-Y382 HydrophobicContact CE2-CE2 3.62Å; F347-Y382 HydrophobicContact CE2-CG 4.22Å; F347-Y382 AromaticContact CE2-CZ 3.51Å; F347-Y382 HydrophobicContact CZ-CE2 4.35Å; F347-I399 HydrophobicContact CD1-CG2 4.46Å; F347-A400 CarbonylContact C-O 3.57Å; F347-A400 VanDerWaalsContact CA-O 3.26Å; F347-A400 WeakPolarHBondContact CA-O 3.07Å; F347-A400 WeakPolarHBondContact CD1-O 3.19Å
348	E	90.8	Very high	73.7	Confident	36 Å²	36	44.5 Å²	44.5	17%	0.168	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.3	170.2	-65.3	-172.2	-166.3	0	0	109.5	H346 H350 V367 E368 I399 A400 L408	H346-E348 IonicContact CD2-OE1 3.24Å; H346-E348 IonicContact CE1-OE1 2.77Å; H346-E348 IonicContact NE2-OE1 3.42Å; H346-E348 PolarHBondContact NE2-OE1 3.4Å; E348-H350 WeakPolarHBondContact CB-NE2 3.22Å; E348-H350 IonicContact OE2-CE1 2.85Å; E348-H350 IonicContact OE2-NE2 3.66Å; E348-V367 HydrophobicContact CB-CG1 3.98Å; E348-V367 HydrophobicContact CG-CG1 4.32Å; E348-E368 WeakPolarHBondContact CA-O 2.95Å; E348-I399 WeakPolarHBondContact O-CA 3.42Å; E348-A400 PolarHBondContact N-O 2.91Å; E348-A400 PolarHBondContact O-N 3.17Å; E348-L408 HydrophobicContact CB-CD2 4.42Å; E348-L408 VanDerWaalsContact CD-CD2 3.5Å; E348-L408 HydrophobicContact CG-CD2 4.05Å; E348-L408 WeakPolarHBondContact OE2-CD1 3.1Å
349	V	90.2	Very high	73	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.3	171.4	-175	0	0	0	0	108.1	W335 V367 E368 V370 V384 I386 I397 I399	W335-V349 HydrophobicContact CH2-CG2 3.41Å; W335-V349 VanDerWaalsContact CH2-CG2 3.41Å; W335-V349 HydrophobicContact CZ2-CG2 4.19Å; W335-V349 HydrophobicContact CZ3-CG2 3.8Å; V349-V367 WeakPolarHBondContact O-CA 3.34Å; V349-E368 HydrophobicContact CB-CB 4.28Å; V349-E368 PolarHBondContact N-O 2.8Å; V349-E368 PolarHBondContact O-N 3.42Å; V349-V370 HydrophobicContact CG2-CG2 4.26Å; V349-V384 HydrophobicContact CG2-CB 4.43Å; V349-V384 HydrophobicContact CG2-CG2 4.07Å; V349-I386 HydrophobicContact CG1-CD1 4.47Å; V349-I397 HydrophobicContact CG1-CG2 3.98Å; V349-I399 HydrophobicContact CG2-CG1 4.42Å
350	H	90.6	Very high	72.3	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.023	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.9	179.2	-59.4	-109.7	0	0	0	109.5	E348 E364 I397 S398 F410	E348-H350 WeakPolarHBondContact CB-NE2 3.22Å; E348-H350 IonicContact OE2-CE1 2.85Å; E348-H350 IonicContact OE2-NE2 3.66Å; H350-E364 IonicContact CE1-OE1 2.67Å; H350-E364 IonicContact CG-OE1 3.59Å; H350-E364 IonicContact ND1-OE1 3.63Å; H350-E364 PolarHBondContact ND1-OE1 3.14Å; H350-I397 WeakPolarHBondContact O-CA 3.16Å; H350-S398 PolarHBondContact N-O 3.2Å; H350-S398 PolarHBondContact O-N 3.23Å; H350-F410 AromaticContact CD2-CE1 3.54Å; H350-F410 AromaticContact CD2-CZ 3.78Å; H350-F410 AromaticContact CE1-CZ 3.92Å; H350-F410 AromaticContact NE2-CE1 3.79Å; H350-F410 AromaticContact NE2-CZ 3.53Å
351	V	88.4	Confident	71.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	175.1	-173.5	0	0	0	0	109.2	E364 L365 Y366 I386 L389 Y395	V351-E364 CarbonylContact O-C 3.6Å; V351-L365 HydrophobicContact CG1-CD2 4.22Å; V351-L365 WeakPolarHBondContact O-CB 3.1Å; V351-L365 PolarHBondContact O-N 3.12Å; V351-Y366 PolarHBondContact N-O 3.2Å; V351-I386 HydrophobicContact CG2-CD1 3.61Å; V351-I386 HydrophobicContact CG2-CG1 4.18Å; V351-I386 HydrophobicContact CG2-CG2 4.17Å; V351-L389 HydrophobicContact CG1-CD2 4.22Å; V351-Y395 HydrophobicContact CG1-CD1 4.2Å; V351-Y395 HydrophobicContact CG1-CG 4.4Å
352	L	84.8	Confident	70.5	Confident	10 Å²	10	73.4 Å²	73.4	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	-177	-75.5	159.2	0	0	0	110.1	L354 K362 E364 Y395 E396	L352-L354 PolarHBondContact O-N 3.36Å; L352-K362 HydrophobicContact CD2-CB 4.22Å; L352-K362 HydrophobicContact CD2-CD 4.48Å; L352-K362 HydrophobicContact CD2-CG 4.31Å; L352-E364 HydrophobicContact CD2-CB 4.45Å; L352-E364 HydrophobicContact CD2-CG 3.76Å; L352-E364 HydrophobicContact CG-CG 4.4Å; L352-Y395 CarbonylContact O-C 3.49Å; L352-Y395 VanDerWaalsContact O-CA 3.23Å; L352-Y395 WeakPolarHBondContact O-CA 3.19Å; L352-E396 HydrophobicContact CB-CB 4.09Å; L352-E396 HydrophobicContact CD1-CG 4.4Å; L352-E396 PolarHBondContact N-O 2.94Å; L352-E396 PolarHBondContact O-N 3.35Å
353	D	81.7	Confident	69.6	Low	5 Å²	5	69.9 Å²	69.9	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.2	173.4	180	-21.3	0	0	0	110.1	I355 N356 S357 Y395	D353-I355 VanDerWaalsContact C-N 3.32Å; D353-I355 PolarHBondContact O-N 3.41Å; D353-I355 PolarHBondContact OD1-N 2.95Å; D353-N356 HydrophobicContact CB-CB 4.46Å; D353-N356 PolarHBondContact OD1-N 2.69Å; D353-N356 PolarHBondContact OD2-ND2 2.76Å; D353-S357 WeakPolarHBondContact O-CB 3.05Å; D353-S357 PolarHBondContact O-N 3Å; D353-Y395 HydrophobicContact CB-CD1 4.18Å; D353-Y395 HydrophobicContact CB-CE1 4Å
354	L	76.4	Confident	68.8	Low	56 Å²	56	68.9 Å²	68.9	29%	0.293	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.7	-175.6	-68.9	175.7	0	0	0	114.3	L352 S357 P394 E396 V417	L352-L354 PolarHBondContact O-N 3.36Å; L354-S357 PolarHBondContact O-OG 2.87Å; L354-P394 HydrophobicContact CB-CB 4.46Å; L354-P394 HydrophobicContact CB-CG 4.17Å; L354-P394 HydrophobicContact CD1-CB 4.32Å; L354-P394 PolarHBondContact N-O 2.95Å; L354-E396 HydrophobicContact CD1-CB 4.08Å; L354-E396 HydrophobicContact CD2-CB 3.95Å; L354-E396 HydrophobicContact CG-CB 4.02Å; L354-V417 HydrophobicContact CD1-CB 4.46Å; L354-V417 HydrophobicContact CD1-CG1 3.73Å; L354-V417 HydrophobicContact CD1-CG2 3.89Å
355	I	68.2	Low	68.1	Low	85 Å²	85	72.7 Å²	72.7	44%	0.436	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-39.5	174.2	-69.3	170.1	0	0	0	110.1	D353 V358 Q393 P394	D353-I355 VanDerWaalsContact C-N 3.32Å; D353-I355 PolarHBondContact O-N 3.41Å; D353-I355 PolarHBondContact OD1-N 2.95Å; I355-V358 WeakPolarHBondContact O-CG2 3.38Å; I355-Q393 HydrophobicContact CD1-CB 4.2Å; I355-Q393 HydrophobicContact CD1-CG 3.9Å; I355-P394 HydrophobicContact CD1-CG 4.33Å; I355-P394 HydrophobicContact CG1-CG 4.1Å
356	N	56.9	Low	67.7	Low	86 Å²	86	76.2 Å²	76.2	46%	0.46	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-84.4	-16.9	-178.4	-73.3	-49.5	0	0	0	113.7	D353 V358	D353-N356 HydrophobicContact CB-CB 4.46Å; D353-N356 PolarHBondContact OD1-N 2.69Å; D353-N356 PolarHBondContact OD2-ND2 2.76Å; N356-V358 PolarHBondContact O-N 2.9Å; N356-V358 VanDerWaalsContact O-N 3.17Å
357	S	52.4	Low	67.3	Low	45 Å²	45	77.4 Å²	77.4	32%	0.315	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-65.2	-14.4	179.2	65.2	0	0	0	0	115.1	D353 L354 H359 Y360	D353-S357 WeakPolarHBondContact O-CB 3.05Å; D353-S357 PolarHBondContact O-N 3Å; L354-S357 PolarHBondContact O-OG 2.87Å; S357-H359 PolarHBondContact O-N 2.81Å; S357-Y360 PolarHBondContact O-N 3.3Å
358	V	47.9	Very low	67.1	Low	109 Å²	109	79.8 Å²	79.8	66%	0.661	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-56	-20.1	179.2	-178.2	0	0	0	0	113	I355 N356 Y360	I355-V358 WeakPolarHBondContact O-CG2 3.38Å; N356-V358 PolarHBondContact O-N 2.9Å; N356-V358 VanDerWaalsContact O-N 3.17Å; V358-Y360 PolarHBondContact O-N 3.47Å
359	H	44.4	Very low	67	Low	165 Å²	165	83.3 Å²	83.3	76%	0.764	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-93.7	30.5	178	-78.8	65.5	0	0	0	115	S357 R361	S357-H359 PolarHBondContact O-N 2.81Å; H359-R361 PolarHBondContact O-N 3.28Å
360	Y	36.8	Very low	66.9	Low	233 Å²	233	84.3 Å²	84.3	91%	0.914	40%	0.401	S	S	*	.	S	Bend	trans	57.4	-2.9	169.3	-100.8	-85	0	0	0	118.1	S357 V358	S357-Y360 PolarHBondContact O-N 3.3Å; V358-Y360 PolarHBondContact O-N 3.47Å
361	R	36.8	Very low	66.7	Low	214 Å²	214	91 Å²	91	81%	0.808	43%	0.43	S	S	*	.			trans	-94.2	113.4	163.1	-74.4	-177.7	172.8	179.7	-2.4	107.4	H359 S363	H359-R361 PolarHBondContact O-N 3.28Å; R361-S363 VanDerWaalsContact C-N 3.28Å; R361-S363 PolarHBondContact O-N 2.8Å
362	K	42.6	Very low	66.3	Low	160 Å²	160	92.9 Å²	92.9	70%	0.696	44%	0.44	S	S	*	.			trans	-56.2	98.5	157.6	-80	-169.3	169.6	-162.2	0	107.3	L352 E364	L352-K362 HydrophobicContact CD2-CB 4.22Å; L352-K362 HydrophobicContact CD2-CD 4.48Å; L352-K362 HydrophobicContact CD2-CG 4.31Å; K362-E364 PolarHBondContact O-N 3.29Å
363	S	49.9	Very low	65.7	Low	58 Å²	58	96.3 Å²	96.3	41%	0.406	46%	0.458	S	S	.	.			trans	-85.9	90	160.2	50.7	0	0	0	0	106.1	R361 L365	R361-S363 VanDerWaalsContact C-N 3.28Å; R361-S363 PolarHBondContact O-N 2.8Å; S363-L365 PolarHBondContact O-N 2.91Å
364	E	59.2	Low	64.7	Low	96 Å²	96	106.3 Å²	106.3	45%	0.449	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	109.8	160	-69.3	176.8	140.1	0	0	105.9	H350 V351 L352 K362 Y366 V367	H350-E364 IonicContact CE1-OE1 2.67Å; H350-E364 IonicContact CG-OE1 3.59Å; H350-E364 IonicContact ND1-OE1 3.63Å; H350-E364 PolarHBondContact ND1-OE1 3.14Å; V351-E364 CarbonylContact O-C 3.6Å; L352-E364 HydrophobicContact CD2-CB 4.45Å; L352-E364 HydrophobicContact CD2-CG 3.76Å; L352-E364 HydrophobicContact CG-CG 4.4Å; K362-E364 PolarHBondContact O-N 3.29Å; E364-Y366 PolarHBondContact O-N 2.83Å; E364-V367 HydrophobicContact CB-CG2 4.1Å; E364-V367 HydrophobicContact CG-CG2 4.49Å
365	L	66.9	Low	63.8	Low	89 Å²	89	110.6 Å²	110.6	47%	0.466	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-37.8	-175.1	-174.3	75.2	0	0	0	109.5	V351 S363 L389 Y395	V351-L365 HydrophobicContact CG1-CD2 4.22Å; V351-L365 WeakPolarHBondContact O-CB 3.1Å; V351-L365 PolarHBondContact O-N 3.12Å; S363-L365 PolarHBondContact O-N 2.91Å; L365-L389 HydrophobicContact CD2-CD2 3.8Å; L365-Y395 HydrophobicContact CD2-CD1 4.05Å; L365-Y395 HydrophobicContact CD2-CE1 3.66Å
366	Y	77.8	Confident	63	Low	126 Å²	126	107.6 Å²	107.6	49%	0.494	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	150.1	172.6	-175.5	-126.1	0	0	0	109.6	V351 E364 E368	V351-Y366 PolarHBondContact N-O 3.2Å; E364-Y366 PolarHBondContact O-N 2.83Å; Y366-E368 HydrophobicContact CD1-CB 4.22Å; Y366-E368 HydrophobicContact CE1-CB 3.57Å; Y366-E368 HydrophobicContact CE1-CG 3.85Å
367	V	81.4	Confident	62.4	Low	45 Å²	45	107.7 Å²	107.7	27%	0.273	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.6	166.5	-177.9	0	0	0	0	106.9	E348 V349 E364	E348-V367 HydrophobicContact CB-CG1 3.98Å; E348-V367 HydrophobicContact CG-CG1 4.32Å; V349-V367 WeakPolarHBondContact O-CA 3.34Å; E364-V367 HydrophobicContact CB-CG2 4.1Å; E364-V367 HydrophobicContact CG-CG2 4.49Å
368	E	85.7	Confident	62.2	Low	51 Å²	51	113.9 Å²	113.9	24%	0.238	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.2	177.8	-160.8	169	143.6	0	0	110.6	E348 V349 Y366 V370 V384	E348-E368 WeakPolarHBondContact CA-O 2.95Å; V349-E368 HydrophobicContact CB-CB 4.28Å; V349-E368 PolarHBondContact N-O 2.8Å; V349-E368 PolarHBondContact O-N 3.42Å; Y366-E368 HydrophobicContact CD1-CB 4.22Å; Y366-E368 HydrophobicContact CE1-CB 3.57Å; Y366-E368 HydrophobicContact CE1-CG 3.85Å; E368-V370 HydrophobicContact CG-CG2 4.31Å; E368-V370 PolarHBondContact O-N 3.19Å; E368-V384 WeakPolarHBondContact OE2-CG1 3Å
369	E	87.5	Confident	62	Low	109 Å²	109	111 Å²	111	51%	0.509	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.9	174.4	-169	-153.3	125.8	0	0	109.9	H346 K371	H346-E369 HydrophobicContact CB-CG 4.17Å; E369-K371 WeakPolarHBondContact OE1-CE 3Å
370	V	88.3	Confident	62.4	Low	22 Å²	22	107.4 Å²	107.4	13%	0.133	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	101.8	-177	-179.3	0	0	0	0	109.5	W335 F347 V349 E368 Y382 V384	W335-V370 HydrophobicContact CH2-CB 4.4Å; W335-V370 HydrophobicContact CH2-CG1 4.27Å; W335-V370 HydrophobicContact CH2-CG2 4.08Å; W335-V370 HydrophobicContact CZ2-CB 4.27Å; W335-V370 HydrophobicContact CZ2-CG1 4.1Å; W335-V370 HydrophobicContact CZ2-CG2 4.43Å; F347-V370 HydrophobicContact CB-CB 4.26Å; F347-V370 PolarHBondContact N-O 3.45Å; F347-V370 PolarHBondContact O-N 2.73Å; V349-V370 HydrophobicContact CG2-CG2 4.26Å; E368-V370 HydrophobicContact CG-CG2 4.31Å; E368-V370 PolarHBondContact O-N 3.19Å; V370-Y382 HydrophobicContact CG1-CD1 3.97Å; V370-V384 HydrophobicContact CG2-CG2 3.51Å
371	K	86.2	Confident	63.8	Low	147 Å²	147	100.1 Å²	100.1	64%	0.639	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.1	178.8	-66.4	178.8	-179.4	175.8	0	110.9	E369 N373	E369-K371 WeakPolarHBondContact OE1-CE 3Å; K371-N373 PolarHBondContact O-N 2.86Å
372	L	80.4	Confident	65.8	Low	40 Å²	40	90.3 Å²	90.3	21%	0.209	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-66.5	135.3	179.2	-60.1	-171.9	0	0	0	112.2	I343 P344 F347 K374 Y382	I343-L372 HydrophobicContact CG2-CD1 3.49Å; I343-L372 VanDerWaalsContact CG2-CD1 3.49Å; P344-L372 HydrophobicContact CG-CD1 4.14Å; P344-L372 HydrophobicContact CG-CD2 4.17Å; P344-L372 WeakPolarHBondContact O-CD1 3.25Å; F347-L372 HydrophobicContact CD2-CD2 3.52Å; F347-L372 HydrophobicContact CE2-CD2 3.26Å; F347-L372 HydrophobicContact CZ-CD2 4.12Å; L372-K374 PolarHBondContact O-N 2.9Å; L372-Y382 HydrophobicContact CD2-CE1 4.17Å
373	N	71.6	Confident	67.8	Low	82 Å²	82	86.1 Å²	86.1	44%	0.439	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-62.7	126.3	166.7	-75.5	-4.1	0	0	0	109.1	K371 L375 D376 E380	K371-N373 PolarHBondContact O-N 2.86Å; N373-L375 PolarHBondContact O-N 2.81Å; N373-D376 PolarHBondContact O-N 2.56Å; N373-E380 PolarHBondContact ND2-OE2 3.01Å
374	K	62.4	Low	69.6	Low	214 Å²	214	83.6 Å²	83.6	93%	0.93	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	4.1	-178.4	-62.9	-177.8	178	180	0	114.6	L372	L372-K374 PolarHBondContact O-N 2.9Å
375	L	56.2	Low	70.9	Confident	147 Å²	147	82.9 Å²	82.9	77%	0.77	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	18	-169.3	-79	161	0	0	0	112.1	N373 P377	N373-L375 PolarHBondContact O-N 2.81Å; L375-P377 VanDerWaalsContact C-CD 3.49Å; L375-P377 WeakPolarHBondContact O-CD 3.33Å
376	D	51.9	Low	71.9	Confident	21 Å²	21	79 Å²	79	11%	0.112	39%	0.393	C	S	.	.			trans	-99.5	90.4	-177.8	174.9	42.2	0	0	0	113.1	R337 N373 G379 E380 Y382	R337-D376 IonicContact CZ-OD2 3.89Å; R337-D376 IonicContact NE-OD2 3.24Å; R337-D376 PolarHBondContact NE-OD2 3.12Å; R337-D376 PolarHBondContact NH2-O 2.83Å; R337-D376 IonicContact NH2-OD2 2.64Å; R337-D376 PolarHBondContact NH2-OD2 3.16Å; N373-D376 PolarHBondContact O-N 2.56Å; D376-G379 PolarHBondContact OD1-N 3.32Å; D376-E380 PolarHBondContact OD1-N 3.31Å; D376-Y382 PolarHBondContact OD2-OH 2.64Å
377	P	43.3	Very low	72.2	Confident	88 Å²	88	79.8 Å²	79.8	57%	0.571	40%	0.399	S	S	*	.	S	Bend	trans	-82.6	-48.7	174.5	36.5	-38.7	0	0	0	111.5	R337 L375	R337-P377 PolarHBondContact NH2-O 3.29Å; L375-P377 VanDerWaalsContact C-CD 3.49Å; L375-P377 WeakPolarHBondContact O-CD 3.33Å
378	W	48.2	Very low	72.3	Confident	175 Å²	175	80.8 Å²	80.8	66%	0.663	42%	0.419	S	S	*	.	S	Bend	trans	-150.9	21.4	-171.7	-63.9	77.3	0	0	0	115.6	P339 Y340	P339-W378 HydrophobicContact CB-CD2 4.07Å; P339-W378 HydrophobicContact CB-CE3 3.23Å; P339-W378 HydrophobicContact CB-CH2 3.95Å; P339-W378 HydrophobicContact CB-CZ3 3.17Å; P339-W378 HydrophobicContact CG-CE3 4.27Å; P339-W378 HydrophobicContact CG-CZ3 4.34Å; P339-W378 WeakPolarHBondContact O-CH2 3.28Å; Y340-W378 HydrophobicContact CE1-CH2 4.25Å; Y340-W378 HydrophobicContact CE1-CZ3 4.11Å
379	G	44.8	Very low	72.3	Confident	49 Å²	49	78.5 Å²	78.5	51%	0.505	41%	0.408	S	S	.	.			trans	177.9	18.6	-172.5	0	0	0	0	0	123.8	D376	D376-G379 PolarHBondContact OD1-N 3.32Å
380	E	51.6	Low	72	Confident	90 Å²	90	79.4 Å²	79.4	42%	0.421	41%	0.41	S	S	.	.			trans	-79.6	143.5	169	-69.9	-154.1	143.8	0	0	112.6	N373 D376	N373-E380 PolarHBondContact ND2-OE2 3.01Å; D376-E380 PolarHBondContact OD1-N 3.31Å
381	N	67.2	Low	71.5	Confident	79 Å²	79	83 Å²	83	42%	0.422	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.6	170.2	-60.5	-93.3	0	0	0	107.6	W335 R336	W335-N381 CarbonylContact O-C 2.95Å; W335-N381 WeakPolarHBondContact O-CA 3.47Å; R336-N381 PolarHBondContact NE-OD1 3.29Å; R336-N381 PolarHBondContact NH2-ND2 3.43Å; R336-N381 PolarHBondContact NH2-OD1 3.01Å; R336-N381 VanDerWaalsContact NH2-OD1 3.16Å
382	Y	79.2	Confident	70.8	Confident	9 Å²	9	77.8 Å²	77.8	4%	0.035	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.9	166.5	-68.5	-94.8	0	0	0	108.7	K334 W335 R337 F347 V370 L372 D376	K334-Y382 CarbonylContact C-O 3.54Å; K334-Y382 WeakPolarHBondContact CA-O 3.23Å; W335-Y382 HydrophobicContact CD2-CG 4.49Å; W335-Y382 AromaticContact CE2-CG 3.84Å; W335-Y382 HydrophobicContact CZ2-CD1 4.33Å; W335-Y382 HydrophobicContact CZ2-CG 4.09Å; W335-Y382 PolarHBondContact N-O 2.77Å; W335-Y382 AromaticContact NE1-CD2 3.89Å; W335-Y382 AromaticContact NE1-CG 3.7Å; W335-Y382 PolarHBondContact O-N 2.69Å; R337-Y382 HydrophobicContact CB-CE2 4.32Å; F347-Y382 AromaticContact CD2-CD1 3.98Å; F347-Y382 HydrophobicContact CD2-CD1 3.98Å; F347-Y382 HydrophobicContact CD2-CD2 4.49Å; F347-Y382 AromaticContact CD2-CE1 3.87Å; F347-Y382 HydrophobicContact CD2-CE1 3.87Å; F347-Y382 HydrophobicContact CD2-CE2 4.42Å; F347-Y382 HydrophobicContact CD2-CG 4.3Å; F347-Y382 HydrophobicContact CE2-CD1 4.12Å; F347-Y382 AromaticContact CE2-CD2 3.97Å; F347-Y382 HydrophobicContact CE2-CD2 3.97Å; F347-Y382 AromaticContact CE2-CE1 3.76Å; F347-Y382 HydrophobicContact CE2-CE1 3.76Å; F347-Y382 AromaticContact CE2-CE2 3.62Å; F347-Y382 HydrophobicContact CE2-CE2 3.62Å; F347-Y382 HydrophobicContact CE2-CG 4.22Å; F347-Y382 AromaticContact CE2-CZ 3.51Å; F347-Y382 HydrophobicContact CZ-CE2 4.35Å; V370-Y382 HydrophobicContact CG1-CD1 3.97Å; L372-Y382 HydrophobicContact CD2-CE1 4.17Å; D376-Y382 PolarHBondContact OD2-OH 2.64Å
383	V	83.7	Confident	70.5	Confident	71 Å²	71	77.1 Å²	77.1	43%	0.43	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.4	-179.2	-174.7	0	0	0	0	109.7	Q332 V333 K334	Q332-V383 HydrophobicContact CG-CG1 3.79Å; V333-V383 CarbonylContact O-C 3.45Å; V333-V383 VanDerWaalsContact O-CA 3.31Å; V333-V383 WeakPolarHBondContact O-CA 3.41Å; K334-V383 HydrophobicContact CB-CG2 4.5Å; K334-V383 HydrophobicContact CD-CG2 4.05Å; K334-V383 HydrophobicContact CG-CB 4.45Å; K334-V383 HydrophobicContact CG-CG1 4.12Å; K334-V383 HydrophobicContact CG-CG2 3.92Å
384	V	87.6	Confident	70.8	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.03	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	172.8	163.4	0	0	0	0	109.6	Q332 V333 W335 V349 E368 V370 I386	Q332-V384 CarbonylContact C-O 3.58Å; Q332-V384 WeakPolarHBondContact CA-O 2.77Å; V333-V384 PolarHBondContact N-O 3.48Å; V333-V384 PolarHBondContact O-N 2.69Å; W335-V384 HydrophobicContact CH2-CB 4.42Å; W335-V384 HydrophobicContact CH2-CG2 3.72Å; W335-V384 HydrophobicContact CZ3-CB 4.23Å; W335-V384 HydrophobicContact CZ3-CG2 4.01Å; V349-V384 HydrophobicContact CG2-CB 4.43Å; V349-V384 HydrophobicContact CG2-CG2 4.07Å; E368-V384 WeakPolarHBondContact OE2-CG1 3Å; V370-V384 HydrophobicContact CG2-CG2 3.51Å; V384-I386 HydrophobicContact CG1-CG1 4.04Å
385	E	86.5	Confident	71.7	Confident	82 Å²	82	64.7 Å²	64.7	38%	0.383	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.4	170.5	-69.2	-167.5	173.7	0	0	110.1	A331 Q332 F387	A331-E385 CarbonylContact O-C 3.6Å; A331-E385 WeakPolarHBondContact O-CA 3.38Å; Q332-E385 HydrophobicContact CB-CG 4.35Å; Q332-E385 HydrophobicContact CG-CG 4.04Å; Q332-E385 PolarHBondContact NE2-OE1 2.97Å; E385-F387 HydrophobicContact CB-CE2 3.66Å; E385-F387 HydrophobicContact CB-CZ 3.71Å; E385-F387 WeakPolarHBondContact O-CD2 3.12Å; E385-F387 WeakPolarHBondContact O-CE2 3.12Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.24Å
386	I	87.5	Confident	73	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.9	178.2	-53.7	159.4	0	0	0	107.9	S330 A331 V333 V349 V351 V384 L389 I397	S330-I386 CarbonylContact C-O 3.6Å; S330-I386 WeakPolarHBondContact CA-O 3.3Å; S330-I386 WeakPolarHBondContact CB-O 3.44Å; A331-I386 PolarHBondContact N-O 2.77Å; A331-I386 PolarHBondContact O-N 3.23Å; V333-I386 HydrophobicContact CG2-CD1 3.59Å; V333-I386 HydrophobicContact CG2-CG1 4.41Å; V349-I386 HydrophobicContact CG1-CD1 4.47Å; V351-I386 HydrophobicContact CG2-CD1 3.61Å; V351-I386 HydrophobicContact CG2-CG1 4.18Å; V351-I386 HydrophobicContact CG2-CG2 4.17Å; V384-I386 HydrophobicContact CG1-CG1 4.04Å; I386-L389 HydrophobicContact CB-CD1 4.19Å; I386-L389 HydrophobicContact CG2-CD1 3.77Å; I386-L389 HydrophobicContact CG2-CD2 3.83Å; I386-L389 HydrophobicContact CG2-CG 3.89Å; I386-I397 HydrophobicContact CD1-CD1 3.78Å; I386-I397 HydrophobicContact CD1-CG1 4.47Å; I386-I397 HydrophobicContact CD1-CG2 4.22Å
387	F	86	Confident	74.6	Confident	142 Å²	142	58.9 Å²	58.9	62%	0.623	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	167.1	178.8	-61	-84.1	0	0	0	112.2	P329 E385 L389	P329-F387 CarbonylContact O-C 2.99Å; E385-F387 HydrophobicContact CB-CE2 3.66Å; E385-F387 HydrophobicContact CB-CZ 3.71Å; E385-F387 WeakPolarHBondContact O-CD2 3.12Å; E385-F387 WeakPolarHBondContact O-CE2 3.12Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.24Å; F387-L389 VanDerWaalsContact C-N 3.34Å; F387-L389 PolarHBondContact O-N 3.39Å
388	G	83.3	Confident	76.7	Confident	67 Å²	67	55.1 Å²	55.1	69%	0.691	30%	0.3	S	S	*	.	S	Bend	trans	81.2	9.5	173	0	0	0	0	0	115.1	P329	P329-G388 PolarHBondContact O-N 3.02Å
389	L	84.2	Confident	78.5	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-78.8	139.9	-177.9	-55	175.7	0	0	0	111.6	P329 A331 V351 L365 I386 F387 Y395 I420	P329-L389 WeakPolarHBondContact CA-O 3.06Å; P329-L389 WeakPolarHBondContact CB-O 3.35Å; P329-L389 PolarHBondContact O-N 3.01Å; A331-L389 HydrophobicContact CB-CD1 3.98Å; V351-L389 HydrophobicContact CG1-CD2 4.22Å; L365-L389 HydrophobicContact CD2-CD2 3.8Å; I386-L389 HydrophobicContact CB-CD1 4.19Å; I386-L389 HydrophobicContact CG2-CD1 3.77Å; I386-L389 HydrophobicContact CG2-CD2 3.83Å; I386-L389 HydrophobicContact CG2-CG 3.89Å; F387-L389 VanDerWaalsContact C-N 3.34Å; F387-L389 PolarHBondContact O-N 3.39Å; L389-Y395 HydrophobicContact CB-CD2 4.4Å; L389-Y395 HydrophobicContact CB-CE2 3.76Å; L389-Y395 HydrophobicContact CD1-CD2 4.42Å; L389-Y395 HydrophobicContact CD2-CD1 4.26Å; L389-Y395 HydrophobicContact CD2-CD2 4.26Å; L389-Y395 HydrophobicContact CD2-CE1 4.12Å; L389-Y395 HydrophobicContact CD2-CE2 4.08Å; L389-Y395 HydrophobicContact CD2-CG 4.34Å; L389-Y395 HydrophobicContact CG-CE2 4.36Å; L389-I420 HydrophobicContact CB-CB 4.4Å; L389-I420 HydrophobicContact CB-CD1 4.33Å; L389-I420 HydrophobicContact CB-CG1 3.74Å; L389-I420 HydrophobicContact CB-CG2 4.22Å; L389-I420 HydrophobicContact CD1-CD1 3.52Å; L389-I420 HydrophobicContact CD1-CG1 3.77Å; L389-I420 HydrophobicContact CG-CG1 4.41Å
390	K	82.3	Confident	80.6	Confident	128 Å²	128	44.5 Å²	44.5	56%	0.557	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-80.3	130.9	-178.6	-60.7	-175.9	-164.8	149.1	0	111	G392 Q393 Y395	K390-G392 PolarHBondContact O-N 2.77Å; K390-Q393 HydrophobicContact CB-CB 4.43Å; K390-Q393 HydrophobicContact CB-CG 3.84Å; K390-Q393 PolarHBondContact O-N 2.86Å; K390-Y395 PolarHBondContact N-OH 3.34Å
391	I	76.5	Confident	82.2	Confident	98 Å²	98	40.2 Å²	40.2	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	132.6	174.1	-64.4	171.5	0	0	0	109.6	I420	I391-I420 CarbonylContact C-O 3.53Å; I391-I420 WeakPolarHBondContact CA-O 3.47Å; I391-I420 HydrophobicContact CG1-CG2 4.36Å
392	G	72.3	Confident	83.2	Confident	36 Å²	36	36.4 Å²	36.4	37%	0.371	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-5.5	-178.9	0	0	0	0	0	115.3	K390 I420	K390-G392 PolarHBondContact O-N 2.77Å; G392-I420 PolarHBondContact N-O 3.41Å
393	Q	75.1	Confident	83.4	Confident	26 Å²	26	37 Å²	37	12%	0.121	21%	0.208	C	C	.	.			trans	-89.6	140.6	174.9	-64.7	-158.2	-60.2	0	0	112	I355 K390 Y395 I419 I420	I355-Q393 HydrophobicContact CD1-CB 4.2Å; I355-Q393 HydrophobicContact CD1-CG 3.9Å; K390-Q393 HydrophobicContact CB-CB 4.43Å; K390-Q393 HydrophobicContact CB-CG 3.84Å; K390-Q393 PolarHBondContact O-N 2.86Å; Q393-Y395 HydrophobicContact CB-CE2 3.76Å; Q393-Y395 PolarHBondContact OE1-OH 3.06Å; Q393-I419 WeakPolarHBondContact O-CA 3.38Å; Q393-I420 PolarHBondContact O-N 3.23Å
394	P	76.3	Confident	83.4	Confident	32 Å²	32	41.8 Å²	41.8	21%	0.208	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.1	168.3	32.3	-29	0	0	0	111	L354 I355 V417 I419	L354-P394 HydrophobicContact CB-CB 4.46Å; L354-P394 HydrophobicContact CB-CG 4.17Å; L354-P394 HydrophobicContact CD1-CB 4.32Å; L354-P394 PolarHBondContact N-O 2.95Å; I355-P394 HydrophobicContact CD1-CG 4.33Å; I355-P394 HydrophobicContact CG1-CG 4.1Å; P394-V417 HydrophobicContact CB-CG1 4.04Å; P394-I419 HydrophobicContact CB-CG1 4.08Å
395	Y	81	Confident	83.3	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.9	172.3	-59.9	-80.8	0	0	0	109.8	V351 L352 D353 L365 L389 K390 Q393 V417 V418 I420	V351-Y395 HydrophobicContact CG1-CD1 4.2Å; V351-Y395 HydrophobicContact CG1-CG 4.4Å; L352-Y395 CarbonylContact O-C 3.49Å; L352-Y395 VanDerWaalsContact O-CA 3.23Å; L352-Y395 WeakPolarHBondContact O-CA 3.19Å; D353-Y395 HydrophobicContact CB-CD1 4.18Å; D353-Y395 HydrophobicContact CB-CE1 4Å; L365-Y395 HydrophobicContact CD2-CD1 4.05Å; L365-Y395 HydrophobicContact CD2-CE1 3.66Å; L389-Y395 HydrophobicContact CB-CD2 4.4Å; L389-Y395 HydrophobicContact CB-CE2 3.76Å; L389-Y395 HydrophobicContact CD1-CD2 4.42Å; L389-Y395 HydrophobicContact CD2-CD1 4.26Å; L389-Y395 HydrophobicContact CD2-CD2 4.26Å; L389-Y395 HydrophobicContact CD2-CE1 4.12Å; L389-Y395 HydrophobicContact CD2-CE2 4.08Å; L389-Y395 HydrophobicContact CD2-CG 4.34Å; L389-Y395 HydrophobicContact CG-CE2 4.36Å; K390-Y395 PolarHBondContact N-OH 3.34Å; Q393-Y395 HydrophobicContact CB-CE2 3.76Å; Q393-Y395 PolarHBondContact OE1-OH 3.06Å; Y395-V417 CarbonylContact O-C 3.32Å; Y395-V417 WeakPolarHBondContact O-CA 3.3Å; Y395-V418 PolarHBondContact N-O 3.05Å; Y395-V418 PolarHBondContact O-N 2.77Å; Y395-I420 HydrophobicContact CD2-CG1 3.7Å; Y395-I420 HydrophobicContact CE2-CB 4.46Å; Y395-I420 HydrophobicContact CE2-CG1 3.73Å
396	E	84	Confident	83.1	Confident	44 Å²	44	48.7 Å²	48.7	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.6	164.3	173.9	-165.7	151.3	0	0	107.5	L352 L354	L352-E396 HydrophobicContact CB-CB 4.09Å; L352-E396 HydrophobicContact CD1-CG 4.4Å; L352-E396 PolarHBondContact N-O 2.94Å; L352-E396 PolarHBondContact O-N 3.35Å; L354-E396 HydrophobicContact CD1-CB 4.08Å; L354-E396 HydrophobicContact CD2-CB 3.95Å; L354-E396 HydrophobicContact CG-CB 4.02Å
397	I	85.4	Confident	82.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	176.4	-50.1	178.3	0	0	0	107.4	F322 A331 V333 V349 H350 I386 E415 A416 V418	F322-I397 HydrophobicContact CD1-CB 4.03Å; F322-I397 HydrophobicContact CD1-CD1 4.37Å; F322-I397 HydrophobicContact CD1-CG2 4.05Å; F322-I397 HydrophobicContact CE1-CB 3.89Å; F322-I397 HydrophobicContact CE1-CG2 3.72Å; A331-I397 HydrophobicContact CB-CD1 4.42Å; V333-I397 HydrophobicContact CG2-CD1 4.27Å; V333-I397 HydrophobicContact CG2-CG2 4.01Å; V349-I397 HydrophobicContact CG1-CG2 3.98Å; H350-I397 WeakPolarHBondContact O-CA 3.16Å; I386-I397 HydrophobicContact CD1-CD1 3.78Å; I386-I397 HydrophobicContact CD1-CG1 4.47Å; I386-I397 HydrophobicContact CD1-CG2 4.22Å; I397-E415 WeakPolarHBondContact O-CA 3.49Å; I397-A416 PolarHBondContact N-O 3.48Å; I397-A416 PolarHBondContact O-N 2.84Å; I397-V418 HydrophobicContact CD1-CB 4.08Å; I397-V418 HydrophobicContact CD1-CG2 3.75Å; I397-V418 HydrophobicContact CG1-CG2 4.34Å
398	S	87.4	Confident	82.8	Confident	9 Å²	9	48 Å²	48	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.7	175.5	60.6	0	0	0	0	111.8	H350 F410 C414	H350-S398 PolarHBondContact N-O 3.2Å; H350-S398 PolarHBondContact O-N 3.23Å; S398-F410 WeakPolarHBondContact OG-CE1 3.01Å; S398-C414 VanDerWaalsContact CA-O 3.29Å; S398-C414 WeakPolarHBondContact CA-O 3.31Å
399	I	87.3	Confident	82.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.5	178.6	-54.9	150.3	0	0	0	109.1	P317 C320 F322 V333 W335 F347 E348 V349 C414	P317-I399 HydrophobicContact CG-CB 4.5Å; P317-I399 HydrophobicContact CG-CG2 3.84Å; C320-I399 HydrophobicContact CB-CD1 3.95Å; C320-I399 WeakPolarHBondContact SG-CD1 3.2Å; F322-I399 HydrophobicContact CE1-CD1 4.35Å; F322-I399 HydrophobicContact CZ-CD1 4.2Å; V333-I399 HydrophobicContact CG1-CD1 3.68Å; V333-I399 HydrophobicContact CG1-CG1 4.19Å; W335-I399 HydrophobicContact CB-CD1 3.93Å; W335-I399 HydrophobicContact CD2-CD1 3.81Å; W335-I399 HydrophobicContact CD2-CG1 4.41Å; W335-I399 HydrophobicContact CD2-CG2 4.05Å; W335-I399 HydrophobicContact CE3-CD1 3.66Å; W335-I399 HydrophobicContact CE3-CG1 4.26Å; W335-I399 HydrophobicContact CG-CD1 3.98Å; W335-I399 HydrophobicContact CG-CG2 4.32Å; W335-I399 HydrophobicContact CZ2-CG2 4.22Å; W335-I399 HydrophobicContact CZ3-CD1 4.4Å; F347-I399 HydrophobicContact CD1-CG2 4.46Å; E348-I399 WeakPolarHBondContact O-CA 3.42Å; V349-I399 HydrophobicContact CG2-CG1 4.42Å; I399-C414 HydrophobicContact CB-CB 4.33Å; I399-C414 HydrophobicContact CD1-CB 4.32Å; I399-C414 PolarHBondContact N-O 2.98Å; I399-C414 VanDerWaalsContact N-O 3.16Å
400	A	87.9	Confident	82.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.1	171.5	0	0	0	0	0	111.6	F347 E348 L408 Y409 F410	F347-A400 CarbonylContact C-O 3.57Å; F347-A400 VanDerWaalsContact CA-O 3.26Å; F347-A400 WeakPolarHBondContact CA-O 3.07Å; F347-A400 WeakPolarHBondContact CD1-O 3.19Å; E348-A400 PolarHBondContact N-O 2.91Å; E348-A400 PolarHBondContact O-N 3.17Å; A400-L408 HydrophobicContact CB-CB 3.97Å; A400-L408 HydrophobicContact CB-CD2 4.13Å; A400-L408 HydrophobicContact CB-CG 4.47Å; A400-Y409 CarbonylContact C-O 3.37Å; A400-Y409 VanDerWaalsContact CA-O 3.28Å; A400-Y409 WeakPolarHBondContact CA-O 3.44Å; A400-F410 HydrophobicContact CB-CD1 3.83Å; A400-F410 HydrophobicContact CB-CD2 4.11Å; A400-F410 HydrophobicContact CB-CE1 3.69Å; A400-F410 HydrophobicContact CB-CE2 3.96Å; A400-F410 HydrophobicContact CB-CG 4.04Å; A400-F410 HydrophobicContact CB-CZ 3.75Å
401	S	86.4	Confident	81.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.2	159.8	59.1	0	0	0	0	109.5	V314 E315 P316 Y409	V314-S401 WeakPolarHBondContact CG1-OG 3.43Å; E315-S401 PolarHBondContact O-OG 3.17Å; P316-S401 WeakPolarHBondContact CA-OG 3.25Å; S401-Y409 PolarHBondContact N-O 2.89Å; S401-Y409 PolarHBondContact O-N 3.21Å; S401-Y409 PolarHBondContact OG-O 2.75Å
402	A	86.8	Confident	81.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.4	177.9	0	0	0	0	0	111.1	P344 S345 H346 N407 L408	P344-A402 CarbonylContact C-O 3.44Å; P344-A402 WeakPolarHBondContact CA-O 3.25Å; P344-A402 WeakPolarHBondContact CB-O 3.48Å; S345-A402 PolarHBondContact N-O 3.48Å; S345-A402 WeakPolarHBondContact OG-CB 3.11Å; S345-A402 PolarHBondContact OG-O 2.85Å; H346-A402 VanDerWaalsContact CE1-CB 3.48Å; H346-A402 WeakPolarHBondContact CE1-CB 3.06Å; H346-A402 WeakPolarHBondContact NE2-CB 3.05Å; H346-A402 PolarHBondContact O-N 2.95Å; A402-N407 CarbonylContact C-O 3.52Å; A402-N407 WeakPolarHBondContact CA-O 3.35Å; A402-L408 HydrophobicContact CB-CD2 3.86Å
403	D	84.9	Confident	80.8	Confident	20 Å²	20	53 Å²	53	11%	0.107	27%	0.269	C	S	.	.			trans	-91.4	-178.9	168.1	75.4	5.4	0	0	0	113.3	V314 S345 M405 S406 N407 Y409	V314-D403 HydrophobicContact CB-CB 4.35Å; V314-D403 HydrophobicContact CG2-CB 3.54Å; S345-D403 WeakPolarHBondContact CB-O 3.37Å; S345-D403 PolarHBondContact OG-O 3.3Å; D403-M405 PolarHBondContact O-N 3.21Å; D403-M405 VanDerWaalsContact O-N 3.16Å; D403-M405 VanDerWaalsContact OD1-C 3.23Å; D403-M405 VanDerWaalsContact OD1-CA 3.26Å; D403-M405 WeakPolarHBondContact OD1-CA 3.46Å; D403-M405 WeakPolarHBondContact OD1-CB 3.25Å; D403-M405 PolarHBondContact OD1-N 3.2Å; D403-S406 PolarHBondContact O-N 3.17Å; D403-S406 PolarHBondContact OD1-N 3.36Å; D403-N407 PolarHBondContact N-O 2.84Å; D403-N407 WeakPolarHBondContact OD1-CB 3.41Å; D403-N407 PolarHBondContact OD1-N 2.95Å; D403-N407 PolarHBondContact OD1-ND2 2.91Å; D403-N407 PolarHBondContact OD2-ND2 2.99Å; D403-Y409 HydrophobicContact CB-CE2 4.02Å
404	E	83.4	Confident	80.5	Confident	173 Å²	173	51.8 Å²	51.8	81%	0.808	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.8	176.8	-63	177.8	169.7	0	0	113.6
405	M	84.9	Confident	80.3	Confident	151 Å²	151	55.7 Å²	55.7	74%	0.744	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	8.9	177.5	-63.7	173.9	56.8	0	0	112.2	D403 N407	D403-M405 PolarHBondContact O-N 3.21Å; D403-M405 VanDerWaalsContact O-N 3.16Å; D403-M405 VanDerWaalsContact OD1-C 3.23Å; D403-M405 VanDerWaalsContact OD1-CA 3.26Å; D403-M405 WeakPolarHBondContact OD1-CA 3.46Å; D403-M405 WeakPolarHBondContact OD1-CB 3.25Å; D403-M405 PolarHBondContact OD1-N 3.2Å; M405-N407 VanDerWaalsContact C-N 3.25Å; M405-N407 PolarHBondContact O-N 2.85Å
406	S	82	Confident	79.9	Confident	80 Å²	80	56.8 Å²	56.8	56%	0.559	29%	0.289	S	S	*	.			trans	60.1	25.4	-174	-53.6	0	0	0	0	114.7	D403	D403-S406 PolarHBondContact O-N 3.17Å; D403-S406 PolarHBondContact OD1-N 3.36Å
407	N	83.6	Confident	79.6	Confident	75 Å²	75	59.2 Å²	59.2	40%	0.401	31%	0.306	S	S	.	.			trans	-74.8	131.7	167	-56.5	-64.3	0	0	0	109.6	A402 D403 M405 Y409	A402-N407 CarbonylContact C-O 3.52Å; A402-N407 WeakPolarHBondContact CA-O 3.35Å; D403-N407 PolarHBondContact N-O 2.84Å; D403-N407 WeakPolarHBondContact OD1-CB 3.41Å; D403-N407 PolarHBondContact OD1-N 2.95Å; D403-N407 PolarHBondContact OD1-ND2 2.91Å; D403-N407 PolarHBondContact OD2-ND2 2.99Å; M405-N407 VanDerWaalsContact C-N 3.25Å; M405-N407 PolarHBondContact O-N 2.85Å; N407-Y409 HydrophobicContact CB-CE2 3.99Å; N407-Y409 WeakPolarHBondContact O-CD2 3.46Å; N407-Y409 WeakPolarHBondContact O-CE2 3.48Å
408	L	84.3	Confident	78.9	Confident	60 Å²	60	59.8 Å²	59.8	31%	0.314	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.6	-177.3	-60.4	178.3	0	0	0	112.2	E348 A400 A402 F410	E348-L408 HydrophobicContact CB-CD2 4.42Å; E348-L408 VanDerWaalsContact CD-CD2 3.5Å; E348-L408 HydrophobicContact CG-CD2 4.05Å; E348-L408 WeakPolarHBondContact OE2-CD1 3.1Å; A400-L408 HydrophobicContact CB-CB 3.97Å; A400-L408 HydrophobicContact CB-CD2 4.13Å; A400-L408 HydrophobicContact CB-CG 4.47Å; A402-L408 HydrophobicContact CB-CD2 3.86Å; L408-F410 HydrophobicContact CB-CD2 4.36Å; L408-F410 HydrophobicContact CB-CE2 3.72Å; L408-F410 HydrophobicContact CB-CZ 4.36Å; L408-F410 HydrophobicContact CD1-CE2 4.27Å; L408-F410 HydrophobicContact CD1-CZ 4.23Å
409	Y	82.2	Confident	78.1	Confident	72 Å²	72	62.2 Å²	62.2	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.1	176.4	-61.4	-90.9	0	0	0	109.5	V314 P316 A400 S401 D403 N407	V314-Y409 HydrophobicContact CB-CD2 3.98Å; V314-Y409 HydrophobicContact CB-CE2 4.11Å; V314-Y409 HydrophobicContact CG1-CD2 4.29Å; P316-Y409 WeakPolarHBondContact CB-O 3.49Å; A400-Y409 CarbonylContact C-O 3.37Å; A400-Y409 VanDerWaalsContact CA-O 3.28Å; A400-Y409 WeakPolarHBondContact CA-O 3.44Å; S401-Y409 PolarHBondContact N-O 2.89Å; S401-Y409 PolarHBondContact O-N 3.21Å; S401-Y409 PolarHBondContact OG-O 2.75Å; D403-Y409 HydrophobicContact CB-CE2 4.02Å; N407-Y409 HydrophobicContact CB-CE2 3.99Å; N407-Y409 WeakPolarHBondContact O-CD2 3.46Å; N407-Y409 WeakPolarHBondContact O-CE2 3.48Å
410	F	78.5	Confident	77.4	Confident	99 Å²	99	62.2 Å²	62.2	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.9	179.5	-66.2	-96.7	0	0	0	111	H350 S398 A400 L408	H350-F410 AromaticContact CD2-CE1 3.54Å; H350-F410 AromaticContact CD2-CZ 3.78Å; H350-F410 AromaticContact CE1-CZ 3.92Å; H350-F410 AromaticContact NE2-CE1 3.79Å; H350-F410 AromaticContact NE2-CZ 3.53Å; S398-F410 WeakPolarHBondContact OG-CE1 3.01Å; A400-F410 HydrophobicContact CB-CD1 3.83Å; A400-F410 HydrophobicContact CB-CD2 4.11Å; A400-F410 HydrophobicContact CB-CE1 3.69Å; A400-F410 HydrophobicContact CB-CE2 3.96Å; A400-F410 HydrophobicContact CB-CG 4.04Å; A400-F410 HydrophobicContact CB-CZ 3.75Å; L408-F410 HydrophobicContact CB-CD2 4.36Å; L408-F410 HydrophobicContact CB-CE2 3.72Å; L408-F410 HydrophobicContact CB-CZ 4.36Å; L408-F410 HydrophobicContact CD1-CE2 4.27Å; L408-F410 HydrophobicContact CD1-CZ 4.23Å
411	S	68.2	Low	76.2	Confident	20 Å²	20	62.6 Å²	62.6	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.2	167.9	177.3	0	0	0	0	110.9	P317 S413 C414	P317-S411 WeakPolarHBondContact O-CB 3.49Å; P317-S411 PolarHBondContact O-OG 2.69Å; S411-S413 PolarHBondContact O-N 2.92Å; S411-S413 PolarHBondContact OG-N 2.68Å; S411-S413 VanDerWaalsContact OG-N 3.07Å; S411-S413 PolarHBondContact OG-OG 2.8Å; S411-C414 CarbonylContact O-C 3.49Å; S411-C414 WeakPolarHBondContact O-CA 3.37Å; S411-C414 WeakPolarHBondContact O-CB 3.25Å; S411-C414 PolarHBondContact O-N 2.85Å
412	K	63.5	Low	75	Confident	183 Å²	183	63.9 Å²	63.9	80%	0.796	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	-21.2	169.6	-69	-170.5	178	-175.9	0	113.3	C414	K412-C414 PolarHBondContact O-N 3.36Å
413	S	62.7	Low	73.9	Confident	64 Å²	64	64.1 Å²	64.1	45%	0.448	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-5.4	173	66.8	0	0	0	0	113.1	S318 S411	S318-S413 PolarHBondContact O-OG 3.05Å; S411-S413 PolarHBondContact O-N 2.92Å; S411-S413 PolarHBondContact OG-N 2.68Å; S411-S413 VanDerWaalsContact OG-N 3.07Å; S411-S413 PolarHBondContact OG-OG 2.8Å
414	C	69.6	Low	73.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	29.5	-173.4	-65.5	0	0	0	0	112.5	P317 C320 S398 I399 S411 K412	P317-C414 PolarHBondContact O-SG 2.03Å; C320-C414 HydrophobicContact CB-CB 3.69Å; C320-C414 WeakPolarHBondContact CB-SG 3.21Å; C320-C414 WeakPolarHBondContact SG-CB 3.34Å; C320-C414 CovalentContact SG-SG 2.02Å; C320-C414 PolarHBondContact SG-SG 3.22Å; S398-C414 VanDerWaalsContact CA-O 3.29Å; S398-C414 WeakPolarHBondContact CA-O 3.31Å; I399-C414 HydrophobicContact CB-CB 4.33Å; I399-C414 HydrophobicContact CD1-CB 4.32Å; I399-C414 PolarHBondContact N-O 2.98Å; I399-C414 VanDerWaalsContact N-O 3.16Å; S411-C414 CarbonylContact O-C 3.49Å; S411-C414 WeakPolarHBondContact O-CA 3.37Å; S411-C414 WeakPolarHBondContact O-CB 3.25Å; S411-C414 PolarHBondContact O-N 2.85Å; K412-C414 PolarHBondContact O-N 3.36Å
415	E	72.6	Confident	72.6	Confident	114 Å²	114	59.5 Å²	59.5	53%	0.533	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	172.5	-173.3	-173.1	146.8	0	0	107.3	I397	I397-E415 WeakPolarHBondContact O-CA 3.49Å
416	A	72.9	Confident	72.3	Confident	26 Å²	26	55 Å²	55	22%	0.215	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.9	-178.1	0	0	0	0	0	112.7	F322 I397	F322-A416 HydrophobicContact CB-CB 4.43Å; F322-A416 HydrophobicContact CD1-CB 4.16Å; F322-A416 HydrophobicContact CD2-CB 3.39Å; F322-A416 HydrophobicContact CE1-CB 4.26Å; F322-A416 HydrophobicContact CE2-CB 3.51Å; F322-A416 HydrophobicContact CG-CB 3.74Å; F322-A416 HydrophobicContact CZ-CB 3.96Å; I397-A416 PolarHBondContact N-O 3.48Å; I397-A416 PolarHBondContact O-N 2.84Å
417	V	76.6	Confident	72.3	Confident	96 Å²	96	54 Å²	54	58%	0.582	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	170.6	-177.7	0	0	0	0	109.8	L354 P394 Y395	L354-V417 HydrophobicContact CD1-CB 4.46Å; L354-V417 HydrophobicContact CD1-CG1 3.73Å; L354-V417 HydrophobicContact CD1-CG2 3.89Å; P394-V417 HydrophobicContact CB-CG1 4.04Å; Y395-V417 CarbonylContact O-C 3.32Å; Y395-V417 WeakPolarHBondContact O-CA 3.3Å
418	V	70.7	Confident	72.5	Confident	13 Å²	13	51.9 Å²	51.9	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.3	-177.4	-178.2	0	0	0	0	110.1	F322 A324 Y395 I397 I420	F322-V418 HydrophobicContact CB-CG2 3.89Å; A324-V418 HydrophobicContact CB-CG1 3.87Å; Y395-V418 PolarHBondContact N-O 3.05Å; Y395-V418 PolarHBondContact O-N 2.77Å; I397-V418 HydrophobicContact CD1-CB 4.08Å; I397-V418 HydrophobicContact CD1-CG2 3.75Å; I397-V418 HydrophobicContact CG1-CG2 4.34Å; V418-I420 HydrophobicContact CG1-CD1 3.86Å
419	I	71	Confident	72.6	Confident	60 Å²	60	58.4 Å²	58.4	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.5	173.9	-56.6	171	0	0	0	109.4	Q393 P394 A422 N460	Q393-I419 WeakPolarHBondContact O-CA 3.38Å; P394-I419 HydrophobicContact CB-CG1 4.08Å; I419-A422 HydrophobicContact CB-CB 4.29Å; I419-A422 HydrophobicContact CG2-CB 4.49Å; I419-A422 VanDerWaalsContact O-CB 3.28Å; I419-A422 WeakPolarHBondContact O-CB 3.45Å; I419-A422 PolarHBondContact O-N 2.94Å; I419-N460 HydrophobicContact CG2-CB 4.26Å; I419-N460 WeakPolarHBondContact CG2-O 3.29Å
420	I	73.5	Confident	72.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	135.4	-171.3	-59.8	-64.2	0	0	0	111.6	A324 A331 L389 I391 G392 Q393 Y395 V418 A422	A324-I420 HydrophobicContact CB-CD1 4.13Å; A331-I420 HydrophobicContact CB-CD1 3.77Å; L389-I420 HydrophobicContact CB-CB 4.4Å; L389-I420 HydrophobicContact CB-CD1 4.33Å; L389-I420 HydrophobicContact CB-CG1 3.74Å; L389-I420 HydrophobicContact CB-CG2 4.22Å; L389-I420 HydrophobicContact CD1-CD1 3.52Å; L389-I420 HydrophobicContact CD1-CG1 3.77Å; L389-I420 HydrophobicContact CG-CG1 4.41Å; I391-I420 CarbonylContact C-O 3.53Å; I391-I420 WeakPolarHBondContact CA-O 3.47Å; I391-I420 HydrophobicContact CG1-CG2 4.36Å; G392-I420 PolarHBondContact N-O 3.41Å; Q393-I420 PolarHBondContact O-N 3.23Å; Y395-I420 HydrophobicContact CD2-CG1 3.7Å; Y395-I420 HydrophobicContact CE2-CB 4.46Å; Y395-I420 HydrophobicContact CE2-CG1 3.73Å; V418-I420 HydrophobicContact CG1-CD1 3.86Å; I420-A422 PolarHBondContact O-N 3.11Å
421	G	62.8	Low	73.6	Confident	8 Å²	8	55.4 Å²	55.4	8%	0.082	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	21.4	-170.3	0	0	0	0	0	113.7	G423 N460	G421-G423 PolarHBondContact O-N 3.46Å; G421-N460 PolarHBondContact O-ND2 3.41Å
422	A	61.6	Low	74.8	Confident	27 Å²	27	61.8 Å²	61.8	22%	0.223	33%	0.328	C	S	.	.			trans	-55.7	133.3	155.2	0	0	0	0	0	108.8	I419 I420 R459	I419-A422 HydrophobicContact CB-CB 4.29Å; I419-A422 HydrophobicContact CG2-CB 4.49Å; I419-A422 VanDerWaalsContact O-CB 3.28Å; I419-A422 WeakPolarHBondContact O-CB 3.45Å; I419-A422 PolarHBondContact O-N 2.94Å; I420-A422 PolarHBondContact O-N 3.11Å; A422-R459 WeakPolarHBondContact CA-O 3.45Å
423	G	63.3	Low	76	Confident	6 Å²	6	56.8 Å²	56.8	6%	0.062	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-126.8	115.2	176.3	0	0	0	0	0	108.3	G421 P458 R459	G421-G423 PolarHBondContact O-N 3.46Å; G423-P458 CarbonylContact O-C 3.2Å; G423-P458 VanDerWaalsContact O-CA 3.25Å; G423-P458 WeakPolarHBondContact O-CA 3.44Å; G423-R459 PolarHBondContact N-O 3.16Å; G423-R459 PolarHBondContact O-N 3.44Å
424	D	68	Low	77.5	Confident	86 Å²	86	56.2 Å²	56.2	46%	0.46	30%	0.3	S	S	.	.			trans	-65.9	141.2	175.5	-75.3	-8	0	0	0	110.4	R463	D424-R463 HydrophobicContact CB-CB 4.5Å; D424-R463 WeakPolarHBondContact OD1-CB 2.96Å; D424-R463 PolarHBondContact OD1-N 2.92Å
425	G	73.2	Confident	78.5	Confident	10 Å²	10	63.5 Å²	63.5	10%	0.103	34%	0.339	C	S	.	.			trans	-66.8	142.2	174.7	0	0	0	0	0	111.4	P456 R463 C465	G425-P456 WeakPolarHBondContact CA-O 2.99Å; G425-R463 PolarHBondContact N-O 3.42Å; G425-C465 PolarHBondContact O-SG 2.99Å; G425-C465 VanDerWaalsContact O-SG 3.39Å
426	S	77	Confident	79.4	Confident	56 Å²	56	59.7 Å²	59.7	39%	0.392	33%	0.325	S	S	.	.			trans	-125.6	145.2	170.3	-64.2	0	0	0	0	112.2	N454 S455 P456 C465	S426-N454 PolarHBondContact O-N 2.82Å; S426-S455 WeakPolarHBondContact CB-O 3.08Å; S426-S455 PolarHBondContact O-N 3.13Å; S426-P456 PolarHBondContact N-O 3.09Å; S426-C465 VanDerWaalsContact CA-SG 3.53Å; S426-C465 PolarHBondContact N-SG 3.24Å; S426-C465 VanDerWaalsContact N-SG 3.36Å
427	W	82.3	Confident	80.4	Confident	60 Å²	60	63.9 Å²	63.9	23%	0.227	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-64.6	136.1	179.9	-71.8	116.8	0	0	0	111.7	R451 K452 C453 C465 P466 G467 E469	W427-R451 VanDerWaalsContact CD1-NH1 3.32Å; W427-R451 VanDerWaalsContact CD2-CD 3.49Å; W427-R451 HydrophobicContact CD2-CG 4.05Å; W427-R451 VanDerWaalsContact CE2-CZ 3.41Å; W427-R451 HydrophobicContact CE3-CB 4.14Å; W427-R451 VanDerWaalsContact CE3-CD 3.49Å; W427-R451 HydrophobicContact CE3-CG 3.48Å; W427-R451 VanDerWaalsContact CE3-CG 3.48Å; W427-R451 HydrophobicContact CZ3-CG 3.8Å; W427-K452 CarbonylContact C-O 3.55Å; W427-C453 HydrophobicContact CE3-CB 4.4Å; W427-C453 HydrophobicContact CZ3-CB 4.24Å; W427-C465 HydrophobicContact CD2-CB 3.64Å; W427-C465 HydrophobicContact CE3-CB 4.15Å; W427-C465 HydrophobicContact CG-CB 4.09Å; W427-C465 HydrophobicContact CH2-CB 4.07Å; W427-C465 HydrophobicContact CZ2-CB 3.54Å; W427-C465 WeakPolarHBondContact CZ2-O 3.39Å; W427-C465 HydrophobicContact CZ3-CB 4.36Å; W427-P466 PolarHBondContact NE1-O 2.86Å; W427-G467 VanDerWaalsContact CZ2-O 3.3Å; W427-G467 WeakPolarHBondContact CZ2-O 3.05Å; W427-E469 HydrophobicContact CH2-CB 3.85Å; W427-E469 HydrophobicContact CZ3-CB 3.82Å
428	S	87.3	Confident	81	Confident	29 Å²	29	59.8 Å²	59.8	20%	0.203	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62	166.3	161.5	77	0	0	0	0	110.7	K452 N454	S428-K452 WeakPolarHBondContact CB-O 2.99Å; S428-K452 PolarHBondContact N-O 2.89Å; S428-K452 PolarHBondContact OG-N 3.4Å; S428-N454 WeakPolarHBondContact CB-OD1 3.45Å
429	K	87.8	Confident	81.9	Confident	198 Å²	198	67.3 Å²	67.3	86%	0.861	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-54	146.6	160.4	-61.2	-174.4	-179.8	-177	0	109.8
430	W	89	Confident	82.7	Confident	83 Å²	83	65.8 Å²	65.8	31%	0.314	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.3	169.8	-74	106.2	0	0	0	110.9	R449 Y450 R451 E469 M471	W430-R449 HydrophobicContact CD2-CG 4.2Å; W430-R449 HydrophobicContact CE3-CB 4.22Å; W430-R449 HydrophobicContact CE3-CG 3.64Å; W430-R449 HydrophobicContact CZ3-CG 4.04Å; W430-R449 WeakPolarHBondContact CZ3-O 3.32Å; W430-Y450 CarbonylContact C-O 3.44Å; W430-Y450 WeakPolarHBondContact CA-O 3.49Å; W430-Y450 VanDerWaalsContact CE3-C 3.44Å; W430-R451 HydrophobicContact CD2-CB 4.11Å; W430-R451 HydrophobicContact CD2-CG 4.12Å; W430-R451 HydrophobicContact CE3-CB 3.88Å; W430-R451 HydrophobicContact CE3-CG 3.8Å; W430-R451 HydrophobicContact CH2-CG 3.82Å; W430-R451 HydrophobicContact CZ2-CG 4.15Å; W430-R451 HydrophobicContact CZ3-CB 4.22Å; W430-R451 HydrophobicContact CZ3-CG 3.64Å; W430-E469 WeakPolarHBondContact CZ3-O 3.5Å; W430-M471 HydrophobicContact CH2-CB 3.7Å; W430-M471 HydrophobicContact CZ2-CB 4.34Å; W430-M471 HydrophobicContact CZ3-CB 3.93Å
431	S	92.4	Very high	83.3	Confident	25 Å²	25	67.5 Å²	67.5	18%	0.175	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-64.4	165.1	164.9	75.9	0	0	0	0	110.8	R449 Y450	S431-R449 WeakPolarHBondContact OG-CA 3.24Å; S431-Y450 VanDerWaalsContact CB-CE1 3.47Å; S431-Y450 WeakPolarHBondContact CB-O 3.42Å; S431-Y450 PolarHBondContact N-O 3.42Å; S431-Y450 WeakPolarHBondContact OG-CD1 3.44Å; S431-Y450 PolarHBondContact OG-N 2.91Å
432	N	92.3	Very high	84.3	Confident	153 Å²	153	71.1 Å²	71.1	82%	0.818	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58	152.7	160.5	-65.6	-16.8	0	0	0	110.1
433	W	90.5	Very high	85.6	Confident	79 Å²	79	76.4 Å²	76.4	30%	0.299	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-64.1	140.3	169.2	-71.2	106.1	0	0	0	110.5	R447 S448 R449 M471 F473	W433-R447 HydrophobicContact CD2-CG 4.36Å; W433-R447 HydrophobicContact CE3-CB 4.23Å; W433-R447 HydrophobicContact CE3-CG 3.77Å; W433-R447 HydrophobicContact CZ3-CG 4.17Å; W433-S448 CarbonylContact C-O 3.59Å; W433-S448 WeakPolarHBondContact CA-O 3.05Å; W433-R449 HydrophobicContact CD2-CB 4.18Å; W433-R449 HydrophobicContact CD2-CG 4.13Å; W433-R449 HydrophobicContact CE3-CB 3.96Å; W433-R449 HydrophobicContact CE3-CG 3.88Å; W433-R449 HydrophobicContact CH2-CG 3.85Å; W433-R449 HydrophobicContact CZ2-CG 4.1Å; W433-R449 HydrophobicContact CZ3-CB 4.28Å; W433-R449 HydrophobicContact CZ3-CG 3.73Å; W433-M471 HydrophobicContact CH2-CG 4.11Å; W433-M471 HydrophobicContact CH2-SD 3.83Å; W433-M471 HydrophobicContact CZ2-SD 4.26Å; W433-F473 HydrophobicContact CH2-CB 3.53Å; W433-F473 HydrophobicContact CH2-CG 4.37Å; W433-F473 HydrophobicContact CZ2-CB 4.35Å; W433-F473 HydrophobicContact CZ3-CB 3.69Å
434	S	93.1	Very high	86.7	Confident	52 Å²	52	80.3 Å²	80.3	36%	0.364	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-69.4	160.2	166.4	60.4	0	0	0	0	111.3	R447 S448	S434-R447 WeakPolarHBondContact O-CB 3.37Å; S434-S448 PolarHBondContact N-O 2.75Å; S434-S448 PolarHBondContact OG-N 2.91Å; S434-S448 PolarHBondContact OG-O 3.44Å; S434-S448 PolarHBondContact OG-OG 3.35Å
435	N	91.2	Very high	87.8	Confident	152 Å²	152	76.4 Å²	76.4	81%	0.813	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-62.5	149	172.8	-68.9	-23.1	0	0	0	110.4	N437	N435-N437 PolarHBondContact O-N 3.05Å
436	C	91.7	Very high	88.5	Confident	35 Å²	35	78.6 Å²	78.6	24%	0.236	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-59.7	129.1	175	-160.1	0	0	0	0	110.2	S438 C475	C436-S438 PolarHBondContact O-N 2.86Å; C436-C475 WeakPolarHBondContact CA-SG 3.13Å; C436-C475 HydrophobicContact CB-CB 3.94Å; C436-C475 WeakPolarHBondContact CB-SG 3Å; C436-C475 WeakPolarHBondContact SG-CB 3.45Å; C436-C475 PolarHBondContact SG-O 3.13Å; C436-C475 CovalentContact SG-SG 2.04Å; C436-C475 PolarHBondContact SG-SG 2.79Å
437	N	92.5	Very high	89.1	Confident	113 Å²	113	80 Å²	80	60%	0.604	41%	0.408	S	S	*	.	S	Bend	trans	-67.4	-21.5	179.5	66.8	8.5	0	0	0	113.1	N435 G445 T446	N435-N437 PolarHBondContact O-N 3.05Å; N437-G445 WeakPolarHBondContact OD1-CA 3.48Å; N437-T446 PolarHBondContact N-O 2.82Å; N437-T446 VanDerWaalsContact N-O 3.13Å; N437-T446 PolarHBondContact OD1-N 2.95Å
438	S	89.9	Confident	89.5	Confident	11 Å²	11	79 Å²	79	8%	0.077	41%	0.411	C	S	.	.			trans	-83.4	128.8	170.5	-176	0	0	0	0	110.1	C436 C440 K443 G477	C436-S438 PolarHBondContact O-N 2.86Å; S438-C440 PolarHBondContact OG-N 3.32Å; S438-C440 PolarHBondContact OG-O 3.35Å; S438-C440 VanDerWaalsContact OG-O 3.1Å; S438-K443 VanDerWaalsContact CB-O 3.24Å; S438-K443 WeakPolarHBondContact CB-O 3.43Å; S438-K443 PolarHBondContact OG-O 2.9Å; S438-G477 WeakPolarHBondContact O-CA 3.05Å
439	K	89.9	Confident	89.8	Confident	170 Å²	170	80.4 Å²	80.4	74%	0.739	41%	0.412	S	S	*	.			trans	-80.1	-22.2	170.7	-65.1	-174.1	179.1	-178.1	0	112.4	T478 N479	K439-T478 PolarHBondContact O-N 3.16Å; K439-N479 WeakPolarHBondContact O-CB 3.22Å; K439-N479 PolarHBondContact O-N 3.01Å
440	C	88.3	Confident	90	Very high	29 Å²	29	77.8 Å²	77.8	20%	0.196	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-102.9	134.3	-166.1	-61.2	0	0	0	0	111.4	S438 S442 K443 G477 N479 C482	S438-C440 PolarHBondContact OG-N 3.32Å; S438-C440 PolarHBondContact OG-O 3.35Å; S438-C440 VanDerWaalsContact OG-O 3.1Å; C440-S442 VanDerWaalsContact C-N 3.25Å; C440-S442 PolarHBondContact O-N 3.05Å; C440-K443 HydrophobicContact CB-CB 4.16Å; C440-K443 PolarHBondContact O-N 2.68Å; C440-K443 VanDerWaalsContact O-O 3.11Å; C440-G477 PolarHBondContact O-N 3.27Å; C440-G477 VanDerWaalsContact O-N 3.1Å; C440-N479 WeakPolarHBondContact CA-O 3.46Å; C440-C482 VanDerWaalsContact CA-SG 3.54Å; C440-C482 HydrophobicContact CB-CB 3.21Å; C440-C482 WeakPolarHBondContact CB-SG 3.47Å; C440-C482 WeakPolarHBondContact SG-CB 3.14Å; C440-C482 CovalentContact SG-SG 2.04Å; C440-C482 PolarHBondContact SG-SG 2.04Å
441	A	85.8	Confident	90.1	Very high	35 Å²	35	76 Å²	76	29%	0.289	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.2	178	0	0	0	0	0	112.2	K443 F476 G477 N479 I480	A441-K443 VanDerWaalsContact C-N 3.3Å; A441-K443 PolarHBondContact O-N 3.21Å; A441-F476 VanDerWaalsContact O-CD1 3.26Å; A441-F476 WeakPolarHBondContact O-CD1 2.91Å; A441-G477 VanDerWaalsContact CA-O 3.27Å; A441-G477 WeakPolarHBondContact CA-O 3.48Å; A441-G477 WeakPolarHBondContact CB-O 3.43Å; A441-N479 PolarHBondContact N-O 3.36Å; A441-I480 HydrophobicContact CB-CG1 4.16Å
442	S	83.9	Confident	90.1	Very high	85 Å²	85	80.7 Å²	80.7	59%	0.594	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.8	176.7	48.5	0	0	0	0	114.7	C440 C482	C440-S442 VanDerWaalsContact C-N 3.25Å; C440-S442 PolarHBondContact O-N 3.05Å; S442-C482 PolarHBondContact OG-OXT 2.99Å
443	K	88	Confident	89.7	Confident	138 Å²	138	75.2 Å²	75.2	60%	0.6	38%	0.381	S	S	*	.	S	Bend	trans	-120.2	123.2	-175.8	-178.3	174.7	-178.8	176.4	0	111.7	S438 C440 A441 G445	S438-K443 VanDerWaalsContact CB-O 3.24Å; S438-K443 WeakPolarHBondContact CB-O 3.43Å; S438-K443 PolarHBondContact OG-O 2.9Å; C440-K443 HydrophobicContact CB-CB 4.16Å; C440-K443 PolarHBondContact O-N 2.68Å; C440-K443 VanDerWaalsContact O-O 3.11Å; A441-K443 VanDerWaalsContact C-N 3.3Å; A441-K443 PolarHBondContact O-N 3.21Å; K443-G445 PolarHBondContact O-N 2.76Å
444	L	87.5	Confident	89.6	Confident	87 Å²	87	75.5 Å²	75.5	46%	0.455	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.4	171.9	-162.5	71.5	0	0	0	110.5	E474 F476	L444-E474 HydrophobicContact CD1-CB 4.1Å; L444-E474 HydrophobicContact CD2-CG 4.49Å; L444-F476 HydrophobicContact CB-CE1 4.42Å; L444-F476 HydrophobicContact CD1-CD1 4.42Å; L444-F476 HydrophobicContact CD1-CE1 3.69Å; L444-F476 HydrophobicContact CD1-CE2 4.32Å; L444-F476 HydrophobicContact CD1-CZ 3.63Å
445	G	90	Very high	89	Confident	4 Å²	4	76.3 Å²	76.3	4%	0.041	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	-174.1	174	0	0	0	0	0	111.6	N437 K443 E474 C475	N437-G445 WeakPolarHBondContact OD1-CA 3.48Å; K443-G445 PolarHBondContact O-N 2.76Å; G445-E474 WeakPolarHBondContact O-CA 3.24Å; G445-C475 CarbonylContact C-O 3.47Å; G445-C475 VanDerWaalsContact C-SG 3.59Å; G445-C475 WeakPolarHBondContact CA-O 3.12Å; G445-C475 PolarHBondContact N-O 2.81Å; G445-C475 PolarHBondContact O-N 3.31Å
446	T	89.1	Confident	88.5	Confident	56 Å²	56	71.7 Å²	71.7	34%	0.344	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.9	-178.6	-40.3	0	0	0	0	109.6	N437 N472 F473 C475	N437-T446 PolarHBondContact N-O 2.82Å; N437-T446 VanDerWaalsContact N-O 3.13Å; N437-T446 PolarHBondContact OD1-N 2.95Å; T446-N472 HydrophobicContact CG2-CB 3.89Å; T446-F473 WeakPolarHBondContact CA-O 3.48Å; T446-C475 PolarHBondContact N-SG 3.3Å
447	R	89.9	Confident	88.1	Confident	85 Å²	85	72 Å²	72	32%	0.321	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.5	165	58.8	175.3	-176.9	-169.8	-2.5	109.1	W433 S434 N472 F473 C475	W433-R447 HydrophobicContact CD2-CG 4.36Å; W433-R447 HydrophobicContact CE3-CB 4.23Å; W433-R447 HydrophobicContact CE3-CG 3.77Å; W433-R447 HydrophobicContact CZ3-CG 4.17Å; S434-R447 WeakPolarHBondContact O-CB 3.37Å; R447-N472 WeakPolarHBondContact O-CA 3.33Å; R447-F473 HydrophobicContact CG-CB 4.2Å; R447-F473 WeakPolarHBondContact CG-O 3.27Å; R447-F473 PolarHBondContact N-O 3.3Å; R447-F473 VanDerWaalsContact NH2-CD1 3.35Å; R447-F473 PolarHBondContact O-N 3.39Å; R447-C475 HydrophobicContact CG-CB 4.24Å; R447-C475 PolarHBondContact N-SG 3.27Å; R447-C475 VanDerWaalsContact N-SG 3.4Å
448	S	90.7	Very high	87.3	Confident	41 Å²	41	69 Å²	69	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.2	-174	58.1	0	0	0	0	112	W433 S434 M471 N472	W433-S448 CarbonylContact C-O 3.59Å; W433-S448 WeakPolarHBondContact CA-O 3.05Å; S434-S448 PolarHBondContact N-O 2.75Å; S434-S448 PolarHBondContact OG-N 2.91Å; S434-S448 PolarHBondContact OG-O 3.44Å; S434-S448 PolarHBondContact OG-OG 3.35Å; S448-M471 CarbonylContact C-O 3.57Å; S448-M471 VanDerWaalsContact CA-O 3.28Å; S448-M471 WeakPolarHBondContact CA-O 3.49Å; S448-N472 VanDerWaalsContact CB-OD1 3.29Å; S448-N472 WeakPolarHBondContact CB-OD1 3.25Å
449	R	92.5	Very high	86.5	Confident	58 Å²	58	76.9 Å²	76.9	22%	0.219	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.8	169.3	61.4	176.2	-179.6	-178.8	-3.2	110	W430 S431 W433 Q470 M471	W430-R449 HydrophobicContact CD2-CG 4.2Å; W430-R449 HydrophobicContact CE3-CB 4.22Å; W430-R449 HydrophobicContact CE3-CG 3.64Å; W430-R449 HydrophobicContact CZ3-CG 4.04Å; W430-R449 WeakPolarHBondContact CZ3-O 3.32Å; S431-R449 WeakPolarHBondContact OG-CA 3.24Å; W433-R449 HydrophobicContact CD2-CB 4.18Å; W433-R449 HydrophobicContact CD2-CG 4.13Å; W433-R449 HydrophobicContact CE3-CB 3.96Å; W433-R449 HydrophobicContact CE3-CG 3.88Å; W433-R449 HydrophobicContact CH2-CG 3.85Å; W433-R449 HydrophobicContact CZ2-CG 4.1Å; W433-R449 HydrophobicContact CZ3-CB 4.28Å; W433-R449 HydrophobicContact CZ3-CG 3.73Å; R449-Q470 WeakPolarHBondContact O-CA 3.26Å; R449-M471 HydrophobicContact CG-CB 3.98Å; R449-M471 PolarHBondContact N-O 3.43Å; R449-M471 PolarHBondContact NE-SD 2.75Å; R449-M471 PolarHBondContact NH2-SD 3.39Å; R449-M471 PolarHBondContact O-N 3.1Å
450	Y	92.9	Very high	85.3	Confident	143 Å²	143	72.2 Å²	72.2	56%	0.561	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.1	-177.9	65	-93.6	0	0	0	112.4	W430 S431 E469	W430-Y450 CarbonylContact C-O 3.44Å; W430-Y450 WeakPolarHBondContact CA-O 3.49Å; W430-Y450 VanDerWaalsContact CE3-C 3.44Å; S431-Y450 VanDerWaalsContact CB-CE1 3.47Å; S431-Y450 WeakPolarHBondContact CB-O 3.42Å; S431-Y450 PolarHBondContact N-O 3.42Å; S431-Y450 WeakPolarHBondContact OG-CD1 3.44Å; S431-Y450 PolarHBondContact OG-N 2.91Å; Y450-E469 CarbonylContact C-O 3.58Å; Y450-E469 VanDerWaalsContact CA-O 3.24Å; Y450-E469 WeakPolarHBondContact CA-O 3.43Å
451	R	90.9	Very high	84.2	Confident	46 Å²	46	74.2 Å²	74.2	17%	0.174	40%	0.401	C	S	.	.			trans	-142.7	161.8	173.4	55.6	176.1	-179.5	178.7	-0.3	109.2	W427 W430 S468 E469	W427-R451 VanDerWaalsContact CD1-NH1 3.32Å; W427-R451 VanDerWaalsContact CD2-CD 3.49Å; W427-R451 HydrophobicContact CD2-CG 4.05Å; W427-R451 VanDerWaalsContact CE2-CZ 3.41Å; W427-R451 HydrophobicContact CE3-CB 4.14Å; W427-R451 VanDerWaalsContact CE3-CD 3.49Å; W427-R451 HydrophobicContact CE3-CG 3.48Å; W427-R451 VanDerWaalsContact CE3-CG 3.48Å; W427-R451 HydrophobicContact CZ3-CG 3.8Å; W430-R451 HydrophobicContact CD2-CB 4.11Å; W430-R451 HydrophobicContact CD2-CG 4.12Å; W430-R451 HydrophobicContact CE3-CB 3.88Å; W430-R451 HydrophobicContact CE3-CG 3.8Å; W430-R451 HydrophobicContact CH2-CG 3.82Å; W430-R451 HydrophobicContact CZ2-CG 4.15Å; W430-R451 HydrophobicContact CZ3-CB 4.22Å; W430-R451 HydrophobicContact CZ3-CG 3.64Å; R451-S468 VanDerWaalsContact CZ-O 3.29Å; R451-S468 PolarHBondContact NE-O 2.04Å; R451-S468 PolarHBondContact NH2-O 3.5Å; R451-E469 WeakPolarHBondContact CG-O 3.33Å; R451-E469 PolarHBondContact N-O 3.1Å
452	K	91.5	Very high	83.1	Confident	122 Å²	122	73.1 Å²	73.1	53%	0.53	39%	0.393	S	S	.	.			trans	-122.6	145.4	-178.5	-66	-171.7	175.3	-171.9	0	111.5	W427 S428 N454	W427-K452 CarbonylContact C-O 3.55Å; S428-K452 WeakPolarHBondContact CB-O 2.99Å; S428-K452 PolarHBondContact N-O 2.89Å; S428-K452 PolarHBondContact OG-N 3.4Å; K452-N454 VanDerWaalsContact C-N 3.29Å; K452-N454 HydrophobicContact CB-CB 4.46Å; K452-N454 PolarHBondContact O-N 2.86Å
453	C	84.8	Confident	82.2	Confident	39 Å²	39	76.3 Å²	76.3	26%	0.264	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-83.3	70.1	175.1	-170.4	0	0	0	0	111	W427 C465	W427-C453 HydrophobicContact CE3-CB 4.4Å; W427-C453 HydrophobicContact CZ3-CB 4.24Å; C453-C465 WeakPolarHBondContact CA-SG 3.4Å; C453-C465 HydrophobicContact CB-CB 3.74Å; C453-C465 WeakPolarHBondContact CB-SG 3.34Å; C453-C465 WeakPolarHBondContact SG-CB 3.44Å; C453-C465 PolarHBondContact SG-N 3.43Å; C453-C465 CovalentContact SG-SG 2.03Å; C453-C465 PolarHBondContact SG-SG 3.41Å
454	N	88.1	Confident	81.7	Confident	84 Å²	84	74.6 Å²	74.6	45%	0.449	39%	0.393	S	S	.	.			trans	-142.8	9.6	-170.1	75.1	-10.5	0	0	0	115.7	S426 S428 K452 P456 A457	S426-N454 PolarHBondContact O-N 2.82Å; S428-N454 WeakPolarHBondContact CB-OD1 3.45Å; K452-N454 VanDerWaalsContact C-N 3.29Å; K452-N454 HydrophobicContact CB-CB 4.46Å; K452-N454 PolarHBondContact O-N 2.86Å; N454-P456 VanDerWaalsContact C-CA 3.44Å; N454-P456 CarbonylContact C-O 3.13Å; N454-P456 CarbonylContact O-C 3.58Å; N454-P456 WeakPolarHBondContact O-CA 3.44Å; N454-A457 VanDerWaalsContact C-N 3.31Å; N454-A457 PolarHBondContact O-N 3.3Å
455	S	79.9	Confident	81.1	Confident	69 Å²	69	71 Å²	71	48%	0.483	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	53	-171.6	-61.5	0	0	0	0	114	S426	S426-S455 WeakPolarHBondContact CB-O 3.08Å; S426-S455 PolarHBondContact O-N 3.13Å
456	P	81.2	Confident	80.4	Confident	55 Å²	55	74.5 Å²	74.5	36%	0.357	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.7	169.7	9.2	35.4	-37.4	0	0	0	114	G425 S426 N454	G425-P456 WeakPolarHBondContact CA-O 2.99Å; S426-P456 PolarHBondContact N-O 3.09Å; N454-P456 VanDerWaalsContact C-CA 3.44Å; N454-P456 CarbonylContact C-O 3.13Å; N454-P456 CarbonylContact O-C 3.58Å; N454-P456 WeakPolarHBondContact O-CA 3.44Å
457	A	82.2	Confident	80	Confident	42 Å²	42	73 Å²	73	35%	0.347	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-77.2	148.3	168.8	0	0	0	0	0	110.5	N454	N454-A457 VanDerWaalsContact C-N 3.31Å; N454-A457 PolarHBondContact O-N 3.3Å
458	P	75.9	Confident	79.6	Confident	50 Å²	50	71.2 Å²	71.2	33%	0.325	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.2	177.9	25.1	-33	0	0	0	111.8	G423 G462	G423-P458 CarbonylContact O-C 3.2Å; G423-P458 VanDerWaalsContact O-CA 3.25Å; G423-P458 WeakPolarHBondContact O-CA 3.44Å; P458-G462 WeakPolarHBondContact CB-O 3.45Å
459	R	73.1	Confident	79.4	Confident	176 Å²	176	75.4 Å²	75.4	66%	0.664	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-141.9	149.2	179.8	-66	-175.5	179.5	-164.6	-3.1	111.5	A422 G423 G461 G462	A422-R459 WeakPolarHBondContact CA-O 3.45Å; G423-R459 PolarHBondContact N-O 3.16Å; G423-R459 PolarHBondContact O-N 3.44Å; R459-G461 PolarHBondContact O-N 2.82Å; R459-G462 PolarHBondContact O-N 2.85Å
460	N	65.5	Low	79.3	Confident	73 Å²	73	77.6 Å²	77.6	39%	0.39	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.4	174.3	-52.2	-30.5	0	0	0	113.5	I419 G421 G462	I419-N460 HydrophobicContact CG2-CB 4.26Å; I419-N460 WeakPolarHBondContact CG2-O 3.29Å; G421-N460 PolarHBondContact O-ND2 3.41Å; N460-G462 VanDerWaalsContact C-N 3.26Å; N460-G462 PolarHBondContact O-N 2.89Å
461	G	64.2	Low	78.9	Confident	71 Å²	71	71.9 Å²	71.9	73%	0.732	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	4.4	-177.9	0	0	0	0	0	115.5	R459	R459-G461 PolarHBondContact O-N 2.82Å
462	G	63	Low	78.8	Confident	12 Å²	12	74.1 Å²	74.1	12%	0.124	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.1	172.5	0	0	0	0	0	112.8	P458 R459 N460	P458-G462 WeakPolarHBondContact CB-O 3.45Å; R459-G462 PolarHBondContact O-N 2.85Å; N460-G462 VanDerWaalsContact C-N 3.26Å; N460-G462 PolarHBondContact O-N 2.89Å
463	R	65.1	Low	78.6	Confident	151 Å²	151	72.1 Å²	72.1	57%	0.57	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64.6	142.4	-170.2	-63.5	175.4	174.8	175.8	1.1	112.1	D424 G425	D424-R463 HydrophobicContact CB-CB 4.5Å; D424-R463 WeakPolarHBondContact OD1-CB 2.96Å; D424-R463 PolarHBondContact OD1-N 2.92Å; G425-R463 PolarHBondContact N-O 3.42Å
464	V	77.3	Confident	78.8	Confident	102 Å²	102	76.4 Å²	76.4	62%	0.618	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-68.5	153.5	167.7	-65.3	0	0	0	0	110.9	P466	V464-P466 WeakPolarHBondContact O-CD 3.28Å
465	C	74.9	Confident	78.5	Confident	11 Å²	11	73.1 Å²	73.1	7%	0.074	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65.8	123.2	-177.7	-57.3	0	0	0	0	111.2	G425 S426 W427 C453	G425-C465 PolarHBondContact O-SG 2.99Å; G425-C465 VanDerWaalsContact O-SG 3.39Å; S426-C465 VanDerWaalsContact CA-SG 3.53Å; S426-C465 PolarHBondContact N-SG 3.24Å; S426-C465 VanDerWaalsContact N-SG 3.36Å; W427-C465 HydrophobicContact CD2-CB 3.64Å; W427-C465 HydrophobicContact CE3-CB 4.15Å; W427-C465 HydrophobicContact CG-CB 4.09Å; W427-C465 HydrophobicContact CH2-CB 4.07Å; W427-C465 HydrophobicContact CZ2-CB 3.54Å; W427-C465 WeakPolarHBondContact CZ2-O 3.39Å; W427-C465 HydrophobicContact CZ3-CB 4.36Å; C453-C465 WeakPolarHBondContact CA-SG 3.4Å; C453-C465 HydrophobicContact CB-CB 3.74Å; C453-C465 WeakPolarHBondContact CB-SG 3.34Å; C453-C465 WeakPolarHBondContact SG-CB 3.44Å; C453-C465 PolarHBondContact SG-N 3.43Å; C453-C465 CovalentContact SG-SG 2.03Å; C453-C465 PolarHBondContact SG-SG 3.41Å
466	P	75.2	Confident	78.9	Confident	78 Å²	78	76 Å²	76	51%	0.506	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.4	179.7	29.8	-34.6	0	0	0	111.5	W427 V464	W427-P466 PolarHBondContact NE1-O 2.86Å; V464-P466 WeakPolarHBondContact O-CD 3.28Å
467	G	80.2	Confident	79	Confident	26 Å²	26	73.8 Å²	73.8	27%	0.268	40%	0.398	S	S	.	.	S	Bend	trans	108.9	172	-178.5	0	0	0	0	0	113.8	W427	W427-G467 VanDerWaalsContact CZ2-O 3.3Å; W427-G467 WeakPolarHBondContact CZ2-O 3.05Å
468	S	82.3	Confident	79.1	Confident	47 Å²	47	78.4 Å²	78.4	33%	0.329	42%	0.423	S	S	.	.			trans	-75	142.5	176.3	-49.6	0	0	0	0	111.8	R451 Q470	R451-S468 VanDerWaalsContact CZ-O 3.29Å; R451-S468 PolarHBondContact NE-O 2.04Å; R451-S468 PolarHBondContact NH2-O 3.5Å; S468-Q470 VanDerWaalsContact C-N 3.33Å; S468-Q470 WeakPolarHBondContact CB-O 3.45Å
469	E	87	Confident	79.5	Confident	129 Å²	129	79.4 Å²	79.4	60%	0.603	43%	0.425	S	S	*	.	S	Bend	trans	-77.9	-19.3	171.8	61.2	171.1	-166.6	0	0	113.3	W427 W430 Y450 R451	W427-E469 HydrophobicContact CH2-CB 3.85Å; W427-E469 HydrophobicContact CZ3-CB 3.82Å; W430-E469 WeakPolarHBondContact CZ3-O 3.5Å; Y450-E469 CarbonylContact C-O 3.58Å; Y450-E469 VanDerWaalsContact CA-O 3.24Å; Y450-E469 WeakPolarHBondContact CA-O 3.43Å; R451-E469 WeakPolarHBondContact CG-O 3.33Å; R451-E469 PolarHBondContact N-O 3.1Å
470	Q	89.5	Confident	80	Confident	103 Å²	103	77.6 Å²	77.6	48%	0.481	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	177.2	179.7	175.1	-16.2	0	0	110.6	R449 S468 N472	R449-Q470 WeakPolarHBondContact O-CA 3.26Å; S468-Q470 VanDerWaalsContact C-N 3.33Å; S468-Q470 WeakPolarHBondContact CB-O 3.45Å; Q470-N472 PolarHBondContact NE2-OD1 2.93Å
471	M	85	Confident	80.8	Confident	23 Å²	23	81.4 Å²	81.4	11%	0.113	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	167.7	-174.4	-173.1	-170.7	0	0	109.2	W430 W433 S448 R449	W430-M471 HydrophobicContact CH2-CB 3.7Å; W430-M471 HydrophobicContact CZ2-CB 4.34Å; W430-M471 HydrophobicContact CZ3-CB 3.93Å; W433-M471 HydrophobicContact CH2-CG 4.11Å; W433-M471 HydrophobicContact CH2-SD 3.83Å; W433-M471 HydrophobicContact CZ2-SD 4.26Å; S448-M471 CarbonylContact C-O 3.57Å; S448-M471 VanDerWaalsContact CA-O 3.28Å; S448-M471 WeakPolarHBondContact CA-O 3.49Å; R449-M471 HydrophobicContact CG-CB 3.98Å; R449-M471 PolarHBondContact N-O 3.43Å; R449-M471 PolarHBondContact NE-SD 2.75Å; R449-M471 PolarHBondContact NH2-SD 3.39Å; R449-M471 PolarHBondContact O-N 3.1Å
472	N	89.5	Confident	81	Confident	94 Å²	94	82.1 Å²	82.1	50%	0.503	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.7	175.4	-65.3	-30.9	0	0	0	109	T446 R447 S448 Q470	T446-N472 HydrophobicContact CG2-CB 3.89Å; R447-N472 WeakPolarHBondContact O-CA 3.33Å; S448-N472 VanDerWaalsContact CB-OD1 3.29Å; S448-N472 WeakPolarHBondContact CB-OD1 3.25Å; Q470-N472 PolarHBondContact NE2-OD1 2.93Å
473	F	86	Confident	81.9	Confident	79 Å²	79	85.6 Å²	85.6	35%	0.346	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.6	179.1	-168.6	-89.1	0	0	0	109.9	W433 T446 R447	W433-F473 HydrophobicContact CH2-CB 3.53Å; W433-F473 HydrophobicContact CH2-CG 4.37Å; W433-F473 HydrophobicContact CZ2-CB 4.35Å; W433-F473 HydrophobicContact CZ3-CB 3.69Å; T446-F473 WeakPolarHBondContact CA-O 3.48Å; R447-F473 HydrophobicContact CG-CB 4.2Å; R447-F473 WeakPolarHBondContact CG-O 3.27Å; R447-F473 PolarHBondContact N-O 3.3Å; R447-F473 VanDerWaalsContact NH2-CD1 3.35Å; R447-F473 PolarHBondContact O-N 3.39Å
474	E	89.8	Confident	82.8	Confident	129 Å²	129	82.2 Å²	82.2	60%	0.603	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.4	-178.9	-63.7	-174.9	169.9	0	0	111.8	L444 G445	L444-E474 HydrophobicContact CD1-CB 4.1Å; L444-E474 HydrophobicContact CD2-CG 4.49Å; G445-E474 WeakPolarHBondContact O-CA 3.24Å
475	C	81.6	Confident	83.1	Confident	15 Å²	15	81.1 Å²	81.1	10%	0.101	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.9	-177.5	56.1	0	0	0	0	111.4	C436 G445 T446 R447	C436-C475 WeakPolarHBondContact CA-SG 3.13Å; C436-C475 HydrophobicContact CB-CB 3.94Å; C436-C475 WeakPolarHBondContact CB-SG 3Å; C436-C475 WeakPolarHBondContact SG-CB 3.45Å; C436-C475 PolarHBondContact SG-O 3.13Å; C436-C475 CovalentContact SG-SG 2.04Å; C436-C475 PolarHBondContact SG-SG 2.79Å; G445-C475 CarbonylContact C-O 3.47Å; G445-C475 VanDerWaalsContact C-SG 3.59Å; G445-C475 WeakPolarHBondContact CA-O 3.12Å; G445-C475 PolarHBondContact N-O 2.81Å; G445-C475 PolarHBondContact O-N 3.31Å; T446-C475 PolarHBondContact N-SG 3.3Å; R447-C475 HydrophobicContact CG-CB 4.24Å; R447-C475 PolarHBondContact N-SG 3.27Å; R447-C475 VanDerWaalsContact N-SG 3.4Å
476	F	87.9	Confident	83.6	Confident	129 Å²	129	85.2 Å²	85.2	57%	0.566	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	151.7	170.9	-62.1	-78.1	0	0	0	110	A441 L444	A441-F476 VanDerWaalsContact O-CD1 3.26Å; A441-F476 WeakPolarHBondContact O-CD1 2.91Å; L444-F476 HydrophobicContact CB-CE1 4.42Å; L444-F476 HydrophobicContact CD1-CD1 4.42Å; L444-F476 HydrophobicContact CD1-CE1 3.69Å; L444-F476 HydrophobicContact CD1-CE2 4.32Å; L444-F476 HydrophobicContact CD1-CZ 3.63Å
477	G	83.1	Confident	84.1	Confident	10 Å²	10	85.6 Å²	85.6	10%	0.103	46%	0.459	C	S	.	.			trans	-73.3	169.4	173.6	0	0	0	0	0	112.6	S438 C440 A441	S438-G477 WeakPolarHBondContact O-CA 3.05Å; C440-G477 PolarHBondContact O-N 3.27Å; C440-G477 VanDerWaalsContact O-N 3.1Å; A441-G477 VanDerWaalsContact CA-O 3.27Å; A441-G477 WeakPolarHBondContact CA-O 3.48Å; A441-G477 WeakPolarHBondContact CB-O 3.43Å
478	T	84.8	Confident	84.4	Confident	139 Å²	139	89.6 Å²	89.6	85%	0.853	47%	0.472	S	S	*	.	S	Bend	trans	-92	-14	-179.5	51.7	0	0	0	0	114.1	K439 I480	K439-T478 PolarHBondContact O-N 3.16Å; T478-I480 PolarHBondContact O-N 2.68Å
479	N	85.3	Confident	84.5	Confident	70 Å²	70	92.6 Å²	92.6	37%	0.374	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-83.7	110.8	-180	-170.3	12.2	0	0	0	111.1	K439 C440 A441 N481 C482	K439-N479 WeakPolarHBondContact O-CB 3.22Å; K439-N479 PolarHBondContact O-N 3.01Å; C440-N479 WeakPolarHBondContact CA-O 3.46Å; A441-N479 PolarHBondContact N-O 3.36Å; N479-N481 WeakPolarHBondContact OD1-CB 3.24Å; N479-N481 PolarHBondContact OD1-N 3.1Å; N479-C482 PolarHBondContact ND2-SG 2.66Å; N479-C482 VanDerWaalsContact ND2-SG 3.45Å
480	I	82.5	Confident	84.3	Confident	138 Å²	138	89.8 Å²	89.8	71%	0.708	47%	0.473	S	S	*	.	S	Bend	trans	-81.5	-18.7	176	-56.7	170.2	0	0	0	111.1	A441 T478 C482	A441-I480 HydrophobicContact CB-CG1 4.16Å; T478-I480 PolarHBondContact O-N 2.68Å; I480-C482 PolarHBondContact O-N 3.45Å; I480-C482 VanDerWaalsContact O-N 3.1Å
481	N	81.6	Confident	83.9	Confident	154 Å²	154	88.8 Å²	88.8	82%	0.824	47%	0.472	S	S	*	.			trans	-84.9	30	178.2	-59	-14.8	0	0	0	112.3	N479	N479-N481 WeakPolarHBondContact OD1-CB 3.24Å; N479-N481 PolarHBondContact OD1-N 3.1Å
482	C	69.7	Low	83.8	Confident	85 Å²	85	94.7 Å²	94.7	57%	0.574	51%	0.505	S	S	*	.			trans	-112.4	0	167.5	-68.2	0	0	0	0	109.6	C440 S442 N479 I480	C440-C482 VanDerWaalsContact CA-SG 3.54Å; C440-C482 HydrophobicContact CB-CB 3.21Å; C440-C482 WeakPolarHBondContact CB-SG 3.47Å; C440-C482 WeakPolarHBondContact SG-CB 3.14Å; C440-C482 CovalentContact SG-SG 2.04Å; C440-C482 PolarHBondContact SG-SG 2.04Å; S442-C482 PolarHBondContact OG-OXT 2.99Å; N479-C482 PolarHBondContact ND2-SG 2.66Å; N479-C482 VanDerWaalsContact ND2-SG 3.45Å; I480-C482 PolarHBondContact O-N 3.45Å; I480-C482 VanDerWaalsContact O-N 3.1Å

Retrieved 482 of 482 residues in 139.2 ms (Link to these results)

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