A0A061IC99_CRIGR Loading...

Zinc finger protein 276

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A061IC99, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Znf276, Length 617 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	41.3	Very low	46.9	Very low	224 Å²	224	158 Å²	158	100%	1.103	76%	0.756	S	S	*	*				0	140	0	-67.5	162.3	173	0	0	108.7
2	K	35.4	Very low	46.7	Very low	198 Å²	198	156.3 Å²	156.3	86%	0.861	77%	0.767	S	S	*	*			trans	-110.4	144.5	173.9	-67.9	179.8	178.8	177.5	0	109.1
3	R	49.8	Very low	45.6	Very low	165 Å²	165	150.2 Å²	150.2	62%	0.623	77%	0.769	S	S	*	*	B	Isolated β-bridge	trans	-110.5	149.6	168	-71	178.2	178.5	164.1	-4	108.3	F9	R3-F9 HydrophobicContact CG-CD1 3.8Å; R3-F9 HydrophobicContact CG-CE1 3.86Å; R3-F9 HydrophobicContact CG-CG 4.3Å; R3-F9 HydrophobicContact CG-CZ 4.42Å; R3-F9 VanDerWaalsContact NH2-CE2 3.33Å
4	D	66.4	Low	44.6	Very low	117 Å²	117	149.9 Å²	149.9	63%	0.626	78%	0.778	S	S	*	*			trans	-84.2	172.3	173.2	-146.6	-35.2	0	0	0	111.6	L6 G7	D4-L6 PolarHBondContact O-N 3.16Å; D4-G7 PolarHBondContact O-N 3.18Å
5	R	40.8	Very low	43.7	Very low	244 Å²	244	145.9 Å²	145.9	92%	0.921	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-11.2	-179	-73.4	-175.6	169.7	-174.7	-1.8	114.9
6	L	55.6	Low	42.9	Very low	154 Å²	154	150.6 Å²	150.6	81%	0.806	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	20	172.4	-64.8	173.6	0	0	0	113.1	D4 R8	D4-L6 PolarHBondContact O-N 3.16Å; L6-R8 PolarHBondContact O-N 3.38Å
7	G	51	Low	42.1	Very low	45 Å²	45	150.4 Å²	150.4	46%	0.464	77%	0.774	S	S	.	*			trans	76.9	-13.7	165.7	0	0	0	0	0	117.1	D4	D4-G7 PolarHBondContact O-N 3.18Å
8	R	52.1	Low	41.3	Very low	197 Å²	197	155.3 Å²	155.3	74%	0.743	78%	0.781	S	S	*	*			trans	-67.6	147.2	179.4	-56.4	-174.2	-148.2	-116.3	2.6	111.9	L6	L6-R8 PolarHBondContact O-N 3.38Å
9	F	46.2	Very low	40.5	Very low	120 Å²	120	150.9 Å²	150.9	53%	0.526	78%	0.779	S	S	.	*	B	Isolated β-bridge	trans	-88.4	151.6	166.6	-71.7	-78.8	0	0	0	110.2	R3	R3-F9 HydrophobicContact CG-CD1 3.8Å; R3-F9 HydrophobicContact CG-CE1 3.86Å; R3-F9 HydrophobicContact CG-CG 4.3Å; R3-F9 HydrophobicContact CG-CZ 4.42Å; R3-F9 VanDerWaalsContact NH2-CE2 3.33Å
10	L	40.8	Very low	40	Very low	154 Å²	154	149 Å²	149	81%	0.806	78%	0.78	S	S	*	*			trans	-113.5	132.9	170.3	-64.2	173.9	0	0	0	109.4
11	S	36.7	Very low	39.4	Very low	120 Å²	120	147.9 Å²	147.9	84%	0.839	78%	0.784	S	S	*	*			trans	-83.2	145.5	177.5	-59.5	0	0	0	0	111.5
12	P	44.4	Very low	38.8	Very low	137 Å²	137	141 Å²	141	89%	0.89	77%	0.771	S	S	*	*			trans	-80.2	140.4	174.6	32.6	-33.2	0	0	0	111.7
13	G	32.5	Very low	38.4	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	77%	0.77	S	S	*	*			trans	-138.1	146.6	172.1	0	0	0	0	0	110.6
14	T	31.1	Very low	37.4	Very low	146 Å²	146	133.1 Å²	133.1	90%	0.896	78%	0.779	S	S	*	*			trans	-100.1	167.4	-164.7	46.1	0	0	0	0	114.8
15	A	31.7	Very low	35.5	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	79%	0.792	S	S	*	*			trans	-61.6	174.2	169.5	0	0	0	0	0	112.1
16	R	30.2	Very low	35	Very low	222 Å²	222	125.3 Å²	125.3	84%	0.838	78%	0.78	S	S	*	*			cis	-172.5	168.8	35.3	-165.3	-174.9	170.6	-160.2	-0.8	111.4
17	Q	30.5	Very low	34	Very low	147 Å²	147	123.9 Å²	123.9	69%	0.687	78%	0.783	S	S	*	*			trans	96.2	110.4	155	-57.4	-154.3	46.3	0	0	121.6
18	R	27.8	Very low	33.2	Very low	238 Å²	238	124.4 Å²	124.4	90%	0.898	79%	0.788	S	S	*	*				63.7	117.5	112.5	-164.1	-173.7	-124.6	-97.1	3.3	120.4
19	G	26.1	Very low	32.3	Very low	72 Å²	72	123.8 Å²	123.8	74%	0.742	79%	0.786	S	S	*	*			trans	166.6	79.9	158.6	0	0	0	0	0	119.4
20	S	29.1	Very low	31.8	Very low	113 Å²	113	123.6 Å²	123.6	79%	0.79	80%	0.795	S	S	*	*			trans	42.9	139.7	145.6	-54.2	0	0	0	0	125.6
21	S	28.6	Very low	31.5	Very low	125 Å²	125	128 Å²	128	87%	0.874	80%	0.801	S	S	*	*			trans	67.3	127.1	138	58.1	0	0	0	0	122.7
22	G	27.7	Very low	31	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	80%	0.801	S	S	*	*			trans	159.7	122.2	161.9	0	0	0	0	0	112.8
23	G	26.8	Very low	30.3	Very low	82 Å²	82	129.5 Å²	129.5	85%	0.845	80%	0.795	S	S	*	*			trans	-89	-175.2	165.6	0	0	0	0	0	111.1
24	S	29.5	Very low	30.9	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	79%	0.794	S	S	*	*			cis	154.8	161.1	-10.1	-177.1	0	0	0	0	105.6
25	C	26.5	Very low	30.9	Very low	131 Å²	131	129 Å²	129	89%	0.885	78%	0.782	S	S	*	*			trans	67	150.9	-178.5	94	0	0	0	0	118
26	G	30.2	Very low	31.1	Very low	65 Å²	65	135.5 Å²	135.5	67%	0.67	79%	0.788	S	S	*	*			cis	153.2	137.8	-19.9	0	0	0	0	0	117.1
27	S	35.3	Very low	31.2	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	79%	0.787	S	S	*	*			trans	78.9	148.4	167.9	-42.2	0	0	0	0	118.1
28	G	34.3	Very low	31.2	Very low	56 Å²	56	127.8 Å²	127.8	58%	0.577	79%	0.79	S	S	*	*			cis	128	140.8	-12.2	0	0	0	0	0	116
29	R	32.5	Very low	31.2	Very low	184 Å²	184	121.7 Å²	121.7	69%	0.694	79%	0.791	S	S	*	*			trans	-177.9	120.3	157.5	-102.7	169.7	-149.9	-84.1	2	112.2
30	T	35.7	Very low	31.4	Very low	116 Å²	116	123.3 Å²	123.3	71%	0.712	80%	0.797	S	S	*	*				63.8	145.3	96.5	70.4	0	0	0	0	117.2
31	R	34.2	Very low	31.4	Very low	247 Å²	247	123.8 Å²	123.8	93%	0.932	80%	0.8	S	S	*	*			cis	-151.4	167.2	27.9	-63.7	173.7	169.3	175.6	-3.8	113.3
32	G	25.8	Very low	31.6	Very low	81 Å²	81	121.4 Å²	121.4	84%	0.835	79%	0.789	S	S	*	*			trans	162.2	128.9	155.6	0	0	0	0	0	116.2
33	R	30.1	Very low	31.7	Very low	207 Å²	207	125.4 Å²	125.4	78%	0.781	79%	0.791	S	S	*	*			trans	-158.7	146.5	175.7	-162.7	-138.3	179.1	-171.5	3.9	110.6
34	P	45.9	Very low	31.7	Very low	118 Å²	118	124.9 Å²	124.9	77%	0.766	79%	0.786	S	S	*	*				-145.1	-160.3	107.1	36.8	-19.6	0	0	0	111.4
35	S	29.8	Very low	31.7	Very low	93 Å²	93	124.1 Å²	124.1	65%	0.65	79%	0.786	S	S	*	*				-150.3	176.5	-67.6	-82.9	0	0	0	0	108.8
36	R	35.8	Very low	31.7	Very low	228 Å²	228	122.5 Å²	122.5	86%	0.86	78%	0.782	S	S	*	*			trans	-141.2	149	-172.6	175.5	-177.5	173.8	-131.7	-0.5	111.8
37	T	32.9	Very low	31.6	Very low	134 Å²	134	123.5 Å²	123.5	82%	0.822	79%	0.785	S	S	*	*			trans	-125.1	169.8	170.7	40	0	0	0	0	112.3
38	G	30.9	Very low	31.1	Very low	73 Å²	73	125.6 Å²	125.6	75%	0.753	79%	0.785	S	S	*	*			trans	-86.2	-161.5	-169.3	0	0	0	0	0	115.7
39	A	27.1	Very low	30.7	Very low	110 Å²	110	127.6 Å²	127.6	91%	0.909	80%	0.796	S	S	*	*			cis	-145.6	-173.9	8.7	0	0	0	0	0	112.3
40	A	30.4	Very low	30.4	Very low	106 Å²	106	123.9 Å²	123.9	88%	0.876	81%	0.805	S	S	*	*			trans	-137.6	162.8	178.2	0	0	0	0	0	110.8
41	S	28.5	Very low	30	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	81%	0.807	S	S	*	*			trans	-138.3	145.7	162.3	-171.6	0	0	0	0	109.6
42	A	33.5	Very low	29.6	Very low	76 Å²	76	120.4 Å²	120.4	63%	0.628	81%	0.806	S	S	*	*			trans	-91.5	-171.2	165.1	0	0	0	0	0	108.8
43	D	29.8	Very low	29.7	Very low	163 Å²	163	124.9 Å²	124.9	87%	0.872	81%	0.81	S	S	*	*			cis	-157.1	173.6	4.7	-141.9	-41.9	0	0	0	109.2
44	G	27.7	Very low	29.4	Very low	72 Å²	72	120.8 Å²	120.8	74%	0.742	81%	0.813	S	S	*	*			trans	151.8	89	168.8	0	0	0	0	0	117.6
45	A	28.5	Very low	28.6	Very low	99 Å²	99	127.3 Å²	127.3	82%	0.818	82%	0.823	S	S	*	*			trans	-71.4	154.7	-179	0	0	0	0	0	115.5
46	A	27.5	Very low	28.4	Very low	97 Å²	97	126.7 Å²	126.7	80%	0.802	83%	0.831	S	S	*	*				174	139.9	103.1	0	0	0	0	0	116.5
47	A	27.2	Very low	27.9	Very low	87 Å²	87	121.2 Å²	121.2	72%	0.719	83%	0.828	S	S	*	*			trans	67.8	109.8	140.1	0	0	0	0	0	124.1
48	L	25.6	Very low	27.5	Very low	168 Å²	168	120.8 Å²	120.8	88%	0.88	83%	0.825	S	S	*	*				71.2	93.7	123.7	-62.2	174.7	0	0	0	122
49	A	25.8	Very low	27.3	Very low	99 Å²	99	128.1 Å²	128.1	82%	0.818	83%	0.83	S	S	*	*			trans	-4.1	136.6	130.8	0	0	0	0	0	120.7
50	A	25.9	Very low	27.3	Very low	105 Å²	105	128 Å²	128	87%	0.868	82%	0.823	S	S	*	*				-150.4	157.5	127.4	0	0	0	0	0	109.4
51	A	26.7	Very low	27.1	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	82%	0.823	S	S	*	*			trans	-108.3	152.6	174.5	0	0	0	0	0	110.6
52	Q	26.3	Very low	27	Very low	199 Å²	199	126.9 Å²	126.9	93%	0.93	82%	0.819	S	S	*	*				-175.4	162.5	121.2	-101.3	169.9	12.4	0	0	113.1
53	L	27.3	Very low	26.7	Very low	175 Å²	175	130.6 Å²	130.6	92%	0.916	83%	0.828	S	S	*	*			trans	-92	141	173.7	-64.6	156.4	0	0	0	109.7
54	S	23.3	Very low	26.8	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	82%	0.823	S	S	*	*			trans	-166.8	161	134.5	-158.9	0	0	0	0	111.6
55	W	30.5	Very low	26.8	Very low	256 Å²	256	129.2 Å²	129.2	97%	0.97	83%	0.827	S	S	*	*			trans	-90.1	156.4	174	-68.2	-46.1	0	0	0	112.2
56	G	24.2	Very low	27.2	Very low	79 Å²	79	134 Å²	134	81%	0.814	83%	0.832	S	S	*	*			trans	-155	110	168.3	0	0	0	0	0	111.5
57	S	25.6	Very low	27.2	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	84%	0.839	S	S	*	*			trans	-88.5	147.3	170.9	-50.3	0	0	0	0	110.7
58	T	25.5	Very low	27.5	Very low	125 Å²	125	136 Å²	136	77%	0.767	83%	0.829	S	S	*	*				177.1	150.5	116.7	27.7	0	0	0	0	115.2
59	R	25.7	Very low	27.7	Very low	227 Å²	227	134.5 Å²	134.5	86%	0.857	83%	0.827	S	S	*	*			trans	55	101.8	142.8	-68	172.6	175.8	-165.5	-3.1	121
60	S	28.3	Very low	27.8	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	83%	0.828	S	S	*	*				31.3	114.8	103	-179.7	0	0	0	0	118.9
61	C	25.2	Very low	28.2	Very low	129 Å²	129	141 Å²	141	87%	0.872	83%	0.828	S	S	*	*				-155.4	173.2	105.1	-86.4	0	0	0	0	108.7
62	G	27.7	Very low	28.4	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	83%	0.83	S	S	*	*			trans	-148	174.5	168	0	0	0	0	0	110.2
63	D	26.3	Very low	28.6	Very low	153 Å²	153	135 Å²	135	82%	0.818	82%	0.819	S	S	*	*			trans	-157.4	-167.8	150.1	-159.3	53.9	0	0	0	111.2
64	T	31.9	Very low	28.7	Very low	127 Å²	127	131.6 Å²	131.6	78%	0.779	82%	0.816	S	S	*	*			trans	-77.8	166	-161.9	53.2	0	0	0	0	116
65	G	28.3	Very low	29.2	Very low	79 Å²	79	129 Å²	129	81%	0.814	81%	0.808	S	S	*	*			trans	177.3	123	169.2	0	0	0	0	0	111.4
66	E	36.4	Very low	29.8	Very low	199 Å²	199	128.3 Å²	128.3	93%	0.93	81%	0.805	S	S	*	*			trans	-111.2	134.7	-177.1	-59	173.9	109.6	0	0	111.3
67	D	28.4	Very low	30.6	Very low	176 Å²	176	131 Å²	131	94%	0.941	81%	0.807	S	S	*	*			trans	-162.4	168.3	142.2	-153	-6.9	0	0	0	110.1
68	G	31.6	Very low	31.6	Very low	50 Å²	50	131.3 Å²	131.3	52%	0.515	80%	0.799	S	S	.	*			trans	-115.3	-172.3	-170.7	0	0	0	0	0	116.9
69	T	30.7	Very low	32.8	Very low	137 Å²	137	128.6 Å²	128.6	84%	0.84	79%	0.789	S	S	*	*			trans	62.8	141.9	-177.3	42.7	0	0	0	0	115.2
70	D	27.2	Very low	34.4	Very low	156 Å²	156	123.8 Å²	123.8	83%	0.834	78%	0.777	S	S	*	*			cis	-136.6	171.5	20.2	-101.3	-46.4	0	0	0	114.7
71	E	35.6	Very low	35.9	Very low	184 Å²	184	119.1 Å²	119.1	86%	0.86	75%	0.746	S	S	*	*			trans	-72.9	118.2	177.5	-113.1	-80.9	96.3	0	0	113.1
72	A	30.8	Very low	37.4	Very low	97 Å²	97	116.7 Å²	116.7	80%	0.802	72%	0.722	S	S	*	*			trans	-153.8	76.8	173.7	0	0	0	0	0	114.8
73	G	29.4	Very low	38.8	Very low	67 Å²	67	113.1 Å²	113.1	69%	0.691	69%	0.685	S	S	*	*			trans	66.9	85.1	150.2	0	0	0	0	0	117.5	G75	G73-G75 PolarHBondContact O-N 3.45Å
74	A	30.9	Very low	40.4	Very low	104 Å²	104	109.2 Å²	109.2	86%	0.86	66%	0.659	S	S	*	*			trans	-61.5	85.1	175.3	0	0	0	0	0	114.2	R76	A74-R76 PolarHBondContact O-N 3.07Å; A74-R76 VanDerWaalsContact O-N 3.09Å
75	G	33.1	Very low	41.6	Very low	66 Å²	66	107.1 Å²	107.1	68%	0.68	64%	0.643	S	S	*	*			trans	-62.3	106.8	171	0	0	0	0	0	111.1	G73 T77	G73-G75 PolarHBondContact O-N 3.45Å; G75-T77 PolarHBondContact O-N 3.19Å
76	R	43.1	Very low	43	Very low	242 Å²	242	106.4 Å²	106.4	91%	0.913	63%	0.625	S	S	*	*			trans	-60.3	95.6	-177.2	-76.8	-179.6	-77.5	-146.9	-7.4	112	A74 L78	A74-R76 PolarHBondContact O-N 3.07Å; A74-R76 VanDerWaalsContact O-N 3.09Å; R76-L78 PolarHBondContact O-N 3.44Å
77	T	41.3	Very low	44	Very low	137 Å²	137	103 Å²	103	84%	0.84	61%	0.608	S	S	*	*			trans	-58.3	109.5	171.6	45.8	0	0	0	0	109.8	G75 A79	G75-T77 PolarHBondContact O-N 3.19Å; T77-A79 PolarHBondContact O-N 3.34Å
78	L	46.4	Very low	45.3	Very low	119 Å²	119	95.9 Å²	95.9	62%	0.623	58%	0.577	S	S	*	*			trans	-64.8	107.1	175.2	-81.9	160.1	0	0	0	109.1	R76 M80	R76-L78 PolarHBondContact O-N 3.44Å; L78-M80 WeakPolarHBondContact O-CG 3.41Å; L78-M80 PolarHBondContact O-N 3.39Å
79	A	51.3	Low	46.3	Very low	67 Å²	67	100.4 Å²	100.4	55%	0.554	58%	0.582	S	S	*	*			trans	-48.6	126.4	175.4	0	0	0	0	0	110.7	T77 S92	T77-A79 PolarHBondContact O-N 3.34Å; A79-S92 PolarHBondContact O-N 3.46Å; A79-S92 PolarHBondContact O-OG 3.19Å; A79-S92 VanDerWaalsContact O-OG 3.04Å
80	M	58.7	Low	47.7	Very low	126 Å²	126	97 Å²	97	62%	0.621	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.1	113	179.7	-58.3	-172.7	81.1	0	0	108.7	L78 K89 F90	L78-M80 WeakPolarHBondContact O-CG 3.41Å; L78-M80 PolarHBondContact O-N 3.39Å; M80-K89 HydrophobicContact CE-CB 4.17Å; M80-F90 CarbonylContact C-O 3.32Å; M80-F90 WeakPolarHBondContact CA-O 3.39Å
81	G	59.4	Low	49.2	Very low	11 Å²	11	91.5 Å²	91.5	11%	0.113	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	163	171.5	0	0	0	0	0	111.5	F90 L95	G81-F90 PolarHBondContact N-O 3.44Å; G81-F90 PolarHBondContact O-N 3.45Å; G81-L95 VanDerWaalsContact CA-CD1 3.45Å
82	H	56.3	Low	50.2	Low	79 Å²	79	85.5 Å²	85.5	37%	0.366	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143	172.4	-64.3	77.9	0	0	0	109.7	G88 K89 P136	H82-G88 WeakPolarHBondContact CA-O 3.34Å; H82-K89 WeakPolarHBondContact NE2-CE 3.39Å; H82-K89 VanDerWaalsContact NE2-CG 3.27Å; H82-K89 WeakPolarHBondContact NE2-CG 3.5Å; H82-P136 HydrophobicContact CB-CB 4.37Å; H82-P136 HydrophobicContact CB-CG 3.94Å; H82-P136 VanDerWaalsContact O-CB 3.27Å; H82-P136 WeakPolarHBondContact O-CB 3.25Å
83	C	58	Low	51.3	Low	0 Å²	0	91.8 Å²	91.8	0%	0	51%	0.511	C	S	.	.			trans	-83.9	127.9	176.6	175.6	0	0	0	0	111.9	L85 C86 H87 G88 F90 L95 C140 C143	C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 PolarHBondContact SG-N 3.36Å; C83-L85 VanDerWaalsContact SG-N 3.38Å; C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 3.31Å; C83-H87 WeakPolarHBondContact O-CA 3.46Å; C83-H87 PolarHBondContact O-N 3.09Å; C83-G88 PolarHBondContact N-O 3.4Å; C83-F90 HydrophobicContact CB-CD2 4.04Å; C83-F90 HydrophobicContact CB-CE2 3.8Å; C83-L95 HydrophobicContact CB-CD2 4.3Å; C83-C140 HydrophobicContact CB-CB 3.99Å; C83-C140 PolarHBondContact SG-N 3.45Å; C83-C143 PolarHBondContact SG-SG 2.74Å
84	R	59.5	Low	52.5	Low	70 Å²	70	91.2 Å²	91.2	26%	0.264	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.9	177.5	-168.1	171.6	173.9	177.3	-1.3	115.1	I98 P136 F138	R84-I98 HydrophobicContact CB-CD1 4.27Å; R84-P136 WeakPolarHBondContact CB-O 3.32Å; R84-F138 PolarHBondContact N-O 3.15Å
85	L	57.9	Low	53.8	Low	83 Å²	83	87.2 Å²	87.2	44%	0.435	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-11.7	-175.6	-67	-178.2	0	0	0	114.8	C83 F117 V139 C143	C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 PolarHBondContact SG-N 3.36Å; C83-L85 VanDerWaalsContact SG-N 3.38Å; L85-F117 HydrophobicContact CD1-CZ 4.35Å; L85-V139 HydrophobicContact CD1-CG1 3.92Å; L85-V139 HydrophobicContact CD1-CG2 4.48Å; L85-V139 HydrophobicContact CG-CG1 4.49Å; L85-C143 HydrophobicContact CB-CB 4.17Å; L85-C143 HydrophobicContact CD1-CB 4.14Å
86	C	57.2	Low	55.1	Low	64 Å²	64	88.8 Å²	88.8	43%	0.432	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	4.7	179	68.8	0	0	0	0	114.3	C83 G88	C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 3.31Å; C86-G88 PolarHBondContact O-N 3.07Å
87	H	57.8	Low	55.5	Low	128 Å²	128	79.7 Å²	79.7	59%	0.593	42%	0.42	S	S	*	.			trans	55.3	-4	179.3	-61.5	-95.6	0	0	0	116.8	C83	C83-H87 WeakPolarHBondContact O-CA 3.46Å; C83-H87 PolarHBondContact O-N 3.09Å
88	G	55.5	Low	56.2	Low	27 Å²	27	74.2 Å²	74.2	28%	0.278	39%	0.385	S	S	.	.			trans	-61.1	145.9	177.7	0	0	0	0	0	113.5	H82 C83 C86 F90	H82-G88 WeakPolarHBondContact CA-O 3.34Å; C83-G88 PolarHBondContact N-O 3.4Å; C86-G88 PolarHBondContact O-N 3.07Å; G88-F90 WeakPolarHBondContact O-CD2 3.37Å; G88-F90 WeakPolarHBondContact O-CE2 3.35Å
89	K	52.4	Low	56.4	Low	145 Å²	145	70.3 Å²	70.3	63%	0.63	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.4	174.5	-71.3	172.8	-179.5	177	0	110.1	M80 H82	M80-K89 HydrophobicContact CE-CB 4.17Å; H82-K89 WeakPolarHBondContact NE2-CE 3.39Å; H82-K89 VanDerWaalsContact NE2-CG 3.27Å; H82-K89 WeakPolarHBondContact NE2-CG 3.5Å
90	F	60.5	Low	55.7	Low	65 Å²	65	71.3 Å²	71.3	29%	0.285	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.6	178.1	-60.7	-83.3	0	0	0	110.6	M80 G81 C83 G88 S92 L95 C140	M80-F90 CarbonylContact C-O 3.32Å; M80-F90 WeakPolarHBondContact CA-O 3.39Å; G81-F90 PolarHBondContact N-O 3.44Å; G81-F90 PolarHBondContact O-N 3.45Å; C83-F90 HydrophobicContact CB-CD2 4.04Å; C83-F90 HydrophobicContact CB-CE2 3.8Å; G88-F90 WeakPolarHBondContact O-CD2 3.37Å; G88-F90 WeakPolarHBondContact O-CE2 3.35Å; F90-S92 PolarHBondContact O-N 2.81Å; F90-L95 HydrophobicContact CB-CD1 4.22Å; F90-L95 HydrophobicContact CB-CD2 4.02Å; F90-L95 HydrophobicContact CB-CG 3.94Å; F90-L95 HydrophobicContact CD2-CD2 3.96Å; F90-L95 HydrophobicContact CG-CD2 4.29Å; F90-C140 HydrophobicContact CD2-CB 4.21Å; F90-C140 HydrophobicContact CE2-CB 3.8Å; F90-C140 HydrophobicContact CZ-CB 4.03Å
91	S	57.5	Low	54.4	Low	41 Å²	41	75.1 Å²	75.1	29%	0.287	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	139	166.5	177.4	0	0	0	0	109.9	R93 S94	S91-R93 PolarHBondContact O-N 3.2Å; S91-S94 WeakPolarHBondContact O-CB 3.33Å; S91-S94 PolarHBondContact O-N 3.3Å
92	S	56.7	Low	53.2	Low	58 Å²	58	81.2 Å²	81.2	41%	0.406	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-54.2	-21.1	-178.6	-59.4	0	0	0	0	114.6	A79 F90 S94 L95	A79-S92 PolarHBondContact O-N 3.46Å; A79-S92 PolarHBondContact O-OG 3.19Å; A79-S92 VanDerWaalsContact O-OG 3.04Å; F90-S92 PolarHBondContact O-N 2.81Å; S92-S94 PolarHBondContact O-N 3.23Å; S92-L95 PolarHBondContact O-N 3.05Å
93	R	55.3	Low	52.3	Low	228 Å²	228	83.5 Å²	83.5	86%	0.86	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-70.2	-12.6	173.8	-60	-175.7	-171.7	-99.8	3	114.6	S91	S91-R93 PolarHBondContact O-N 3.2Å
94	S	54.2	Low	51.5	Low	56 Å²	56	87.1 Å²	87.1	39%	0.392	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-106	-4	-178.9	-159	0	0	0	0	113.4	S91 S92	S91-S94 WeakPolarHBondContact O-CB 3.33Å; S91-S94 PolarHBondContact O-N 3.3Å; S92-S94 PolarHBondContact O-N 3.23Å
95	L	58	Low	50.1	Low	19 Å²	19	91.6 Å²	91.6	10%	0.099	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.8	-177.4	-69.1	172.9	0	0	0	110.5	G81 C83 F90 S92 F138 C140	G81-L95 VanDerWaalsContact CA-CD1 3.45Å; C83-L95 HydrophobicContact CB-CD2 4.3Å; F90-L95 HydrophobicContact CB-CD1 4.22Å; F90-L95 HydrophobicContact CB-CD2 4.02Å; F90-L95 HydrophobicContact CB-CG 3.94Å; F90-L95 HydrophobicContact CD2-CD2 3.96Å; F90-L95 HydrophobicContact CG-CD2 4.29Å; S92-L95 PolarHBondContact O-N 3.05Å; L95-F138 HydrophobicContact CB-CB 4.13Å; L95-F138 HydrophobicContact CB-CD1 4.16Å; L95-F138 HydrophobicContact CB-CG 4.4Å; L95-F138 HydrophobicContact CD1-CB 4.11Å; L95-F138 HydrophobicContact CD1-CG 4.39Å; L95-F138 HydrophobicContact CD2-CB 4.26Å; L95-F138 HydrophobicContact CG-CB 4.4Å; L95-C140 HydrophobicContact CD2-CB 4.46Å
96	R	59.3	Low	48.8	Very low	100 Å²	100	94.4 Å²	94.4	38%	0.377	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.5	168.6	-66.9	-169.5	169.7	-75	1.8	110.1	E114 F138 V139	R96-E114 IonicContact NH1-OE1 2.61Å; R96-E114 PolarHBondContact NH1-OE1 2.97Å; R96-F138 CarbonylContact O-C 3.47Å; R96-F138 VanDerWaalsContact O-CA 3.25Å; R96-F138 WeakPolarHBondContact O-CA 3.36Å; R96-V139 PolarHBondContact N-O 2.94Å; R96-V139 PolarHBondContact O-N 2.9Å
97	S	51.8	Low	47.9	Very low	51 Å²	51	96.8 Å²	96.8	36%	0.357	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	146	169	-172.3	0	0	0	0	110.1	S99	S97-S99 PolarHBondContact OG-N 3.36Å
98	I	56.4	Low	46.8	Very low	22 Å²	22	100 Å²	100	11%	0.113	54%	0.542	C	S	.	.			trans	-92.2	-33.9	173.8	-58.5	169.2	0	0	0	110.7	R84 I118 Q137 V139	R84-I98 HydrophobicContact CB-CD1 4.27Å; I98-I118 HydrophobicContact CG2-CD1 3.95Å; I98-I118 HydrophobicContact CG2-CG1 3.66Å; I98-I118 WeakPolarHBondContact O-CD1 3.48Å; I98-Q137 WeakPolarHBondContact CG1-O 3.38Å; I98-Q137 PolarHBondContact N-O 3.46Å; I98-V139 HydrophobicContact CD1-CG2 3.69Å; I98-V139 HydrophobicContact CG1-CG2 3.71Å
99	S	50.9	Low	46	Very low	36 Å²	36	110.5 Å²	110.5	25%	0.252	57%	0.573	S	S	.	*			trans	-89.4	141.5	-155.4	-46.6	0	0	0	0	115.3	S97 Q137	S97-S99 PolarHBondContact OG-N 3.36Å; S99-Q137 PolarHBondContact OG-OE1 2.88Å
100	D	35.6	Very low	45.2	Very low	88 Å²	88	110.8 Å²	110.8	47%	0.471	58%	0.581	S	S	.	*			trans	-75.1	154.3	155.1	-107.1	-51.4	0	0	0	110.9	R115	D100-R115 VanDerWaalsContact CG-NE 3.32Å; D100-R115 IonicContact OD1-CZ 3.15Å; D100-R115 IonicContact OD1-NE 2.76Å; D100-R115 PolarHBondContact OD1-NE 3.27Å; D100-R115 IonicContact OD1-NH2 2.7Å; D100-R115 PolarHBondContact OD1-NH2 3.28Å; D100-R115 WeakPolarHBondContact OD2-CG 3.39Å; D100-R115 IonicContact OD2-NE 3.1Å; D100-R115 PolarHBondContact OD2-NE 3.01Å; D100-R115 VanDerWaalsContact OD2-NE 3.1Å
101	R	32.6	Very low	44.2	Very low	206 Å²	206	111.9 Å²	111.9	78%	0.777	60%	0.597	S	S	*	*			trans	-105.7	137.7	167.4	-83.1	-165.3	173.5	-150.8	1.3	111.1	E105	R101-E105 IonicContact NH1-OE2 3.46Å; R101-E105 PolarHBondContact NH1-OE2 2.92Å; R101-E105 VanDerWaalsContact NH1-OE2 3.14Å
102	V	33.7	Very low	43.3	Very low	139 Å²	139	115.7 Å²	115.7	84%	0.842	62%	0.62	S	S	*	*			trans	-70.2	143.7	166.7	174.4	0	0	0	0	108.5
103	P	37.1	Very low	42.7	Very low	127 Å²	127	114.8 Å²	114.8	83%	0.825	62%	0.62	S	S	*	*	S	Bend	trans	-76.8	137.4	-160.9	29.1	-36	0	0	0	113.7
104	G	42.6	Very low	42.1	Very low	76 Å²	76	106.1 Å²	106.1	78%	0.784	59%	0.59	S	S	*	*			trans	173.5	6.6	177.1	0	0	0	0	0	118
105	E	29.8	Very low	41.6	Very low	165 Å²	165	111.6 Å²	111.6	77%	0.771	60%	0.601	S	S	*	*	S	Bend	trans	-145.7	154.2	179.6	-95.9	176.8	142.1	0	0	111.9	R101	R101-E105 IonicContact NH1-OE2 3.46Å; R101-E105 PolarHBondContact NH1-OE2 2.92Å; R101-E105 VanDerWaalsContact NH1-OE2 3.14Å
106	T	29.8	Very low	41.4	Very low	142 Å²	142	112.6 Å²	112.6	87%	0.871	61%	0.609	S	S	*	*			trans	-90	111	-164	49.6	0	0	0	0	115.1
107	S	39.3	Very low	41.2	Very low	113 Å²	113	108.7 Å²	108.7	79%	0.79	59%	0.594	S	S	*	*			trans	48.2	82.1	143.7	-177.8	0	0	0	0	118.8
108	E	34.2	Very low	41.1	Very low	195 Å²	195	108 Å²	108	91%	0.911	59%	0.586	S	S	*	*			trans	-127.9	158.5	139	-79.6	-141.5	111.8	0	0	111.5	L110	E108-L110 PolarHBondContact O-N 3.25Å
109	R	37.5	Very low	41	Very low	248 Å²	248	112.8 Å²	112.8	94%	0.936	60%	0.603	S	S	*	*			trans	-105.8	84.4	-146.7	-164.5	-178	-160.4	153	3.8	113.8
110	L	36	Very low	41.1	Very low	152 Å²	152	111.6 Å²	111.6	80%	0.796	59%	0.594	S	S	*	*			trans	-78	155.8	174.3	-75.4	171.1	0	0	0	113.7	E108	E108-L110 PolarHBondContact O-N 3.25Å
111	S	39.8	Very low	41.8	Very low	88 Å²	88	110 Å²	110	62%	0.615	58%	0.582	S	S	*	*			trans	-94.3	146.1	-167.4	-68.6	0	0	0	0	113.7	G113	S111-G113 PolarHBondContact O-N 3.42Å
112	P	39.7	Very low	42.7	Very low	120 Å²	120	103.6 Å²	103.6	78%	0.779	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-10.2	-173.6	-27.9	35.9	0	0	0	117.9
113	G	42.9	Very low	43.7	Very low	39 Å²	39	104.5 Å²	104.5	40%	0.402	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.7	-175.4	0	0	0	0	0	115.2	S111 V116	S111-G113 PolarHBondContact O-N 3.42Å; G113-V116 WeakPolarHBondContact O-CB 3.36Å; G113-V116 WeakPolarHBondContact O-CG2 3.16Å; G113-V116 PolarHBondContact O-N 2.91Å
114	E	42.2	Very low	44.3	Very low	47 Å²	47	100.9 Å²	100.9	22%	0.22	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-30.9	-168	-69.4	176.7	145	0	0	112.6	R96 V116 F117	R96-E114 IonicContact NH1-OE1 2.61Å; R96-E114 PolarHBondContact NH1-OE1 2.97Å; E114-V116 PolarHBondContact O-N 2.93Å; E114-V116 VanDerWaalsContact O-N 3.12Å; E114-F117 PolarHBondContact O-N 2.9Å
115	R	44	Very low	44.5	Very low	170 Å²	170	101.7 Å²	101.7	64%	0.642	51%	0.509	S	S	*	.	H	α-helix	trans	-62.6	-14.9	169.9	-68.7	-173.7	168.2	154.6	1.4	114.6	D100	D100-R115 VanDerWaalsContact CG-NE 3.32Å; D100-R115 IonicContact OD1-CZ 3.15Å; D100-R115 IonicContact OD1-NE 2.76Å; D100-R115 PolarHBondContact OD1-NE 3.27Å; D100-R115 IonicContact OD1-NH2 2.7Å; D100-R115 PolarHBondContact OD1-NH2 3.28Å; D100-R115 WeakPolarHBondContact OD2-CG 3.39Å; D100-R115 IonicContact OD2-NE 3.1Å; D100-R115 PolarHBondContact OD2-NE 3.01Å; D100-R115 VanDerWaalsContact OD2-NE 3.1Å
116	V	55.4	Low	45.2	Very low	41 Å²	41	97.2 Å²	97.2	25%	0.248	51%	0.507	C	S	.	.	H	α-helix	trans	-76.1	-30.4	-178	-171.7	0	0	0	0	111.4	G113 E114 D120	G113-V116 WeakPolarHBondContact O-CB 3.36Å; G113-V116 WeakPolarHBondContact O-CG2 3.16Å; G113-V116 PolarHBondContact O-N 2.91Å; E114-V116 PolarHBondContact O-N 2.93Å; E114-V116 VanDerWaalsContact O-N 3.12Å; V116-D120 WeakPolarHBondContact O-CB 3.36Å; V116-D120 PolarHBondContact O-N 3.26Å
117	F	53.2	Low	45.7	Very low	17 Å²	17	95.5 Å²	95.5	8%	0.075	50%	0.496	C	S	.	.	H	α-helix	trans	-66.5	-53.6	-171.8	-177	-103.8	0	0	0	113.3	L85 E114 R119 D120 F121 V139 Y144 F147 Y148	L85-F117 HydrophobicContact CD1-CZ 4.35Å; E114-F117 PolarHBondContact O-N 2.9Å; F117-R119 VanDerWaalsContact C-N 3.3Å; F117-R119 PolarHBondContact O-N 3.44Å; F117-D120 PolarHBondContact O-N 3.09Å; F117-F121 HydrophobicContact CZ-CD2 4.43Å; F117-F121 VanDerWaalsContact O-CB 3.26Å; F117-F121 WeakPolarHBondContact O-CB 3.26Å; F117-F121 PolarHBondContact O-N 3.37Å; F117-V139 HydrophobicContact CE1-CG2 4.01Å; F117-V139 HydrophobicContact CZ-CG2 4.26Å; F117-Y144 HydrophobicContact CB-CE2 4.24Å; F117-Y144 AromaticContact CD2-CD2 3.9Å; F117-Y144 HydrophobicContact CD2-CD2 3.9Å; F117-Y144 AromaticContact CD2-CE2 3.91Å; F117-Y144 HydrophobicContact CD2-CE2 3.91Å; F117-Y144 HydrophobicContact CE2-CD2 4.2Å; F117-Y144 HydrophobicContact CG-CD2 4.44Å; F117-Y144 HydrophobicContact CG-CE2 4.27Å; F117-F147 AromaticContact CD2-CD1 3.91Å; F117-F147 HydrophobicContact CD2-CD1 3.91Å; F117-F147 HydrophobicContact CD2-CE1 4.24Å; F117-F147 HydrophobicContact CE2-CB 4.1Å; F117-F147 AromaticContact CE2-CD1 3.47Å; F117-F147 HydrophobicContact CE2-CD1 3.47Å; F117-F147 VanDerWaalsContact CE2-CD1 3.47Å; F117-F147 HydrophobicContact CE2-CE1 4.09Å; F117-F147 AromaticContact CE2-CG 3.75Å; F117-F147 HydrophobicContact CE2-CG 3.75Å; F117-F147 HydrophobicContact CZ-CD1 4.47Å; F117-F147 HydrophobicContact CZ-CG 4.43Å; F117-Y148 WeakPolarHBondContact CA-OH 3.39Å; F117-Y148 AromaticContact CD2-CE2 3.81Å; F117-Y148 HydrophobicContact CD2-CE2 3.81Å; F117-Y148 PolarHBondContact N-OH 3.47Å
118	I	51.1	Low	45.5	Very low	38 Å²	38	93.7 Å²	93.7	20%	0.195	49%	0.488	C	S	.	.	H	α-helix	trans	-56.4	-47.4	178.6	-62.4	167.8	0	0	0	110.4	I98 D120 F121 Q122	I98-I118 HydrophobicContact CG2-CD1 3.95Å; I98-I118 HydrophobicContact CG2-CG1 3.66Å; I98-I118 WeakPolarHBondContact O-CD1 3.48Å; I118-D120 PolarHBondContact O-N 3.14Å; I118-F121 WeakPolarHBondContact O-CB 3.32Å; I118-F121 PolarHBondContact O-N 3.36Å; I118-Q122 HydrophobicContact CG2-CG 4.27Å; I118-Q122 WeakPolarHBondContact O-CG 3.33Å; I118-Q122 PolarHBondContact O-N 3.38Å
119	R	54	Low	45.9	Very low	121 Å²	121	86.5 Å²	86.5	46%	0.457	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-40.9	-175.3	-171.9	-176.2	64.9	-172.2	-4.4	112.3	F117 R123	F117-R119 VanDerWaalsContact C-N 3.3Å; F117-R119 PolarHBondContact O-N 3.44Å; R119-R123 WeakPolarHBondContact O-CB 3.31Å; R119-R123 WeakPolarHBondContact O-CD 3.43Å; R119-R123 WeakPolarHBondContact O-CG 3.38Å; R119-R123 PolarHBondContact O-N 2.95Å
120	D	52.4	Low	46	Very low	11 Å²	11	82.7 Å²	82.7	6%	0.059	45%	0.45	C	S	.	.	H	α-helix	trans	-75.7	-27.1	176.3	-79.5	-3.6	0	0	0	112.2	V116 F117 I118 R123 L124 Y148 H151 R155	V116-D120 WeakPolarHBondContact O-CB 3.36Å; V116-D120 PolarHBondContact O-N 3.26Å; F117-D120 PolarHBondContact O-N 3.09Å; I118-D120 PolarHBondContact O-N 3.14Å; D120-R123 IonicContact OD1-NH1 3.75Å; D120-L124 WeakPolarHBondContact O-CB 3.48Å; D120-L124 PolarHBondContact O-N 3.33Å; D120-Y148 HydrophobicContact CB-CE1 4.48Å; D120-H151 IonicContact OD2-CE1 3.8Å; D120-H151 PolarHBondContact OD2-CE1 2.95Å; D120-H151 VanDerWaalsContact OD2-CE1 3.27Å; D120-H151 IonicContact OD2-NE2 3.02Å; D120-R155 VanDerWaalsContact CG-NH2 3.31Å; D120-R155 IonicContact OD1-NH2 2.75Å; D120-R155 PolarHBondContact OD1-NH2 3.42Å; D120-R155 IonicContact OD2-NH2 3.83Å; D120-R155 PolarHBondContact OD2-NH2 2.94Å
121	F	50.3	Low	46.3	Very low	54 Å²	54	81.8 Å²	81.8	24%	0.237	44%	0.442	C	S	.	.	H	α-helix	trans	-67	-49	171	-170.2	-90.4	0	0	0	111.9	F117 I118 R123 L124 L125 V129 F147	F117-F121 HydrophobicContact CZ-CD2 4.43Å; F117-F121 VanDerWaalsContact O-CB 3.26Å; F117-F121 WeakPolarHBondContact O-CB 3.26Å; F117-F121 PolarHBondContact O-N 3.37Å; I118-F121 WeakPolarHBondContact O-CB 3.32Å; I118-F121 PolarHBondContact O-N 3.36Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 2.8Å; F121-L124 WeakPolarHBondContact O-CB 3.4Å; F121-L124 PolarHBondContact O-N 3.5Å; F121-L124 VanDerWaalsContact O-N 3.15Å; F121-L125 HydrophobicContact CD1-CD1 3.9Å; F121-L125 HydrophobicContact CE1-CD1 3.38Å; F121-L125 HydrophobicContact CE2-CD1 4.47Å; F121-L125 HydrophobicContact CZ-CD1 3.7Å; F121-L125 PolarHBondContact O-N 2.99Å; F121-L125 VanDerWaalsContact O-N 3.14Å; F121-V129 HydrophobicContact CD1-CG2 4.05Å; F121-V129 HydrophobicContact CE1-CG2 3.99Å; F121-F147 HydrophobicContact CB-CE2 4.32Å; F121-F147 HydrophobicContact CB-CZ 4.03Å; F121-F147 AromaticContact CD2-CD2 3.9Å; F121-F147 HydrophobicContact CD2-CD2 3.9Å; F121-F147 AromaticContact CD2-CE2 3.44Å; F121-F147 HydrophobicContact CD2-CE2 3.44Å; F121-F147 VanDerWaalsContact CD2-CE2 3.44Å; F121-F147 AromaticContact CD2-CZ 4Å; F121-F147 HydrophobicContact CD2-CZ 4Å; F121-F147 HydrophobicContact CE2-CD2 4.36Å; F121-F147 HydrophobicContact CE2-CE2 4.17Å; F121-F147 HydrophobicContact CG-CE2 4.26Å; F121-F147 HydrophobicContact CG-CZ 4.46Å
122	Q	52.2	Low	46.3	Very low	72 Å²	72	81.8 Å²	81.8	34%	0.336	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-40.9	173.8	-72	170.3	-22.4	0	0	111.8	I118 L124 L125 G126 V129	I118-Q122 HydrophobicContact CG2-CG 4.27Å; I118-Q122 WeakPolarHBondContact O-CG 3.33Å; I118-Q122 PolarHBondContact O-N 3.38Å; Q122-L124 VanDerWaalsContact C-N 3.32Å; Q122-L124 PolarHBondContact O-N 2.84Å; Q122-L125 PolarHBondContact O-N 3.26Å; Q122-G126 PolarHBondContact O-N 3.49Å; Q122-V129 HydrophobicContact CG-CB 4.25Å; Q122-V129 HydrophobicContact CG-CG2 4.14Å
123	R	54.6	Low	46.5	Very low	159 Å²	159	81.9 Å²	81.9	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-68.4	-24.3	174.7	-75.4	168.7	171.3	-177.9	-8.2	114.5	R119 D120 F121	R119-R123 WeakPolarHBondContact O-CB 3.31Å; R119-R123 WeakPolarHBondContact O-CD 3.43Å; R119-R123 WeakPolarHBondContact O-CG 3.38Å; R119-R123 PolarHBondContact O-N 2.95Å; D120-R123 IonicContact OD1-NH1 3.75Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 2.8Å
124	L	49.3	Very low	46.4	Very low	50 Å²	50	84.2 Å²	84.2	26%	0.262	45%	0.451	S	S	.	.	H	α-helix	trans	-76.3	-40.1	174.9	-166.8	89	0	0	0	111.4	D120 F121 Q122 F147 H151 L154	D120-L124 WeakPolarHBondContact O-CB 3.48Å; D120-L124 PolarHBondContact O-N 3.33Å; F121-L124 WeakPolarHBondContact O-CB 3.4Å; F121-L124 PolarHBondContact O-N 3.5Å; F121-L124 VanDerWaalsContact O-N 3.15Å; Q122-L124 VanDerWaalsContact C-N 3.32Å; Q122-L124 PolarHBondContact O-N 2.84Å; L124-F147 HydrophobicContact CB-CZ 4.47Å; L124-F147 HydrophobicContact CD2-CE2 3.73Å; L124-F147 HydrophobicContact CD2-CZ 4.3Å; L124-H151 HydrophobicContact CD1-CB 3.93Å; L124-L154 HydrophobicContact CD1-CB 3.83Å; L124-L154 HydrophobicContact CD1-CD2 3.48Å; L124-L154 VanDerWaalsContact CD1-CD2 3.48Å; L124-L154 HydrophobicContact CD1-CG 4.28Å; L124-L154 HydrophobicContact CG-CD2 3.86Å
125	L	47.5	Very low	46.7	Very low	94 Å²	94	85.2 Å²	85.2	49%	0.492	46%	0.457	S	S	.	.	H	α-helix	trans	-91.5	-19.5	-173.3	-62.3	-179.6	0	0	0	114.2	F121 Q122 V127	F121-L125 HydrophobicContact CD1-CD1 3.9Å; F121-L125 HydrophobicContact CE1-CD1 3.38Å; F121-L125 HydrophobicContact CE2-CD1 4.47Å; F121-L125 HydrophobicContact CZ-CD1 3.7Å; F121-L125 PolarHBondContact O-N 2.99Å; F121-L125 VanDerWaalsContact O-N 3.14Å; Q122-L125 PolarHBondContact O-N 3.26Å; L125-V127 PolarHBondContact O-N 2.93Å; L125-V127 VanDerWaalsContact O-N 3.14Å
126	G	44.3	Very low	47	Very low	71 Å²	71	79.1 Å²	79.1	73%	0.732	44%	0.44	S	S	*	.			trans	72	0.3	178.2	0	0	0	0	0	115.4	Q122	Q122-G126 PolarHBondContact O-N 3.49Å
127	V	39	Very low	47.1	Very low	106 Å²	106	82 Å²	82	64%	0.642	45%	0.45	S	S	*	.	S	Bend	trans	-118.4	143.1	-178.1	-178.4	0	0	0	0	110.2	L125 V129	L125-V127 PolarHBondContact O-N 2.93Å; L125-V127 VanDerWaalsContact O-N 3.14Å; V127-V129 PolarHBondContact O-N 3.2Å; V127-V129 VanDerWaalsContact O-N 3.09Å
128	A	35.9	Very low	47.3	Very low	74 Å²	74	84.9 Å²	84.9	61%	0.612	46%	0.463	S	S	*	.			trans	-67.6	104.7	176.4	0	0	0	0	0	111.1	H130	A128-H130 PolarHBondContact O-N 3.45Å
129	V	42.7	Very low	47.7	Very low	45 Å²	45	83.3 Å²	83.3	27%	0.273	46%	0.455	S	S	.	.			trans	-74.1	98.4	176.5	-178.3	0	0	0	0	109.5	F121 Q122 V127	F121-V129 HydrophobicContact CD1-CG2 4.05Å; F121-V129 HydrophobicContact CE1-CG2 3.99Å; Q122-V129 HydrophobicContact CG-CB 4.25Å; Q122-V129 HydrophobicContact CG-CG2 4.14Å; V127-V129 PolarHBondContact O-N 3.2Å; V127-V129 VanDerWaalsContact O-N 3.09Å
130	H	39.3	Very low	48.3	Very low	168 Å²	168	77.9 Å²	77.9	78%	0.778	44%	0.436	S	S	*	.			trans	-63.4	144	166.8	-84	-103	0	0	0	110.5	A128	A128-H130 PolarHBondContact O-N 3.45Å
131	Q	42.9	Very low	48.5	Very low	133 Å²	133	83.7 Å²	83.7	62%	0.621	46%	0.461	S	S	*	.			trans	-91.6	108	-179	-60.2	-175.3	35.1	0	0	109.3	P133	Q131-P133 WeakPolarHBondContact O-CD 3.45Å
132	D	40.2	Very low	48.6	Very low	87 Å²	87	86.7 Å²	86.7	47%	0.465	48%	0.479	S	S	.	.			trans	-71.6	118.3	167.2	-173.2	-22.1	0	0	0	109.4	A134 L135	D132-A134 PolarHBondContact O-N 3.44Å; D132-A134 WeakPolarHBondContact OD1-CB 3.4Å; D132-A134 PolarHBondContact OD1-N 3.34Å; D132-L135 HydrophobicContact CB-CD1 4.21Å; D132-L135 HydrophobicContact CB-CG 4.37Å; D132-L135 PolarHBondContact O-N 2.93Å
133	P	42.4	Very low	48.9	Very low	123 Å²	123	83.9 Å²	83.9	80%	0.799	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.4	179.8	-21.2	34.3	0	0	0	114.4	Q131 L135	Q131-P133 WeakPolarHBondContact O-CD 3.45Å; P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 3.06Å
134	A	40.7	Very low	49.2	Very low	88 Å²	88	78.8 Å²	78.8	73%	0.727	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.2	-176.6	0	0	0	0	0	113.9	D132	D132-A134 PolarHBondContact O-N 3.44Å; D132-A134 WeakPolarHBondContact OD1-CB 3.4Å; D132-A134 PolarHBondContact OD1-N 3.34Å
135	L	48.3	Very low	49.6	Very low	67 Å²	67	79.4 Å²	79.4	35%	0.351	45%	0.454	S	S	.	.	S	Bend	trans	-97	144	-173.2	-67.9	178.4	0	0	0	113.7	D132 P133 Q137	D132-L135 HydrophobicContact CB-CD1 4.21Å; D132-L135 HydrophobicContact CB-CG 4.37Å; D132-L135 PolarHBondContact O-N 2.93Å; P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 3.06Å; L135-Q137 PolarHBondContact O-N 3.32Å
136	P	51.8	Low	49.9	Very low	43 Å²	43	80.8 Å²	80.8	28%	0.279	46%	0.458	S	S	.	.			trans	-56.4	129.2	179.3	-25.7	34	0	0	0	113.2	H82 R84 F138	H82-P136 HydrophobicContact CB-CB 4.37Å; H82-P136 HydrophobicContact CB-CG 3.94Å; H82-P136 VanDerWaalsContact O-CB 3.27Å; H82-P136 WeakPolarHBondContact O-CB 3.25Å; R84-P136 WeakPolarHBondContact CB-O 3.32Å; P136-F138 PolarHBondContact O-N 3.14Å
137	Q	56.6	Low	50.6	Low	100 Å²	100	78.4 Å²	78.4	47%	0.467	43%	0.428	S	S	.	.	S	Bend	trans	-78.2	28.4	-178.3	-58.1	-172.6	14.7	0	0	113.7	I98 S99 L135	I98-Q137 WeakPolarHBondContact CG1-O 3.38Å; I98-Q137 PolarHBondContact N-O 3.46Å; S99-Q137 PolarHBondContact OG-OE1 2.88Å; L135-Q137 PolarHBondContact O-N 3.32Å
138	F	56.8	Low	51.6	Low	79 Å²	79	75.8 Å²	75.8	35%	0.346	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.7	-165.3	-64.7	-73.3	0	0	0	114.1	R84 L95 R96 P136	R84-F138 PolarHBondContact N-O 3.15Å; L95-F138 HydrophobicContact CB-CB 4.13Å; L95-F138 HydrophobicContact CB-CD1 4.16Å; L95-F138 HydrophobicContact CB-CG 4.4Å; L95-F138 HydrophobicContact CD1-CB 4.11Å; L95-F138 HydrophobicContact CD1-CG 4.39Å; L95-F138 HydrophobicContact CD2-CB 4.26Å; L95-F138 HydrophobicContact CG-CB 4.4Å; R96-F138 CarbonylContact O-C 3.47Å; R96-F138 VanDerWaalsContact O-CA 3.25Å; R96-F138 WeakPolarHBondContact O-CA 3.36Å; P136-F138 PolarHBondContact O-N 3.14Å
139	V	61.2	Low	52.5	Low	4 Å²	4	78 Å²	78	2%	0.024	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.7	176.1	-179.4	0	0	0	0	111.3	L85 R96 I98 F117 C143	L85-V139 HydrophobicContact CD1-CG1 3.92Å; L85-V139 HydrophobicContact CD1-CG2 4.48Å; L85-V139 HydrophobicContact CG-CG1 4.49Å; R96-V139 PolarHBondContact N-O 2.94Å; R96-V139 PolarHBondContact O-N 2.9Å; I98-V139 HydrophobicContact CD1-CG2 3.69Å; I98-V139 HydrophobicContact CG1-CG2 3.71Å; F117-V139 HydrophobicContact CE1-CG2 4.01Å; F117-V139 HydrophobicContact CZ-CG2 4.26Å; V139-C143 HydrophobicContact CG1-CB 3.7Å
140	C	66	Low	52.8	Low	7 Å²	7	79.6 Å²	79.6	5%	0.047	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	147.2	176.3	97.1	0	0	0	0	112	C83 F90 L95 N142 C143 Y144	C83-C140 HydrophobicContact CB-CB 3.99Å; C83-C140 PolarHBondContact SG-N 3.45Å; F90-C140 HydrophobicContact CD2-CB 4.21Å; F90-C140 HydrophobicContact CE2-CB 3.8Å; F90-C140 HydrophobicContact CZ-CB 4.03Å; L95-C140 HydrophobicContact CD2-CB 4.46Å; C140-N142 VanDerWaalsContact C-N 3.31Å; C140-N142 PolarHBondContact O-N 3.24Å; C140-C143 HydrophobicContact CB-CB 4.15Å; C140-C143 WeakPolarHBondContact CB-SG 3.45Å; C140-C143 VanDerWaalsContact O-CB 3.27Å; C140-C143 WeakPolarHBondContact O-CB 3.18Å; C140-C143 PolarHBondContact O-N 2.89Å; C140-C143 VanDerWaalsContact O-N 3.1Å; C140-C143 WeakPolarHBondContact SG-CB 3.39Å; C140-C143 PolarHBondContact SG-N 3.04Å; C140-C143 CovalentContact SG-SG 2.06Å; C140-C143 PolarHBondContact SG-SG 3.39Å; C140-Y144 PolarHBondContact O-N 3.05Å
141	K	56.3	Low	53.4	Low	134 Å²	134	72.2 Å²	72.2	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-55.9	-40.6	-177.8	-165.6	175.8	-179	-179.8	0	113.7	T145	K141-T145 PolarHBondContact O-N 2.87Å; K141-T145 VanDerWaalsContact O-N 3.09Å; K141-T145 PolarHBondContact O-OG1 3.49Å
142	N	52.6	Low	54	Low	116 Å²	116	68.7 Å²	68.7	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-44.4	177	-68.5	9.3	0	0	0	111.8	C140 Y144 T145 Q146	C140-N142 VanDerWaalsContact C-N 3.31Å; C140-N142 PolarHBondContact O-N 3.24Å; N142-Y144 VanDerWaalsContact C-N 3.33Å; N142-Y144 PolarHBondContact O-N 3.29Å; N142-T145 WeakPolarHBondContact CA-OG1 3.44Å; N142-T145 PolarHBondContact O-N 3.36Å; N142-T145 VanDerWaalsContact O-N 3.13Å; N142-T145 PolarHBondContact O-OG1 2.97Å; N142-Q146 PolarHBondContact O-N 2.86Å
143	C	59.3	Low	54.5	Low	14 Å²	14	70.1 Å²	70.1	10%	0.095	38%	0.379	C	S	.	.	H	α-helix	trans	-57.5	-46.4	178.1	-48.7	0	0	0	0	110.9	C83 L85 V139 C140 Q146 F147	C83-C143 PolarHBondContact SG-SG 2.74Å; L85-C143 HydrophobicContact CB-CB 4.17Å; L85-C143 HydrophobicContact CD1-CB 4.14Å; V139-C143 HydrophobicContact CG1-CB 3.7Å; C140-C143 HydrophobicContact CB-CB 4.15Å; C140-C143 WeakPolarHBondContact CB-SG 3.45Å; C140-C143 VanDerWaalsContact O-CB 3.27Å; C140-C143 WeakPolarHBondContact O-CB 3.18Å; C140-C143 PolarHBondContact O-N 2.89Å; C140-C143 VanDerWaalsContact O-N 3.1Å; C140-C143 WeakPolarHBondContact SG-CB 3.39Å; C140-C143 PolarHBondContact SG-N 3.04Å; C140-C143 CovalentContact SG-SG 2.06Å; C140-C143 PolarHBondContact SG-SG 3.39Å; C143-Q146 PolarHBondContact O-N 2.96Å; C143-F147 PolarHBondContact O-N 3.5Å
144	Y	60.4	Low	54.8	Low	51 Å²	51	68 Å²	68	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-45.7	174	-176.3	-82.7	0	0	0	111.9	F117 C140 N142 Y148	F117-Y144 HydrophobicContact CB-CE2 4.24Å; F117-Y144 AromaticContact CD2-CD2 3.9Å; F117-Y144 HydrophobicContact CD2-CD2 3.9Å; F117-Y144 AromaticContact CD2-CE2 3.91Å; F117-Y144 HydrophobicContact CD2-CE2 3.91Å; F117-Y144 HydrophobicContact CE2-CD2 4.2Å; F117-Y144 HydrophobicContact CG-CD2 4.44Å; F117-Y144 HydrophobicContact CG-CE2 4.27Å; C140-Y144 PolarHBondContact O-N 3.05Å; N142-Y144 VanDerWaalsContact C-N 3.33Å; N142-Y144 PolarHBondContact O-N 3.29Å; Y144-Y148 HydrophobicContact CD1-CD2 4.01Å; Y144-Y148 HydrophobicContact CD1-CE2 4.39Å; Y144-Y148 HydrophobicContact CD2-CE2 4.42Å; Y144-Y148 AromaticContact CE1-CD2 3.66Å; Y144-Y148 HydrophobicContact CE1-CD2 3.66Å; Y144-Y148 AromaticContact CE1-CE2 3.77Å; Y144-Y148 HydrophobicContact CE1-CE2 3.77Å; Y144-Y148 HydrophobicContact CE2-CD2 4.38Å; Y144-Y148 AromaticContact CE2-CE2 3.83Å; Y144-Y148 HydrophobicContact CE2-CE2 3.83Å; Y144-Y148 HydrophobicContact CG-CD2 4.48Å; Y144-Y148 AromaticContact CZ-CD2 3.87Å; Y144-Y148 AromaticContact CZ-CE2 3.45Å; Y144-Y148 VanDerWaalsContact CZ-CE2 3.45Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.27Å; Y144-Y148 PolarHBondContact O-N 2.87Å
145	T	56.4	Low	55.3	Low	63 Å²	63	69 Å²	69	39%	0.387	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-37.3	178.6	48.2	0	0	0	0	113.6	K141 N142 Y148 Q149	K141-T145 PolarHBondContact O-N 2.87Å; K141-T145 VanDerWaalsContact O-N 3.09Å; K141-T145 PolarHBondContact O-OG1 3.49Å; N142-T145 WeakPolarHBondContact CA-OG1 3.44Å; N142-T145 PolarHBondContact O-N 3.36Å; N142-T145 VanDerWaalsContact O-N 3.13Å; N142-T145 PolarHBondContact O-OG1 2.97Å; T145-Y148 PolarHBondContact O-N 3.28Å; T145-Q149 VanDerWaalsContact O-CG 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.38Å; T145-Q149 PolarHBondContact O-N 2.99Å
146	Q	55.6	Low	55.1	Low	123 Å²	123	68.2 Å²	68.2	58%	0.575	35%	0.346	S	S	*	.	H	α-helix	trans	-68.1	-43	176.5	-77.4	179.7	-23.9	0	0	111.3	N142 C143 Y148 Q149 C150	N142-Q146 PolarHBondContact O-N 2.86Å; C143-Q146 PolarHBondContact O-N 2.96Å; Q146-Y148 VanDerWaalsContact C-N 3.33Å; Q146-Y148 PolarHBondContact O-N 3.26Å; Q146-Q149 PolarHBondContact O-N 2.99Å; Q146-C150 PolarHBondContact O-N 2.89Å; Q146-C150 PolarHBondContact O-SG 2.94Å; Q146-C150 VanDerWaalsContact O-SG 3.38Å
147	F	58.9	Low	54.7	Low	22 Å²	22	69.2 Å²	69.2	10%	0.096	35%	0.347	C	S	.	.	H	α-helix	trans	-54	-48.7	173.1	174.1	-94.6	0	0	0	111.8	F117 F121 L124 C143 Q149 C150 H151	F117-F147 AromaticContact CD2-CD1 3.91Å; F117-F147 HydrophobicContact CD2-CD1 3.91Å; F117-F147 HydrophobicContact CD2-CE1 4.24Å; F117-F147 HydrophobicContact CE2-CB 4.1Å; F117-F147 AromaticContact CE2-CD1 3.47Å; F117-F147 HydrophobicContact CE2-CD1 3.47Å; F117-F147 VanDerWaalsContact CE2-CD1 3.47Å; F117-F147 HydrophobicContact CE2-CE1 4.09Å; F117-F147 AromaticContact CE2-CG 3.75Å; F117-F147 HydrophobicContact CE2-CG 3.75Å; F117-F147 HydrophobicContact CZ-CD1 4.47Å; F117-F147 HydrophobicContact CZ-CG 4.43Å; F121-F147 HydrophobicContact CB-CE2 4.32Å; F121-F147 HydrophobicContact CB-CZ 4.03Å; F121-F147 AromaticContact CD2-CD2 3.9Å; F121-F147 HydrophobicContact CD2-CD2 3.9Å; F121-F147 AromaticContact CD2-CE2 3.44Å; F121-F147 HydrophobicContact CD2-CE2 3.44Å; F121-F147 VanDerWaalsContact CD2-CE2 3.44Å; F121-F147 AromaticContact CD2-CZ 4Å; F121-F147 HydrophobicContact CD2-CZ 4Å; F121-F147 HydrophobicContact CE2-CD2 4.36Å; F121-F147 HydrophobicContact CE2-CE2 4.17Å; F121-F147 HydrophobicContact CG-CE2 4.26Å; F121-F147 HydrophobicContact CG-CZ 4.46Å; L124-F147 HydrophobicContact CB-CZ 4.47Å; L124-F147 HydrophobicContact CD2-CE2 3.73Å; L124-F147 HydrophobicContact CD2-CZ 4.3Å; C143-F147 PolarHBondContact O-N 3.5Å; F147-Q149 PolarHBondContact O-N 3.13Å; F147-C150 PolarHBondContact O-N 2.91Å; F147-H151 HydrophobicContact CE1-CB 4.11Å; F147-H151 HydrophobicContact CZ-CB 4.15Å; F147-H151 WeakPolarHBondContact O-CB 3.46Å; F147-H151 PolarHBondContact O-N 3.44Å
148	Y	59.7	Low	54.2	Low	51 Å²	51	68.3 Å²	68.3	20%	0.2	34%	0.344	C	S	.	.	H	α-helix	trans	-70.4	-30.4	-179.8	-86.3	-69.2	0	0	0	113.9	F117 D120 Y144 T145 Q146 H151 S152	F117-Y148 WeakPolarHBondContact CA-OH 3.39Å; F117-Y148 AromaticContact CD2-CE2 3.81Å; F117-Y148 HydrophobicContact CD2-CE2 3.81Å; F117-Y148 PolarHBondContact N-OH 3.47Å; D120-Y148 HydrophobicContact CB-CE1 4.48Å; Y144-Y148 HydrophobicContact CD1-CD2 4.01Å; Y144-Y148 HydrophobicContact CD1-CE2 4.39Å; Y144-Y148 HydrophobicContact CD2-CE2 4.42Å; Y144-Y148 AromaticContact CE1-CD2 3.66Å; Y144-Y148 HydrophobicContact CE1-CD2 3.66Å; Y144-Y148 AromaticContact CE1-CE2 3.77Å; Y144-Y148 HydrophobicContact CE1-CE2 3.77Å; Y144-Y148 HydrophobicContact CE2-CD2 4.38Å; Y144-Y148 AromaticContact CE2-CE2 3.83Å; Y144-Y148 HydrophobicContact CE2-CE2 3.83Å; Y144-Y148 HydrophobicContact CG-CD2 4.48Å; Y144-Y148 AromaticContact CZ-CD2 3.87Å; Y144-Y148 AromaticContact CZ-CE2 3.45Å; Y144-Y148 VanDerWaalsContact CZ-CE2 3.45Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.27Å; Y144-Y148 PolarHBondContact O-N 2.87Å; T145-Y148 PolarHBondContact O-N 3.28Å; Q146-Y148 VanDerWaalsContact C-N 3.33Å; Q146-Y148 PolarHBondContact O-N 3.26Å; Y148-H151 AromaticContact CD1-ND1 3.8Å; Y148-H151 AromaticContact CE1-ND1 3.95Å; Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.32Å; Y148-S152 PolarHBondContact O-N 3.2Å; Y148-S152 PolarHBondContact O-OG 3.24Å
149	Q	53.9	Low	53.7	Low	121 Å²	121	70.9 Å²	70.9	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-51.6	168.8	-73.9	167.9	6.8	0	0	110.4	T145 Q146 F147 S152 L153	T145-Q149 VanDerWaalsContact O-CG 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.38Å; T145-Q149 PolarHBondContact O-N 2.99Å; Q146-Q149 PolarHBondContact O-N 2.99Å; F147-Q149 PolarHBondContact O-N 3.13Å; Q149-S152 PolarHBondContact O-N 2.97Å; Q149-S152 PolarHBondContact O-OG 3.1Å; Q149-L153 WeakPolarHBondContact O-CG 3.35Å; Q149-L153 PolarHBondContact O-N 2.76Å; Q149-L153 VanDerWaalsContact O-N 3.07Å
150	C	49.6	Very low	52.7	Low	77 Å²	77	78.8 Å²	78.8	52%	0.52	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-45.7	177.2	-66	0	0	0	0	112.9	Q146 F147 S152 L153 L154	Q146-C150 PolarHBondContact O-N 2.89Å; Q146-C150 PolarHBondContact O-SG 2.94Å; Q146-C150 VanDerWaalsContact O-SG 3.38Å; F147-C150 PolarHBondContact O-N 2.91Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.43Å; C150-L153 PolarHBondContact O-N 3.49Å; C150-L153 VanDerWaalsContact O-N 3.16Å; C150-L154 PolarHBondContact O-N 2.68Å
151	H	52.8	Low	51.4	Low	13 Å²	13	80.9 Å²	80.9	6%	0.06	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-36.2	175.9	166.2	-107.4	0	0	0	112.3	D120 L124 F147 Y148 L154 R155	D120-H151 IonicContact OD2-CE1 3.8Å; D120-H151 PolarHBondContact OD2-CE1 2.95Å; D120-H151 VanDerWaalsContact OD2-CE1 3.27Å; D120-H151 IonicContact OD2-NE2 3.02Å; L124-H151 HydrophobicContact CD1-CB 3.93Å; F147-H151 HydrophobicContact CE1-CB 4.11Å; F147-H151 HydrophobicContact CZ-CB 4.15Å; F147-H151 WeakPolarHBondContact O-CB 3.46Å; F147-H151 PolarHBondContact O-N 3.44Å; Y148-H151 AromaticContact CD1-ND1 3.8Å; Y148-H151 AromaticContact CE1-ND1 3.95Å; H151-L154 PolarHBondContact O-N 3.36Å; H151-R155 PolarHBondContact CE1-NE 3.15Å; H151-R155 VanDerWaalsContact CE1-NE 3.32Å; H151-R155 PolarHBondContact CE1-NH2 3.39Å; H151-R155 PolarHBondContact NE2-NE 2.86Å; H151-R155 PolarHBondContact NE2-NH2 3.3Å; H151-R155 PolarHBondContact O-N 3.35Å
152	S	53.7	Low	50.6	Low	60 Å²	60	78.3 Å²	78.3	42%	0.42	39%	0.392	S	S	.	.	H	α-helix	trans	-66	-37.9	173.8	79.3	0	0	0	0	112.4	Y148 Q149 C150 S156	Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.32Å; Y148-S152 PolarHBondContact O-N 3.2Å; Y148-S152 PolarHBondContact O-OG 3.24Å; Q149-S152 PolarHBondContact O-N 2.97Å; Q149-S152 PolarHBondContact O-OG 3.1Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.43Å; S152-S156 WeakPolarHBondContact O-CB 3.2Å; S152-S156 PolarHBondContact O-N 3.02Å; S152-S156 PolarHBondContact O-OG 2.7Å
153	L	50.8	Low	49.9	Very low	116 Å²	116	78.1 Å²	78.1	61%	0.607	40%	0.395	S	S	*	.	H	α-helix	trans	-69.7	-42.3	175.2	-68.3	170.4	0	0	0	111.2	Q149 C150 S156 F157	Q149-L153 WeakPolarHBondContact O-CG 3.35Å; Q149-L153 PolarHBondContact O-N 2.76Å; Q149-L153 VanDerWaalsContact O-N 3.07Å; C150-L153 PolarHBondContact O-N 3.49Å; C150-L153 VanDerWaalsContact O-N 3.16Å; L153-S156 CarbonylContact O-C 3.55Å; L153-S156 PolarHBondContact O-N 2.94Å; L153-F157 WeakPolarHBondContact O-CB 3.18Å; L153-F157 PolarHBondContact O-N 3.06Å
154	L	48.9	Very low	48.6	Very low	78 Å²	78	81.8 Å²	81.8	41%	0.408	42%	0.421	S	S	.	.	H	α-helix	trans	-67.4	-43	178.9	-137.8	76.4	0	0	0	111.9	L124 C150 H151 S156 F157 L158	L124-L154 HydrophobicContact CD1-CB 3.83Å; L124-L154 HydrophobicContact CD1-CD2 3.48Å; L124-L154 VanDerWaalsContact CD1-CD2 3.48Å; L124-L154 HydrophobicContact CD1-CG 4.28Å; L124-L154 HydrophobicContact CG-CD2 3.86Å; C150-L154 PolarHBondContact O-N 2.68Å; H151-L154 PolarHBondContact O-N 3.36Å; L154-S156 PolarHBondContact O-N 3.43Å; L154-F157 WeakPolarHBondContact O-CB 3.21Å; L154-F157 PolarHBondContact O-N 3.49Å; L154-F157 VanDerWaalsContact O-N 3.13Å; L154-L158 WeakPolarHBondContact O-CG 3.25Å; L154-L158 PolarHBondContact O-N 3.17Å
155	R	50.7	Low	47.3	Very low	109 Å²	109	85.4 Å²	85.4	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-60.3	-45	169.4	-78	-160.2	-168.7	172	9	111.8	D120 H151 F157 L158 Q159	D120-R155 VanDerWaalsContact CG-NH2 3.31Å; D120-R155 IonicContact OD1-NH2 2.75Å; D120-R155 PolarHBondContact OD1-NH2 3.42Å; D120-R155 IonicContact OD2-NH2 3.83Å; D120-R155 PolarHBondContact OD2-NH2 2.94Å; H151-R155 PolarHBondContact CE1-NE 3.15Å; H151-R155 VanDerWaalsContact CE1-NE 3.32Å; H151-R155 PolarHBondContact CE1-NH2 3.39Å; H151-R155 PolarHBondContact NE2-NE 2.86Å; H151-R155 PolarHBondContact NE2-NH2 3.3Å; H151-R155 PolarHBondContact O-N 3.35Å; R155-F157 PolarHBondContact O-N 3Å; R155-L158 PolarHBondContact O-N 3.32Å; R155-Q159 VanDerWaalsContact O-CB 3.31Å; R155-Q159 WeakPolarHBondContact O-CB 3.31Å; R155-Q159 VanDerWaalsContact O-CG 3.32Å; R155-Q159 WeakPolarHBondContact O-CG 3.48Å; R155-Q159 PolarHBondContact O-N 2.82Å
156	S	45.8	Very low	46.2	Very low	52 Å²	52	87.7 Å²	87.7	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-16.1	177.1	-59	0	0	0	0	113.1	S152 L153 L154 R160	S152-S156 WeakPolarHBondContact O-CB 3.2Å; S152-S156 PolarHBondContact O-N 3.02Å; S152-S156 PolarHBondContact O-OG 2.7Å; L153-S156 CarbonylContact O-C 3.55Å; L153-S156 PolarHBondContact O-N 2.94Å; L154-S156 PolarHBondContact O-N 3.43Å; S156-R160 PolarHBondContact O-NE 2.87Å; S156-R160 PolarHBondContact O-NH2 3.36Å
157	F	43.4	Very low	45	Very low	64 Å²	64	84.8 Å²	84.8	28%	0.281	48%	0.479	S	S	.	.	H	α-helix	trans	-86.7	-52.6	172.2	-177.8	-100	0	0	0	110.7	L153 L154 R155 Q159 R160 V161 L203	L153-F157 WeakPolarHBondContact O-CB 3.18Å; L153-F157 PolarHBondContact O-N 3.06Å; L154-F157 WeakPolarHBondContact O-CB 3.21Å; L154-F157 PolarHBondContact O-N 3.49Å; L154-F157 VanDerWaalsContact O-N 3.13Å; R155-F157 PolarHBondContact O-N 3Å; F157-Q159 VanDerWaalsContact C-N 3.29Å; F157-Q159 PolarHBondContact O-N 2.82Å; F157-R160 WeakPolarHBondContact O-CA 3.34Å; F157-R160 PolarHBondContact O-N 2.99Å; F157-V161 HydrophobicContact CD1-CG2 4.09Å; F157-V161 HydrophobicContact CE1-CG2 3.64Å; F157-V161 HydrophobicContact CE2-CG2 4.14Å; F157-V161 HydrophobicContact CZ-CG2 3.65Å; F157-V161 PolarHBondContact O-N 3.27Å; F157-L203 HydrophobicContact CE1-CD1 3.56Å; F157-L203 HydrophobicContact CE1-CD2 4.15Å; F157-L203 HydrophobicContact CE2-CD1 4.34Å; F157-L203 HydrophobicContact CZ-CD1 3.42Å; F157-L203 VanDerWaalsContact CZ-CD1 3.42Å
158	L	46.3	Very low	43.8	Very low	80 Å²	80	92.3 Å²	92.3	42%	0.419	51%	0.514	S	S	.	.	H	α-helix	trans	-54.9	-42.2	175.6	-69	167.1	0	0	0	112	L154 R155 R160 V161 N162	L154-L158 WeakPolarHBondContact O-CG 3.25Å; L154-L158 PolarHBondContact O-N 3.17Å; R155-L158 PolarHBondContact O-N 3.32Å; L158-R160 PolarHBondContact O-N 3.24Å; L158-V161 PolarHBondContact O-N 2.8Å; L158-N162 WeakPolarHBondContact O-CB 3.28Å; L158-N162 VanDerWaalsContact O-CG 3.25Å; L158-N162 PolarHBondContact O-N 3.29Å; L158-N162 PolarHBondContact O-OD1 3.43Å
159	Q	46.2	Very low	42.4	Very low	133 Å²	133	101.5 Å²	101.5	62%	0.621	55%	0.549	S	S	*	.	H	α-helix	trans	-66	-18.4	174.4	-74	-179.7	-30.4	0	0	114.4	R155 F157 V163	R155-Q159 VanDerWaalsContact O-CB 3.31Å; R155-Q159 WeakPolarHBondContact O-CB 3.31Å; R155-Q159 VanDerWaalsContact O-CG 3.32Å; R155-Q159 WeakPolarHBondContact O-CG 3.48Å; R155-Q159 PolarHBondContact O-N 2.82Å; F157-Q159 VanDerWaalsContact C-N 3.29Å; F157-Q159 PolarHBondContact O-N 2.82Å; Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.27Å
160	R	39.5	Very low	41.1	Very low	171 Å²	171	104.4 Å²	104.4	65%	0.645	56%	0.559	S	S	*	*	H	α-helix	trans	-93.3	-28.7	173.3	-82.7	-179.1	-71.3	163.9	2.6	113	S156 F157 L158	S156-R160 PolarHBondContact O-NE 2.87Å; S156-R160 PolarHBondContact O-NH2 3.36Å; F157-R160 WeakPolarHBondContact O-CA 3.34Å; F157-R160 PolarHBondContact O-N 2.99Å; L158-R160 PolarHBondContact O-N 3.24Å
161	V	38.9	Very low	40.1	Very low	51 Å²	51	107 Å²	107	31%	0.309	58%	0.575	S	S	.	*	H	α-helix	trans	-77.9	-36.7	175.4	179.3	0	0	0	0	111.2	F157 L158 V163 I193	F157-V161 HydrophobicContact CD1-CG2 4.09Å; F157-V161 HydrophobicContact CE1-CG2 3.64Å; F157-V161 HydrophobicContact CE2-CG2 4.14Å; F157-V161 HydrophobicContact CZ-CG2 3.65Å; F157-V161 PolarHBondContact O-N 3.27Å; L158-V161 PolarHBondContact O-N 2.8Å; V161-V163 VanDerWaalsContact C-N 3.26Å; V161-V163 PolarHBondContact O-N 3.49Å; V161-I193 HydrophobicContact CG1-CD1 3.72Å
162	N	38.7	Very low	38.8	Very low	79 Å²	79	112.6 Å²	112.6	42%	0.422	61%	0.614	S	S	.	*	S	Bend	trans	-76.4	-8.7	179.1	-66	8.1	0	0	0	113.8	L158 S164 L192	L158-N162 WeakPolarHBondContact O-CB 3.28Å; L158-N162 VanDerWaalsContact O-CG 3.25Å; L158-N162 PolarHBondContact O-N 3.29Å; L158-N162 PolarHBondContact O-OD1 3.43Å; N162-S164 PolarHBondContact O-N 2.9Å; N162-L192 WeakPolarHBondContact ND2-CD2 3.29Å
163	V	38.6	Very low	37.6	Very low	112 Å²	112	115.6 Å²	115.6	68%	0.679	63%	0.63	S	S	*	*	S	Bend	trans	-94.4	80.6	170.1	178.9	0	0	0	0	108.1	Q159 V161	Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.27Å; V161-V163 VanDerWaalsContact C-N 3.26Å; V161-V163 PolarHBondContact O-N 3.49Å
164	S	30.6	Very low	36.5	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	64%	0.642	S	S	*	*			trans	-60.2	144.3	174.1	-61.1	0	0	0	0	111.2	N162 A166	N162-S164 PolarHBondContact O-N 2.9Å; S164-A166 PolarHBondContact O-N 2.76Å
165	P	35.1	Very low	35.5	Very low	127 Å²	127	122.3 Å²	122.3	83%	0.825	66%	0.663	S	S	*	*			trans	-65.6	119.6	178.1	-18.1	31.1	0	0	0	110.8	G167	P165-G167 PolarHBondContact O-N 3.2Å
166	A	33.2	Very low	34.4	Very low	110 Å²	110	120.2 Å²	120.2	91%	0.909	68%	0.675	S	S	*	*			trans	-72.8	68.1	172.8	0	0	0	0	0	111.2	S164	S164-A166 PolarHBondContact O-N 2.76Å
167	G	30.5	Very low	33.5	Very low	63 Å²	63	125 Å²	125	65%	0.649	70%	0.701	S	S	*	*			trans	-71.5	130.7	173.8	0	0	0	0	0	111.1	P165 R169	P165-G167 PolarHBondContact O-N 3.2Å; G167-R169 PolarHBondContact O-N 3.27Å
168	Q	33.5	Very low	32.9	Very low	180 Å²	180	129.9 Å²	129.9	84%	0.841	73%	0.725	S	S	*	*			trans	-60.5	136.1	-174.3	-63.6	-177.5	-5.3	0	0	112.9
169	R	29.6	Very low	32.6	Very low	244 Å²	244	130.6 Å²	130.6	92%	0.921	74%	0.735	S	S	*	*			trans	-125.9	125.1	150.9	-72.9	-167.2	173.6	-157.3	-1.4	108.9	G167	G167-R169 PolarHBondContact O-N 3.27Å
170	K	27.3	Very low	32.2	Very low	182 Å²	182	130 Å²	130	79%	0.791	74%	0.742	S	S	*	*			trans	-73.4	139.2	171.8	-66.5	179.5	177.7	-179.8	0	109
171	P	28.1	Very low	31.5	Very low	132 Å²	132	127.6 Å²	127.6	86%	0.857	75%	0.747	S	S	*	*			trans	-65	143	164.6	-14.5	29.1	0	0	0	109.9
172	C	26.4	Very low	30.9	Very low	130 Å²	130	131.3 Å²	131.3	88%	0.878	77%	0.769	S	S	*	*			trans	-119.7	136.8	164.8	-166.4	0	0	0	0	108.8
173	T	26.5	Very low	30.5	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	78%	0.781	S	S	*	*			trans	-79.9	136	-164	-40.9	0	0	0	0	112.8
174	K	29.5	Very low	30	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.857	79%	0.788	S	S	*	*			trans	-168.2	106.8	135.1	-106.8	160.6	-172.6	-177.7	0	114
175	V	27.6	Very low	29.9	Very low	139 Å²	139	139.5 Å²	139.5	84%	0.842	80%	0.801	S	S	*	*			trans	30.4	124.1	130.2	-173.9	0	0	0	0	118.9
176	G	26.2	Very low	29.5	Very low	65 Å²	65	137 Å²	137	67%	0.67	80%	0.799	S	S	*	*			trans	146.8	108.4	132.6	0	0	0	0	0	118.7
177	V	26.9	Very low	29.2	Very low	151 Å²	151	136 Å²	136	92%	0.915	79%	0.79	S	S	*	*			trans	87.3	147.1	160.5	-170.9	0	0	0	0	117
178	Q	30.8	Very low	29	Very low	167 Å²	167	139.2 Å²	139.2	78%	0.78	80%	0.802	S	S	*	*			trans	-140.4	179.8	-162.5	-106.7	-70.3	67.6	0	0	110
179	P	40.4	Very low	28.8	Very low	96 Å²	96	138.9 Å²	138.9	62%	0.623	80%	0.802	S	S	*	*			trans	-109.5	-166.4	-130.8	41.5	-27.7	0	0	0	114
180	P	37.4	Very low	28.9	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	79%	0.792	S	S	*	*				-138.8	159.5	97.7	37.8	-25.1	0	0	0	117.2
181	T	25.2	Very low	29.2	Very low	122 Å²	122	130 Å²	130	75%	0.748	79%	0.793	S	S	*	*			trans	-20	151.5	160.9	53.4	0	0	0	0	118.2
182	V	26.6	Very low	29.8	Very low	128 Å²	128	128 Å²	128	78%	0.776	78%	0.775	S	S	*	*				-157.8	132.8	60.1	164	0	0	0	0	114.1
183	A	31.1	Very low	30.4	Very low	81 Å²	81	126 Å²	126	67%	0.669	76%	0.755	S	S	*	*			trans	44.2	153.7	144.7	0	0	0	0	0	126.3
184	E	27.1	Very low	31.2	Very low	179 Å²	179	125.1 Å²	125.1	84%	0.836	75%	0.749	S	S	*	*			trans	75.8	148.4	164.4	-55.3	-47.3	98.5	0	0	122.2
185	E	29.1	Very low	31.6	Very low	195 Å²	195	120 Å²	120	91%	0.911	74%	0.738	S	S	*	*			trans	-107.9	156	-157.5	-55.5	-170.6	115.8	0	0	114.8
186	G	26.1	Very low	32	Very low	75 Å²	75	115.2 Å²	115.2	77%	0.773	71%	0.711	S	S	*	*			trans	-166.5	48.8	-175.1	0	0	0	0	0	117
187	A	26.5	Very low	32.8	Very low	88 Å²	88	117.1 Å²	117.1	73%	0.727	71%	0.711	S	S	*	*			trans	16.7	100.4	165.9	0	0	0	0	0	119.3	M189	A187-M189 PolarHBondContact O-N 2.98Å
188	C	26.3	Very low	33.4	Very low	132 Å²	132	119.9 Å²	119.9	89%	0.892	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.7	167.4	-60.6	0	0	0	0	111.9
189	M	30.1	Very low	33.8	Very low	173 Å²	173	114.6 Å²	114.6	85%	0.852	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.6	133.8	166.4	-78.7	-71.5	104.7	0	0	110.5	A187	A187-M189 PolarHBondContact O-N 2.98Å
190	A	32	Very low	34	Very low	85 Å²	85	114.2 Å²	114.2	70%	0.702	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-90.5	123.2	177	0	0	0	0	0	110.8	L192	A190-L192 PolarHBondContact O-N 3.21Å; A190-L192 VanDerWaalsContact O-N 3.09Å
191	D	34	Very low	34.3	Very low	154 Å²	154	115.7 Å²	115.7	82%	0.824	67%	0.674	S	S	*	*			trans	-60.3	110.8	173.7	-84.4	-59.8	0	0	0	111.4
192	L	40	Very low	35.1	Very low	90 Å²	90	113.9 Å²	113.9	47%	0.471	67%	0.667	S	S	.	*			trans	-88.3	147.5	173	-72.3	172.5	0	0	0	110.7	N162 A190 T194 S195	N162-L192 WeakPolarHBondContact ND2-CD2 3.29Å; A190-L192 PolarHBondContact O-N 3.21Å; A190-L192 VanDerWaalsContact O-N 3.09Å; L192-T194 PolarHBondContact O-N 3.2Å; L192-T194 PolarHBondContact O-OG1 2.88Å; L192-S195 PolarHBondContact O-N 3.3Å; L192-S195 PolarHBondContact O-OG 3.4Å
193	I	40.1	Very low	36	Very low	89 Å²	89	110.7 Å²	110.7	46%	0.456	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-60.3	-6	-168.4	-68.3	158.1	0	0	0	114.4	V161 S195 C199	V161-I193 HydrophobicContact CG1-CD1 3.72Å; I193-S195 PolarHBondContact O-N 2.87Å; I193-C199 HydrophobicContact CG2-CB 3.81Å
194	T	41.8	Very low	36.7	Very low	103 Å²	103	110.7 Å²	110.7	63%	0.632	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-60.8	-15.8	173.1	39.5	0	0	0	0	115.2	L192	L192-T194 PolarHBondContact O-N 3.2Å; L192-T194 PolarHBondContact O-OG1 2.88Å
195	S	38.8	Very low	37.4	Very low	88 Å²	88	103.9 Å²	103.9	62%	0.615	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-84.6	-7.9	-178	55.1	0	0	0	0	115.5	L192 I193	L192-S195 PolarHBondContact O-N 3.3Å; L192-S195 PolarHBondContact O-OG 3.4Å; I193-S195 PolarHBondContact O-N 2.87Å
196	S	36.7	Very low	38.3	Very low	39 Å²	39	101.6 Å²	101.6	27%	0.273	60%	0.598	S	S	.	*			trans	-107.1	112.3	-176.1	177	0	0	0	0	112.8	R198 C199 L200	S196-R198 PolarHBondContact O-N 3.01Å; S196-C199 PolarHBondContact O-N 2.8Å; S196-C199 PolarHBondContact OG-SG 3.19Å; S196-L200 PolarHBondContact O-N 3.45Å
197	P	41.7	Very low	39.1	Very low	105 Å²	105	101.7 Å²	101.7	68%	0.682	58%	0.583	S	S	*	*	H	α-helix	trans	-57.8	-31.8	176.2	-26.6	35.2	0	0	0	113.4	L200 H201	P197-L200 PolarHBondContact O-N 3.38Å; P197-H201 WeakPolarHBondContact O-CB 3.25Å; P197-H201 PolarHBondContact O-N 2.86Å
198	R	38.9	Very low	39.8	Very low	210 Å²	210	101.4 Å²	101.4	79%	0.792	57%	0.566	S	S	*	*	H	α-helix	trans	-66.5	-38.8	176.5	-69.2	-177.6	176.9	175.9	-0.6	112	S196 H201 S202	S196-R198 PolarHBondContact O-N 3.01Å; R198-H201 PolarHBondContact O-N 2.89Å; R198-S202 PolarHBondContact O-N 2.97Å; R198-S202 PolarHBondContact O-OG 3.38Å
199	C	40.8	Very low	40.5	Very low	56 Å²	56	101.5 Å²	101.5	38%	0.378	55%	0.554	S	S	.	*	H	α-helix	trans	-67.2	-39.2	176.9	-64.7	0	0	0	0	111.7	I193 S196 L203	I193-C199 HydrophobicContact CG2-CB 3.81Å; S196-C199 PolarHBondContact O-N 2.8Å; S196-C199 PolarHBondContact OG-SG 3.19Å; C199-L203 WeakPolarHBondContact O-CB 3.49Å; C199-L203 PolarHBondContact O-N 2.84Å
200	L	44.1	Very low	41	Very low	88 Å²	88	99.3 Å²	99.3	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-42.2	172.6	-68.3	171	0	0	0	111.9	S196 P197 L203 V204	S196-L200 PolarHBondContact O-N 3.45Å; P197-L200 PolarHBondContact O-N 3.38Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.16Å; L200-V204 WeakPolarHBondContact O-CG2 3.35Å; L200-V204 PolarHBondContact O-N 2.85Å
201	H	43.4	Very low	41.2	Very low	149 Å²	149	97.9 Å²	97.9	69%	0.69	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-40.6	177.9	-161.7	-88.9	0	0	0	112.4	P197 R198 G205	P197-H201 WeakPolarHBondContact O-CB 3.25Å; P197-H201 PolarHBondContact O-N 2.86Å; R198-H201 PolarHBondContact O-N 2.89Å; H201-G205 PolarHBondContact O-N 3.43Å
202	S	42.8	Very low	41.4	Very low	85 Å²	85	94.6 Å²	94.6	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-66.1	-36.5	172.2	-67.2	0	0	0	0	112.9	R198 G205 W206	R198-S202 PolarHBondContact O-N 2.97Å; R198-S202 PolarHBondContact O-OG 3.38Å; S202-G205 PolarHBondContact O-N 3.28Å; S202-W206 WeakPolarHBondContact O-CB 3.38Å; S202-W206 PolarHBondContact O-N 3.14Å
203	L	44.6	Very low	41.4	Very low	61 Å²	61	97 Å²	97	32%	0.319	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-47.1	174.8	177.4	61.1	0	0	0	111.6	F157 C199 L200 W206 V207	F157-L203 HydrophobicContact CE1-CD1 3.56Å; F157-L203 HydrophobicContact CE1-CD2 4.15Å; F157-L203 HydrophobicContact CE2-CD1 4.34Å; F157-L203 HydrophobicContact CZ-CD1 3.42Å; F157-L203 VanDerWaalsContact CZ-CD1 3.42Å; C199-L203 WeakPolarHBondContact O-CB 3.49Å; C199-L203 PolarHBondContact O-N 2.84Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.16Å; L203-W206 PolarHBondContact O-N 2.92Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 3.16Å
204	V	45.9	Very low	41	Very low	80 Å²	80	96.7 Å²	96.7	49%	0.485	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-42.8	176.3	168.9	0	0	0	0	111	L200 V207 H208	L200-V204 WeakPolarHBondContact O-CG2 3.35Å; L200-V204 PolarHBondContact O-N 2.85Å; V204-V207 PolarHBondContact O-N 2.76Å; V204-H208 PolarHBondContact O-CD2 2.88Å; V204-H208 VanDerWaalsContact O-CD2 3.26Å; V204-H208 PolarHBondContact O-N 3.22Å
205	G	42.4	Very low	41	Very low	36 Å²	36	96 Å²	96	37%	0.371	56%	0.556	S	S	.	*	H	α-helix	trans	-58.4	-47.6	173.9	0	0	0	0	0	113	H201 S202 V207 H208 E209	H201-G205 PolarHBondContact O-N 3.43Å; S202-G205 PolarHBondContact O-N 3.28Å; G205-V207 PolarHBondContact O-N 2.89Å; G205-H208 PolarHBondContact O-N 3.22Å; G205-E209 PolarHBondContact O-N 3.47Å
206	W	46.6	Very low	40.8	Very low	148 Å²	148	96 Å²	96	56%	0.561	56%	0.556	S	S	*	*	H	α-helix	trans	-63	-39.1	177.4	-176.1	83.5	0	0	0	112.6	S202 L203 E209 H210	S202-W206 WeakPolarHBondContact O-CB 3.38Å; S202-W206 PolarHBondContact O-N 3.14Å; L203-W206 PolarHBondContact O-N 2.92Å; W206-E209 PolarHBondContact O-N 3.12Å; W206-H210 VanDerWaalsContact O-CB 3.32Å; W206-H210 WeakPolarHBondContact O-CB 3.27Å; W206-H210 PolarHBondContact O-N 3.24Å
207	V	43.1	Very low	40.5	Very low	77 Å²	77	102.2 Å²	102.2	47%	0.467	58%	0.584	S	S	.	*	H	α-helix	trans	-65	-40.7	174.2	170.8	0	0	0	0	111.3	L203 V204 G205 H210 A211	L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 3.16Å; V204-V207 PolarHBondContact O-N 2.76Å; G205-V207 PolarHBondContact O-N 2.89Å; V207-H210 PolarHBondContact O-N 2.94Å; V207-A211 VanDerWaalsContact O-CB 3.25Å; V207-A211 WeakPolarHBondContact O-CB 3.5Å; V207-A211 PolarHBondContact O-N 3.41Å
208	H	42.7	Very low	40.3	Very low	81 Å²	81	102.5 Å²	102.5	38%	0.375	59%	0.587	S	S	.	*	H	α-helix	trans	-64.5	-43.1	174.4	-83.1	-66	0	0	0	112.9	V204 G205 H210 A211 A212	V204-H208 PolarHBondContact O-CD2 2.88Å; V204-H208 VanDerWaalsContact O-CD2 3.26Å; V204-H208 PolarHBondContact O-N 3.22Å; G205-H208 PolarHBondContact O-N 3.22Å; H208-H210 VanDerWaalsContact C-N 3.34Å; H208-A211 PolarHBondContact O-N 3.31Å; H208-A212 WeakPolarHBondContact O-CB 3.23Å; H208-A212 PolarHBondContact O-N 3.22Å
209	E	40.6	Very low	40	Very low	134 Å²	134	98.2 Å²	98.2	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-68	-34.2	178.4	-169.5	176.4	-170.3	0	0	112.2	G205 W206 N213	G205-E209 PolarHBondContact O-N 3.47Å; W206-E209 PolarHBondContact O-N 3.12Å; E209-N213 PolarHBondContact O-ND2 3.2Å
210	H	39.8	Very low	39.6	Very low	128 Å²	128	100.6 Å²	100.6	59%	0.593	60%	0.597	S	S	*	*	H	α-helix	trans	-70.3	-38.9	172.2	-164.5	65	0	0	0	112.2	W206 V207 H208 N213	W206-H210 VanDerWaalsContact O-CB 3.32Å; W206-H210 WeakPolarHBondContact O-CB 3.27Å; W206-H210 PolarHBondContact O-N 3.24Å; V207-H210 PolarHBondContact O-N 2.94Å; H208-H210 VanDerWaalsContact C-N 3.34Å; H210-N213 PolarHBondContact O-N 2.95Å
211	A	36.3	Very low	39.3	Very low	54 Å²	54	105.1 Å²	105.1	45%	0.446	62%	0.616	S	S	.	*	H	α-helix	trans	-68.8	-38.7	176.3	0	0	0	0	0	112.7	V207 H208 N213 C214	V207-A211 VanDerWaalsContact O-CB 3.25Å; V207-A211 WeakPolarHBondContact O-CB 3.5Å; V207-A211 PolarHBondContact O-N 3.41Å; H208-A211 PolarHBondContact O-N 3.31Å; A211-N213 PolarHBondContact O-N 3.44Å; A211-C214 WeakPolarHBondContact O-CA 3.3Å; A211-C214 VanDerWaalsContact O-CB 3.29Å; A211-C214 WeakPolarHBondContact O-CB 3.48Å; A211-C214 PolarHBondContact O-N 3.24Å
212	A	39	Very low	38.8	Very low	86 Å²	86	105.4 Å²	105.4	71%	0.711	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-26.1	177.4	0	0	0	0	0	113.3	H208 C214	H208-A212 WeakPolarHBondContact O-CB 3.23Å; H208-A212 PolarHBondContact O-N 3.22Å; A212-C214 VanDerWaalsContact C-N 3.32Å
213	N	39.8	Very low	38.4	Very low	139 Å²	139	106.8 Å²	106.8	74%	0.743	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	4.9	173.3	-72.6	-59.4	0	0	0	113.6	E209 H210 A211	E209-N213 PolarHBondContact O-ND2 3.2Å; H210-N213 PolarHBondContact O-N 2.95Å; A211-N213 PolarHBondContact O-N 3.44Å
214	C	32.2	Very low	37.8	Very low	84 Å²	84	110.7 Å²	110.7	57%	0.568	64%	0.636	S	S	*	*	S	Bend	trans	-104.3	114.5	176.2	-157.2	0	0	0	0	109.8	A211 A212 S216	A211-C214 WeakPolarHBondContact O-CA 3.3Å; A211-C214 VanDerWaalsContact O-CB 3.29Å; A211-C214 WeakPolarHBondContact O-CB 3.48Å; A211-C214 PolarHBondContact O-N 3.24Å; A212-C214 VanDerWaalsContact C-N 3.32Å; C214-S216 PolarHBondContact O-N 3.1Å
215	G	40.8	Very low	37.1	Very low	89 Å²	89	111.7 Å²	111.7	92%	0.918	65%	0.647	S	S	*	*	S	Bend	trans	-74.2	40.4	-164.9	0	0	0	0	0	117.6
216	S	34.2	Very low	36.6	Very low	88 Å²	88	114.6 Å²	114.6	62%	0.615	66%	0.662	S	S	*	*	S	Bend	trans	-156.5	124.9	175.4	60	0	0	0	0	114.2	C214	C214-S216 PolarHBondContact O-N 3.1Å
217	L	31.8	Very low	35.9	Very low	168 Å²	168	114.7 Å²	114.7	88%	0.88	67%	0.668	S	S	*	*	S	Bend	trans	73.9	152.3	169.4	-99.9	78.1	0	0	0	116.9
218	P	35.6	Very low	35.4	Very low	112 Å²	112	120.2 Å²	120.2	73%	0.727	68%	0.682	S	S	*	*				-120.5	-176	-97.1	36.3	-22.7	0	0	0	115.2	L220	P218-L220 PolarHBondContact O-N 3.13Å
219	S	34.1	Very low	34.9	Very low	119 Å²	119	122.3 Å²	122.3	83%	0.832	70%	0.704	S	S	*	*			trans	-68.4	115.7	-167.8	51	0	0	0	0	115.1
220	L	32.8	Very low	34.8	Very low	107 Å²	107	119.7 Å²	119.7	56%	0.56	71%	0.714	S	S	*	*			trans	-86.5	100.5	163.4	-92.9	159.9	0	0	0	110.4	P218 W236	P218-L220 PolarHBondContact O-N 3.13Å; L220-W236 HydrophobicContact CD2-CE3 4.43Å
221	Q	36.4	Very low	34.7	Very low	182 Å²	182	117.7 Å²	117.7	85%	0.85	71%	0.707	S	S	*	*			trans	-81.2	120	167.9	-175.1	166.7	-20.8	0	0	109.3
222	R	34.3	Very low	34.7	Very low	156 Å²	156	121.1 Å²	121.1	59%	0.589	72%	0.716	S	S	*	*			trans	-107.7	117.9	-173.6	-176.7	-170.1	-64.7	119	-2.5	110.7	L224	R222-L224 HydrophobicContact CG-CG 4.22Å
223	T	32.6	Very low	34.5	Very low	114 Å²	114	121.9 Å²	121.9	70%	0.699	71%	0.705	S	S	*	*			trans	-109.9	115.1	166.4	-53.7	0	0	0	0	108.3
224	L	32.6	Very low	34.5	Very low	142 Å²	142	116.4 Å²	116.4	74%	0.743	68%	0.679	S	S	*	*			trans	-96.1	99.2	170.6	-71.3	174.5	0	0	0	108.1	R222	R222-L224 HydrophobicContact CG-CG 4.22Å
225	S	30.9	Very low	34.7	Very low	101 Å²	101	115.6 Å²	115.6	71%	0.706	67%	0.671	S	S	*	*			trans	-76.7	124	166.7	45.6	0	0	0	0	109.4
226	S	33.3	Very low	34.8	Very low	98 Å²	98	116.9 Å²	116.9	69%	0.685	65%	0.649	S	S	*	*			trans	-91.2	162.6	-173.8	50.8	0	0	0	0	113.6
227	E	31.5	Very low	34.8	Very low	150 Å²	150	115.4 Å²	115.4	70%	0.701	65%	0.647	S	S	*	*			trans	68.1	122.2	157.7	-83.2	172.2	-140	0	0	116.2
228	Y	31.3	Very low	35.1	Very low	192 Å²	192	109.8 Å²	109.8	75%	0.753	62%	0.621	S	S	*	*	S	Bend	cis	-142.1	179.3	29.2	-100.4	-92.5	0	0	0	113.4
229	C	32.2	Very low	35	Very low	125 Å²	125	111.4 Å²	111.4	85%	0.845	62%	0.624	S	S	*	*	S	Bend	trans	68.5	30.3	164	-60.4	0	0	0	0	118.3	I231	C229-I231 PolarHBondContact O-N 3.09Å
230	G	39.6	Very low	35	Very low	80 Å²	80	112.7 Å²	112.7	83%	0.825	62%	0.617	S	S	*	*	S	Bend	trans	83.5	-9.3	152.9	0	0	0	0	0	117.9
231	I	36.9	Very low	35	Very low	86 Å²	86	110.7 Å²	110.7	44%	0.441	62%	0.622	S	S	.	*			trans	-82.5	130.1	172.2	-62.2	171.7	0	0	0	108.9	C229 Q233 D249	C229-I231 PolarHBondContact O-N 3.09Å; I231-Q233 PolarHBondContact O-N 3.18Å; I231-D249 HydrophobicContact CD1-CB 4.42Å
232	I	36.8	Very low	34.9	Very low	126 Å²	126	107.5 Å²	107.5	65%	0.646	61%	0.607	S	S	*	*			trans	-92.1	92.6	172.6	-59.6	177.2	0	0	0	107.9	A234 T248	I232-A234 PolarHBondContact O-N 3Å; I232-T248 PolarHBondContact N-OG1 3.2Å
233	Q	35	Very low	34.7	Very low	101 Å²	101	105.7 Å²	105.7	47%	0.472	61%	0.609	S	S	.	*			trans	-74.4	115.1	172.2	-173.1	172.2	77.5	0	0	109.6	I231 V235 T245 D247	I231-Q233 PolarHBondContact O-N 3.18Å; Q233-V235 HydrophobicContact CG-CG2 4.13Å; Q233-T245 HydrophobicContact CG-CG2 3.62Å; Q233-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q233-D247 PolarHBondContact NE2-OD1 3.05Å
234	A	39.1	Very low	34.9	Very low	24 Å²	24	106.5 Å²	106.5	20%	0.198	60%	0.603	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	108.6	179.4	0	0	0	0	0	110.2	I232 W236 M246	I232-A234 PolarHBondContact O-N 3Å; A234-W236 HydrophobicContact CB-CZ2 3.74Å; A234-W236 PolarHBondContact O-NE1 3.45Å; A234-M246 PolarHBondContact N-O 3.34Å; A234-M246 VanDerWaalsContact N-O 3.08Å; A234-M246 PolarHBondContact O-N 3.45Å
235	V	37.6	Very low	35.1	Very low	68 Å²	68	103.1 Å²	103.1	41%	0.412	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	132.3	180	-170.7	0	0	0	0	110.4	Q233 F244 T245	Q233-V235 HydrophobicContact CG-CG2 4.13Å; V235-F244 WeakPolarHBondContact CA-O 3.12Å; V235-T245 HydrophobicContact CG2-CG2 4.26Å
236	W	42.4	Very low	35.4	Very low	116 Å²	116	103.9 Å²	103.9	44%	0.439	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129	128.6	-179.5	-36.9	85.4	0	0	0	110	L220 A234 F244	L220-W236 HydrophobicContact CD2-CE3 4.43Å; A234-W236 HydrophobicContact CB-CZ2 3.74Å; A234-W236 PolarHBondContact O-NE1 3.45Å; W236-F244 PolarHBondContact N-O 3.3Å; W236-F244 PolarHBondContact O-N 3.41Å
237	G	34.4	Very low	35.6	Very low	57 Å²	57	104 Å²	104	59%	0.588	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.4	146.2	177.3	0	0	0	0	0	112.8	H242	G237-H242 WeakPolarHBondContact CA-O 3.27Å
238	C	36.7	Very low	36.4	Very low	50 Å²	50	100.4 Å²	100.4	34%	0.338	56%	0.563	S	S	.	*			trans	-98.3	161	161.4	71.1	0	0	0	0	111.7	Q240 G241 H242	C238-Q240 PolarHBondContact O-N 2.92Å; C238-Q240 VanDerWaalsContact O-N 3.15Å; C238-G241 PolarHBondContact O-N 3.36Å; C238-H242 PolarHBondContact N-O 2.68Å; C238-H242 PolarHBondContact SG-N 2.73Å; C238-H242 VanDerWaalsContact SG-N 3.44Å; C238-H242 PolarHBondContact SG-ND1 3.26Å; C238-H242 VanDerWaalsContact SG-ND1 3.36Å
239	D	33.5	Very low	36.8	Very low	146 Å²	146	96.7 Å²	96.7	78%	0.781	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-24.4	174.8	63.3	-50.5	0	0	0	114	G241	D239-G241 VanDerWaalsContact C-N 3.26Å; D239-G241 PolarHBondContact O-N 3.46Å
240	Q	35.1	Very low	37.4	Very low	145 Å²	145	95.6 Å²	95.6	68%	0.678	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	8.4	174	-55.6	-61.5	-49.6	0	0	114.2	C238	C238-Q240 PolarHBondContact O-N 2.92Å; C238-Q240 VanDerWaalsContact O-N 3.15Å
241	G	32.8	Very low	37.3	Very low	66 Å²	66	97 Å²	97	68%	0.68	55%	0.547	S	S	*	.	S	Bend	trans	81.9	12.6	171.5	0	0	0	0	0	117	C238 D239	C238-G241 PolarHBondContact O-N 3.36Å; D239-G241 VanDerWaalsContact C-N 3.26Å; D239-G241 PolarHBondContact O-N 3.46Å
242	H	35	Very low	37.5	Very low	115 Å²	115	96.9 Å²	96.9	53%	0.532	55%	0.554	S	S	.	*			trans	-85.1	128.2	169.4	-51.1	100.6	0	0	0	110.7	G237 C238 F244	G237-H242 WeakPolarHBondContact CA-O 3.27Å; C238-H242 PolarHBondContact N-O 2.68Å; C238-H242 PolarHBondContact SG-N 2.73Å; C238-H242 VanDerWaalsContact SG-N 3.44Å; C238-H242 PolarHBondContact SG-ND1 3.26Å; C238-H242 VanDerWaalsContact SG-ND1 3.36Å; H242-F244 HydrophobicContact CB-CE2 3.76Å; H242-F244 HydrophobicContact CB-CZ 4.13Å
243	D	30.2	Very low	37.5	Very low	118 Å²	118	100.7 Å²	100.7	63%	0.631	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.6	134.1	173	58	-44.3	0	0	0	111.6
244	F	35.9	Very low	37.7	Very low	131 Å²	131	99.3 Å²	99.3	58%	0.575	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.8	101.1	179.9	-66.2	-83.5	0	0	0	109.9	V235 W236 H242	V235-F244 WeakPolarHBondContact CA-O 3.12Å; W236-F244 PolarHBondContact N-O 3.3Å; W236-F244 PolarHBondContact O-N 3.41Å; H242-F244 HydrophobicContact CB-CE2 3.76Å; H242-F244 HydrophobicContact CB-CZ 4.13Å
245	T	37.6	Very low	37.8	Very low	70 Å²	70	105.1 Å²	105.1	43%	0.429	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	125.5	175.6	-59.6	0	0	0	0	110.4	Q233 V235	Q233-T245 HydrophobicContact CG-CG2 3.62Å; V235-T245 HydrophobicContact CG2-CG2 4.26Å
246	M	36.1	Very low	37.9	Very low	117 Å²	117	108 Å²	108	58%	0.576	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.7	109.1	170.9	-174.8	178	-65	0	0	110	A234	A234-M246 PolarHBondContact N-O 3.34Å; A234-M246 VanDerWaalsContact N-O 3.08Å; A234-M246 PolarHBondContact O-N 3.45Å
247	D	37.8	Very low	38	Very low	101 Å²	101	107.8 Å²	107.8	54%	0.54	61%	0.612	S	S	.	*			trans	-89.1	131.7	171.4	-65.7	-40.5	0	0	0	110.6	Q233	Q233-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q233-D247 PolarHBondContact NE2-OD1 3.05Å
248	T	47.8	Very low	38	Very low	74 Å²	74	111.7 Å²	111.7	45%	0.454	62%	0.62	S	S	.	*			trans	-102	75.2	177.9	60.7	0	0	0	0	111.8	I232	I232-T248 PolarHBondContact N-OG1 3.2Å
249	D	40.9	Very low	38	Very low	114 Å²	114	114.2 Å²	114.2	61%	0.61	64%	0.637	S	S	*	*			trans	-165.4	153.2	153.6	-127.5	-26.2	0	0	0	116.1	I231	I231-D249 HydrophobicContact CD1-CB 4.42Å
250	S	43.1	Very low	38.2	Very low	102 Å²	102	110.8 Å²	110.8	71%	0.713	63%	0.63	S	S	*	*	S	Bend	trans	168.1	-41.1	147	-81.5	0	0	0	0	113.2	C252	S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 2.88Å
251	S	39.4	Very low	38.3	Very low	109 Å²	109	111.4 Å²	111.4	76%	0.762	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-75.5	-16.1	-166.5	52	0	0	0	0	115.3	R253	S251-R253 VanDerWaalsContact C-N 3.32Å; S251-R253 PolarHBondContact O-N 3.44Å
252	C	40.2	Very low	38.4	Very low	85 Å²	85	112.3 Å²	112.3	57%	0.574	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-78	-11	-178.8	-65.7	0	0	0	0	114.4	S250	S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 2.88Å
253	R	36.2	Very low	38	Very low	206 Å²	206	113.7 Å²	113.7	78%	0.777	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-80.1	-20.3	-170.3	-160	167.8	-175.4	152.3	0.4	114.8	S251	S251-R253 VanDerWaalsContact C-N 3.32Å; S251-R253 PolarHBondContact O-N 3.44Å
254	A	40.7	Very low	38	Very low	72 Å²	72	116.9 Å²	116.9	60%	0.595	66%	0.662	S	S	*	*	S	Bend	trans	-79.2	-42.4	-176.1	0	0	0	0	0	113.5	L256	A254-L256 PolarHBondContact O-N 2.06Å
255	L	40.4	Very low	37.4	Very low	146 Å²	146	122.2 Å²	122.2	76%	0.764	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-11.1	-171.7	-66	171.4	0	0	0	114.4	S259	L255-S259 PolarHBondContact O-OG 2.98Å; L255-S259 VanDerWaalsContact O-OG 3.07Å
256	L	40	Very low	36.9	Very low	128 Å²	128	122.6 Å²	122.6	67%	0.67	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-9.1	-179.7	-71.9	173.3	0	0	0	114.3	A254	A254-L256 PolarHBondContact O-N 2.06Å
257	L	43.8	Very low	36.4	Very low	111 Å²	111	129.8 Å²	129.8	58%	0.581	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-45	-177.8	-74.7	170	0	0	0	113.3	S259 A260	L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.13Å; L257-A260 PolarHBondContact O-N 3.43Å
258	D	35.4	Very low	35.8	Very low	140 Å²	140	128.4 Å²	128.4	75%	0.749	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-64	-34	175.4	-76.8	-55.1	0	0	0	112.4	A260	D258-A260 PolarHBondContact O-N 2.87Å; D258-A260 VanDerWaalsContact O-N 3.16Å
259	S	36.5	Very low	34.7	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-67.5	-10.8	177.6	-55.4	0	0	0	0	114	L255 L257	L255-S259 PolarHBondContact O-OG 2.98Å; L255-S259 VanDerWaalsContact O-OG 3.07Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.13Å
260	A	37	Very low	34.1	Very low	75 Å²	75	137.4 Å²	137.4	62%	0.62	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-105.1	-6.7	-170.6	0	0	0	0	0	115.1	L257 D258	L257-A260 PolarHBondContact O-N 3.43Å; D258-A260 PolarHBondContact O-N 2.87Å; D258-A260 VanDerWaalsContact O-N 3.16Å
261	L	37.3	Very low	33.3	Very low	157 Å²	157	140.5 Å²	140.5	82%	0.822	76%	0.755	S	S	*	*	S	Bend	trans	-112.8	0.1	-171.6	-69.8	173.1	0	0	0	115.2
262	A	34.6	Very low	32.5	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	75%	0.749	S	S	*	*	S	Bend	trans	-113.7	12.3	-163.1	0	0	0	0	0	117.7
263	V	27.7	Very low	32	Very low	143 Å²	143	141.8 Å²	141.8	87%	0.867	76%	0.762	S	S	*	*			trans	-141.8	124.6	161.5	-178.2	0	0	0	0	110
264	K	28.7	Very low	31.4	Very low	186 Å²	186	142.1 Å²	142.1	81%	0.809	76%	0.763	S	S	*	*			trans	-149.9	82	-178.2	-169.6	-168.9	178.3	-177.6	0	113.8
265	W	24.7	Very low	30.6	Very low	243 Å²	243	145.8 Å²	145.8	92%	0.92	77%	0.772	S	S	*	*			trans	-145.3	124.7	161.5	-64.7	100.2	0	0	0	107.9
266	A	26.7	Very low	29.7	Very low	77 Å²	77	142.5 Å²	142.5	64%	0.636	76%	0.761	S	S	*	*			cis	106	85.3	12	0	0	0	0	0	115.6
267	W	24.6	Very low	28.9	Very low	269 Å²	269	145 Å²	145	100%	1.019	77%	0.769	S	S	*	*			trans	-153.6	143.8	151.5	-89.2	-6.6	0	0	0	107.4
268	G	25.9	Very low	27.8	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	78%	0.783	S	S	*	*			cis	150.6	105.1	-9	0	0	0	0	0	112.8
269	K	25.8	Very low	27.3	Very low	214 Å²	214	144.3 Å²	144.3	93%	0.93	78%	0.784	S	S	*	*			trans	-157.4	148.1	158.3	-125	174.7	-176.2	179.9	0	112.5
270	E	27.8	Very low	26.7	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	79%	0.794	S	S	*	*			trans	-83.4	174	-171.1	-72.5	167.6	103.9	0	0	112.6
271	M	25.3	Very low	26.7	Very low	168 Å²	168	152.7 Å²	152.7	83%	0.828	80%	0.804	S	S	*	*			cis	-152.6	170.5	22.8	-145.9	144.5	-162.5	0	0	114.1
272	S	23	Very low	26.1	Very low	91 Å²	91	152.5 Å²	152.5	64%	0.636	80%	0.803	S	S	*	*			trans	-85.1	167	179.5	-177.1	0	0	0	0	112.4
273	P	30.6	Very low	25.5	Very low	130 Å²	130	154 Å²	154	84%	0.844	80%	0.804	S	S	*	*				-131.4	-176.1	101.6	38.4	-29.9	0	0	0	114.2
274	R	23.7	Very low	25.3	Very low	212 Å²	212	153.8 Å²	153.8	80%	0.8	80%	0.803	S	S	*	*			trans	-109.1	159.4	-163.6	-54.6	175.2	172.4	-122.6	6.7	113.9
275	L	22	Very low	25.2	Very low	150 Å²	150	148.2 Å²	148.2	79%	0.785	80%	0.799	S	S	*	*			trans	64.7	159.4	149.8	-68.3	156.8	0	0	0	115.7
276	S	21.6	Very low	25.1	Very low	77 Å²	77	141.3 Å²	141.3	54%	0.538	79%	0.793	S	S	.	*			cis	-151.5	163.3	0	-139.7	0	0	0	0	111.6
277	Q	24.2	Very low	25.1	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	80%	0.803	S	S	*	*			trans	38.4	128	144.6	-67	161.9	-9.7	0	0	121
278	S	21.3	Very low	25.4	Very low	124 Å²	124	134.2 Å²	134.2	87%	0.867	79%	0.786	S	S	*	*				-143.5	132.4	117.7	57.9	0	0	0	0	110.2
279	S	24.8	Very low	25.8	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	79%	0.787	S	S	*	*			trans	-154.8	83.2	175.3	175	0	0	0	0	109.6
280	E	23.2	Very low	25.7	Very low	197 Å²	197	135 Å²	135	92%	0.921	78%	0.777	S	S	*	*			trans	-141.5	138.6	150.5	-71.3	-154.4	112.3	0	0	107.6
281	L	36.6	Very low	25.7	Very low	156 Å²	156	131.6 Å²	131.6	82%	0.817	77%	0.771	S	S	*	*			trans	-99.6	131.2	172.4	-82.9	75.7	0	0	0	108.6
282	N	25	Very low	25.7	Very low	153 Å²	153	131.6 Å²	131.6	82%	0.818	77%	0.769	S	S	*	*			trans	-174.1	132.5	130.8	-96.4	-44.1	0	0	0	113.7
283	T	23.1	Very low	25.8	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	77%	0.772	S	S	*	*			trans	27.5	139.7	134.3	-34.5	0	0	0	0	122.1
284	T	23.8	Very low	25.7	Very low	139 Å²	139	137 Å²	137	85%	0.853	78%	0.777	S	S	*	*			trans	109.5	137.1	149.3	-33.7	0	0	0	0	117.2
285	G	24.7	Very low	25.8	Very low	69 Å²	69	130 Å²	130	71%	0.711	77%	0.77	S	S	*	*			trans	93.4	100.7	178.4	0	0	0	0	0	113.2
286	A	24.4	Very low	25.9	Very low	98 Å²	98	129.3 Å²	129.3	81%	0.81	77%	0.773	S	S	*	*			cis	85.2	118.9	17	0	0	0	0	0	116.7
287	A	26.5	Very low	26.1	Very low	102 Å²	102	133.9 Å²	133.9	84%	0.843	79%	0.785	S	S	*	*			trans	65	153.6	173	0	0	0	0	0	116
288	S	29.5	Very low	26.1	Very low	95 Å²	95	132 Å²	132	66%	0.664	79%	0.786	S	S	*	*			cis	-160	168.4	-1.4	-118	0	0	0	0	107.6
289	Q	35.3	Very low	26.2	Very low	163 Å²	163	129 Å²	129	76%	0.762	78%	0.775	S	S	*	*			cis	-147.8	-152.9	-1.2	-134	158.1	94.8	0	0	105
290	L	24.5	Very low	26.1	Very low	138 Å²	138	128.6 Å²	128.6	72%	0.723	77%	0.772	S	S	*	*			cis	-165.5	150.7	-0.1	-161.7	71.4	0	0	0	103.2
291	C	26.1	Very low	26.1	Very low	92 Å²	92	127.5 Å²	127.5	62%	0.622	77%	0.767	S	S	*	*			cis	-163.1	161.6	-23.4	-99.3	0	0	0	0	104.2
292	Q	26.2	Very low	25.4	Very low	167 Å²	167	125.9 Å²	125.9	78%	0.78	76%	0.763	S	S	*	*			cis	-149	166	0.6	-105.6	157.8	29.9	0	0	105.9
293	A	25.2	Very low	25.5	Very low	85 Å²	85	128.3 Å²	128.3	70%	0.702	77%	0.767	S	S	*	*				59.1	139.9	60.2	0	0	0	0	0	114.1
294	R	27.7	Very low	25.5	Very low	250 Å²	250	128.8 Å²	128.8	94%	0.943	77%	0.77	S	S	*	*			cis	-157.6	155.9	-10.4	-139	176.4	176	177.6	-2.9	105.3
295	G	25.5	Very low	26.9	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	76%	0.763	S	S	*	*				117.5	101.7	68.6	0	0	0	0	0	112.2
296	T	25	Very low	27.9	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	77%	0.765	S	S	*	*			trans	27.6	138.1	146.5	-31.5	0	0	0	0	122.9
297	Q	26.1	Very low	28.1	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.804	76%	0.758	S	S	*	*			trans	118.2	126.3	130.4	-148.2	169	5.9	0	0	119.2
298	V	22.9	Very low	28.3	Very low	140 Å²	140	131 Å²	131	85%	0.848	76%	0.757	S	S	*	*			trans	55.3	139.8	151.7	163.8	0	0	0	0	120.5
299	G	23.2	Very low	28.2	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	76%	0.761	S	S	*	*			trans	137.6	106.4	145.6	0	0	0	0	0	117.8
300	S	23.4	Very low	27.9	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	76%	0.762	S	S	*	*			trans	21.8	131	134.3	-53.6	0	0	0	0	123.2
301	E	23.1	Very low	28.1	Very low	174 Å²	174	128.6 Å²	128.6	81%	0.813	76%	0.758	S	S	*	*				78.1	114	126.2	-66.8	174.6	137.1	0	0	122.9
302	T	22.7	Very low	28.1	Very low	122 Å²	122	130.9 Å²	130.9	75%	0.748	76%	0.763	S	S	*	*				78.8	103.9	128.1	-54	0	0	0	0	121
303	K	25.9	Very low	28	Very low	204 Å²	204	129.1 Å²	129.1	89%	0.887	76%	0.758	S	S	*	*				-167.5	122.1	119.4	-110.6	170.7	-176.1	173.6	0	116.1
304	T	24.8	Very low	28.1	Very low	128 Å²	128	132 Å²	132	79%	0.785	76%	0.756	S	S	*	*			trans	-86.3	-169.3	151	16.8	0	0	0	0	109.4
305	P	51.4	Low	28	Very low	110 Å²	110	124 Å²	124	71%	0.714	74%	0.739	S	S	*	*			cis	-122.7	-149.2	-5.7	45.8	-28.7	0	0	0	109.8
306	P	46.7	Very low	28	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	75%	0.75	S	S	*	*			cis	-120.8	165.4	-12.9	34.8	-15.9	0	0	0	115
307	S	27.9	Very low	28	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	75%	0.749	S	S	*	*			cis	106.1	107.4	11.3	-166.6	0	0	0	0	115.8
308	V	30.6	Very low	27.9	Very low	135 Å²	135	126.4 Å²	126.4	82%	0.818	75%	0.749	S	S	*	*				-162.3	122	129.7	-91.3	0	0	0	0	106.1
309	D	27.5	Very low	28.1	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	74%	0.743	S	S	*	*				72.3	134.9	75.4	-92.1	-54.1	0	0	0	113.8
310	V	29.4	Very low	28.3	Very low	129 Å²	129	128.8 Å²	128.8	78%	0.782	76%	0.756	S	S	*	*			cis	-135.5	165.5	15.1	-175.3	0	0	0	0	111.6
311	A	28.5	Very low	28.5	Very low	77 Å²	77	127 Å²	127	64%	0.636	75%	0.754	S	S	*	*			trans	-67	-170.7	167.4	0	0	0	0	0	113.1
312	L	26.4	Very low	29.4	Very low	139 Å²	139	125.7 Å²	125.7	73%	0.728	76%	0.76	S	S	*	*			cis	-160.7	125.6	29.2	-166.8	76.4	0	0	0	107.8
313	L	24.3	Very low	29.6	Very low	131 Å²	131	123.3 Å²	123.3	69%	0.686	76%	0.759	S	S	*	*				72.8	146.8	72.6	-98.6	176.8	0	0	0	116.9
314	H	26.6	Very low	29.7	Very low	144 Å²	144	122 Å²	122	67%	0.667	76%	0.76	S	S	*	*			trans	79.3	146.5	165.8	-54.7	136.5	0	0	0	118.9
315	S	25.8	Very low	29.7	Very low	84 Å²	84	119 Å²	119	59%	0.587	75%	0.754	S	S	*	*			cis	-168.6	154.6	-14.4	-101.9	0	0	0	0	112.8
316	H	25.4	Very low	29.8	Very low	194 Å²	194	118.9 Å²	118.9	90%	0.898	75%	0.754	S	S	*	*			trans	43	144.2	148.1	-72.7	-105	0	0	0	122.7
317	G	25.6	Very low	28.9	Very low	79 Å²	79	123.8 Å²	123.8	81%	0.814	76%	0.759	S	S	*	*			trans	170.2	130.1	161.6	0	0	0	0	0	112.9
318	D	24.8	Very low	28.8	Very low	150 Å²	150	125.5 Å²	125.5	80%	0.802	77%	0.766	S	S	*	*			trans	-131.6	145.5	-166.3	-141.2	-49.1	0	0	0	113.8
319	S	26.4	Very low	29.1	Very low	101 Å²	101	123.7 Å²	123.7	71%	0.706	75%	0.748	S	S	*	*			trans	67.7	171	151	-73.8	0	0	0	0	123.3
320	V	28	Very low	30.2	Very low	151 Å²	151	122.2 Å²	122.2	92%	0.915	75%	0.747	S	S	*	*			trans	94.7	148.6	165	-167.4	0	0	0	0	118.4
321	G	27.1	Very low	30	Very low	66 Å²	66	122.9 Å²	122.9	68%	0.68	75%	0.746	S	S	*	*			trans	-117.1	-158.4	-165.7	0	0	0	0	0	117.3
322	P	41.9	Very low	30	Very low	146 Å²	146	127.3 Å²	127.3	95%	0.948	76%	0.758	S	S	*	*			trans	-112.3	160	-148	40.6	-37.1	0	0	0	120
323	G	26	Very low	29.9	Very low	71 Å²	71	125 Å²	125	73%	0.732	76%	0.759	S	S	*	*			trans	-176.4	164.2	165.8	0	0	0	0	0	108.2
324	I	28.6	Very low	31	Very low	177 Å²	177	124 Å²	124	91%	0.908	76%	0.76	S	S	*	*			cis	-152.4	170.4	19.3	-69.5	173.4	0	0	0	108.6
325	G	25.9	Very low	31	Very low	64 Å²	64	121.7 Å²	121.7	66%	0.66	76%	0.76	S	S	*	*			trans	-91	-146.6	174.1	0	0	0	0	0	115.1
326	P	53.2	Low	30.8	Very low	109 Å²	109	126.4 Å²	126.4	71%	0.708	77%	0.773	S	S	*	*			cis	-146.2	-157.6	1.3	35.4	-9.2	0	0	0	116.6
327	Y	26.7	Very low	30.8	Very low	219 Å²	219	121.6 Å²	121.6	86%	0.859	77%	0.767	S	S	*	*			trans	77.8	163.3	170	-62.6	-65.3	0	0	0	118.5
328	T	26.5	Very low	31.3	Very low	131 Å²	131	124.2 Å²	124.2	80%	0.804	77%	0.769	S	S	*	*			cis	-154.8	175.6	-5.3	-124.7	0	0	0	0	112.6
329	Q	37.3	Very low	31.3	Very low	96 Å²	96	120.5 Å²	120.5	45%	0.449	77%	0.767	S	S	.	*			trans	-160.3	156.8	175	-152.6	-164.2	6.3	0	0	114.1
330	P	49.9	Very low	31.2	Very low	109 Å²	109	124.6 Å²	124.6	71%	0.708	78%	0.775	S	S	*	*				-144.6	-172.7	110.9	37.7	-19.2	0	0	0	113.3
331	N	25.2	Very low	31	Very low	143 Å²	143	125 Å²	125	77%	0.765	77%	0.771	S	S	*	*			cis	-155.8	-162.1	30.1	-141.8	-16.8	0	0	0	115
332	L	28.6	Very low	30.9	Very low	169 Å²	169	124.7 Å²	124.7	89%	0.885	77%	0.767	S	S	*	*			trans	-117.1	-177.5	-151.4	-75.6	158.6	0	0	0	120.1
333	A	24.7	Very low	30.2	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	76%	0.758	S	S	*	*			trans	-120.3	-154	179.6	0	0	0	0	0	111.4
334	P	46.2	Very low	30.3	Very low	111 Å²	111	129.7 Å²	129.7	72%	0.721	76%	0.757	S	S	*	*			cis	-146.1	-169.5	13.6	46.2	-24.6	0	0	0	118.6
335	S	26.7	Very low	30.2	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	76%	0.757	S	S	*	*			trans	58.4	166.1	145.3	-70.4	0	0	0	0	122.8
336	E	21.9	Very low	30.4	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	76%	0.762	S	S	*	*			cis	-162	-167.5	-25.5	-109.4	169.4	104.3	0	0	111.4
337	A	25.3	Very low	30	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	76%	0.764	S	S	*	*			trans	-77.6	-172	-177.2	0	0	0	0	0	114.4
338	P	37.4	Very low	30.1	Very low	134 Å²	134	128.3 Å²	128.3	87%	0.87	76%	0.757	S	S	*	*			cis	-135	-156.4	11.2	43.3	-21.8	0	0	0	115.6
339	G	23.5	Very low	30.1	Very low	73 Å²	73	126.8 Å²	126.8	75%	0.753	75%	0.752	S	S	*	*			trans	-145.4	-165.2	-172.6	0	0	0	0	0	118.1
340	Q	25	Very low	29.6	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.874	77%	0.773	S	S	*	*			trans	-150.5	165.2	177.7	-78.3	-158.6	67.2	0	0	109.7
341	L	23.8	Very low	28.7	Very low	159 Å²	159	129.1 Å²	129.1	83%	0.832	78%	0.776	S	S	*	*			cis	125.7	133.1	4.9	-122.4	176.6	0	0	0	110.7
342	G	25.4	Very low	29.1	Very low	59 Å²	59	129.5 Å²	129.5	61%	0.608	78%	0.778	S	S	*	*			trans	105	109.9	-176.5	0	0	0	0	0	113.4
343	E	27.3	Very low	29.1	Very low	159 Å²	159	128.3 Å²	128.3	74%	0.743	77%	0.772	S	S	*	*				66.4	131.9	77.3	-68.2	-165.6	81	0	0	114.4
344	K	27.7	Very low	29.6	Very low	164 Å²	164	135.4 Å²	135.4	71%	0.713	78%	0.779	S	S	*	*			cis	-167.1	143.6	2.2	-129.1	174.1	-172	148	0	111.1
345	Q	25.9	Very low	28.8	Very low	197 Å²	197	136.2 Å²	136.2	92%	0.921	78%	0.782	S	S	*	*			trans	-178.8	152.3	132.7	-101.2	172.3	74.9	0	0	111.9
346	V	30	Very low	28.9	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	79%	0.785	S	S	*	*			trans	-161.2	154.3	-155.6	172.8	0	0	0	0	109.3
347	P	45	Very low	29.6	Very low	115 Å²	115	136.9 Å²	136.9	75%	0.747	78%	0.776	S	S	*	*			cis	-107.6	-129.1	-9.4	27.2	-3.9	0	0	0	109.7
348	S	29.1	Very low	30	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	78%	0.779	S	S	*	*			cis	-170.4	153.8	-3.8	27.3	0	0	0	0	108.5
349	S	26.9	Very low	29.4	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	78%	0.777	S	S	*	*			cis	-157.1	121.9	-13.6	51	0	0	0	0	111.6
350	T	25.9	Very low	29.9	Very low	146 Å²	146	144.5 Å²	144.5	90%	0.896	77%	0.771	S	S	*	*			trans	62.8	147.2	156.7	54.3	0	0	0	0	120.1
351	S	31.6	Very low	30.4	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	77%	0.769	S	S	*	*			trans	-145.2	178	-159.9	56.7	0	0	0	0	113.2
352	D	34.3	Very low	30.7	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	77%	0.774	S	S	*	*			trans	-47	159.7	147.9	-66.3	-102.4	0	0	0	112.2
353	D	26.7	Very low	31	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	78%	0.777	S	S	*	*			trans	-148.7	154.2	136.7	-142.1	-42.3	0	0	0	111.9	V355	D353-V355 WeakPolarHBondContact OD1-CG2 3.33Å
354	R	35.9	Very low	31.6	Very low	241 Å²	241	145.8 Å²	145.8	91%	0.909	78%	0.778	S	S	*	*			trans	-157.1	89.2	-174.7	-176.4	-168.9	178.3	-171	0.9	110.1
355	V	30	Very low	31.7	Very low	127 Å²	127	141.8 Å²	141.8	77%	0.77	78%	0.783	S	S	*	*			trans	-118.4	143.5	-178.4	-147.2	0	0	0	0	113.1	D353	D353-V355 WeakPolarHBondContact OD1-CG2 3.33Å
356	K	28.4	Very low	31.7	Very low	169 Å²	169	139 Å²	139	74%	0.735	78%	0.775	S	S	*	*			trans	-73.8	170.3	163.1	-76.4	-174.5	107.9	-135.3	0	110.1
357	D	37.3	Very low	31.7	Very low	123 Å²	123	142 Å²	142	66%	0.658	78%	0.778	S	S	*	*			cis	-155.6	-168.9	4.3	-118.2	-18	0	0	0	107.6
358	E	32.7	Very low	31	Very low	177 Å²	177	144 Å²	144	83%	0.827	78%	0.781	S	S	*	*			trans	80.9	117.1	159.3	-160.9	175.9	132.4	0	0	118.6
359	F	24.6	Very low	31	Very low	192 Å²	192	144.5 Å²	144.5	84%	0.842	79%	0.785	S	S	*	*			trans	-153.4	141.9	150.9	-144	-96.6	0	0	0	110.4
360	S	34.7	Very low	31.1	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	79%	0.787	S	S	*	*			trans	-107.2	161.7	174.9	-68.6	0	0	0	0	111.3
361	D	34.8	Very low	31.4	Very low	152 Å²	152	148 Å²	148	81%	0.813	79%	0.785	S	S	*	*			trans	53.1	114	171.1	-75.9	-35.6	0	0	0	118.7
362	L	30.4	Very low	31.5	Very low	180 Å²	180	151.1 Å²	151.1	94%	0.942	79%	0.788	S	S	*	*			trans	-134.9	134.2	148.2	-79.2	-178.1	0	0	0	110.9
363	S	31	Very low	31.4	Very low	98 Å²	98	150.1 Å²	150.1	69%	0.685	78%	0.783	S	S	*	*			trans	-135.4	136	-174.1	-177.6	0	0	0	0	111
364	E	40.8	Very low	31.5	Very low	161 Å²	161	151.2 Å²	151.2	75%	0.752	79%	0.789	S	S	*	*			trans	47.8	114.8	166.5	-65.9	-177.5	166.7	0	0	118.9	K477	E364-K477 IonicContact OE2-NZ 3.24Å; E364-K477 PolarHBondContact OE2-NZ 2.81Å
365	G	28.8	Very low	31.5	Very low	80 Å²	80	148 Å²	148	83%	0.825	78%	0.781	S	S	*	*			trans	174.8	65.9	161.8	0	0	0	0	0	118.6
366	D	27.7	Very low	31.9	Very low	139 Å²	139	151.8 Å²	151.8	74%	0.743	79%	0.787	S	S	*	*			trans	-142.5	104.9	163.7	-148.8	-18.7	0	0	0	112.3
367	F	28.3	Very low	32.1	Very low	188 Å²	188	153.4 Å²	153.4	83%	0.825	80%	0.797	S	S	*	*			trans	-144.4	74.5	-179.8	-88.1	-67.3	0	0	0	110.3	S369	F367-S369 PolarHBondContact O-N 2.74Å
368	L	30.8	Very low	31.5	Very low	157 Å²	157	154.5 Å²	154.5	82%	0.822	80%	0.803	S	S	*	*			trans	-61.9	129.8	164.6	-65.4	176	0	0	0	110.3
369	S	30.4	Very low	31.8	Very low	113 Å²	113	151.7 Å²	151.7	79%	0.79	80%	0.801	S	S	*	*			trans	-100.5	95.1	179.1	57.6	0	0	0	0	111.2	F367	F367-S369 PolarHBondContact O-N 2.74Å
370	E	29	Very low	31.9	Very low	158 Å²	158	151.7 Å²	151.7	74%	0.738	80%	0.803	S	S	*	*			trans	-88.9	98.1	165.6	-61.6	177.5	140.9	0	0	109	R539	E370-R539 IonicContact OE2-NH1 3.27Å; E370-R539 PolarHBondContact OE2-NH1 2.99Å
371	D	30.8	Very low	31.4	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	81%	0.807	S	S	*	*			trans	-108.7	76.5	175.4	-138.5	-75.3	0	0	0	108.4
372	E	33.4	Very low	31.1	Very low	173 Å²	173	150.3 Å²	150.3	81%	0.808	81%	0.805	S	S	*	*			trans	-83.7	139.1	174.8	-94.8	-77.9	61.8	0	0	111
373	N	32.1	Very low	30.7	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	80%	0.798	S	S	*	*			trans	-93.7	118.1	-172.2	150.8	98.4	0	0	0	110.9
374	D	30	Very low	30.5	Very low	167 Å²	167	152.2 Å²	152.2	89%	0.893	80%	0.803	S	S	*	*			trans	-118.4	129.4	171.8	-102.5	-52.1	0	0	0	111.8
375	K	36.1	Very low	29.8	Very low	174 Å²	174	148.5 Å²	148.5	76%	0.757	80%	0.796	S	S	*	*			trans	-144.2	104.9	-168.6	-174.9	-177.8	-178.8	-177.8	0	111.6
376	K	38.2	Very low	29.6	Very low	205 Å²	205	154.6 Å²	154.6	89%	0.891	80%	0.799	S	S	*	*			trans	47.2	113.3	168.2	-75.9	-169.1	170.8	-168.7	0	116.8
377	Q	31.3	Very low	29.7	Very low	203 Å²	203	155 Å²	155	95%	0.949	80%	0.797	S	S	*	*			trans	-128.8	148.4	139.2	-74.7	-164.6	-12.9	0	0	110.6
378	N	25.8	Very low	30	Very low	146 Å²	146	151.7 Å²	151.7	78%	0.781	79%	0.794	S	S	*	*			trans	-153.8	129.9	175.3	176.1	75	0	0	0	107.7
379	P	37.8	Very low	29.6	Very low	119 Å²	119	152.4 Å²	152.4	77%	0.773	79%	0.787	S	S	*	*			trans	-78	170.9	175.6	32.8	-34	0	0	0	112.4
380	Q	27.7	Very low	29.8	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	79%	0.787	S	S	*	*			trans	-128.5	143.2	-158.4	172.4	-171.5	-25.6	0	0	112.6
381	S	24.2	Very low	29.6	Very low	103 Å²	103	151 Å²	151	72%	0.72	78%	0.779	S	S	*	*			trans	-158	130.2	163.5	56.3	0	0	0	0	111.4
382	S	27.4	Very low	29.3	Very low	110 Å²	110	151.2 Å²	151.2	77%	0.769	77%	0.772	S	S	*	*			trans	35.2	139.7	150.2	57.7	0	0	0	0	121.3
383	D	23.2	Very low	28.9	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	78%	0.775	S	S	*	*			cis	-172.3	171.9	-8.4	-167.6	-172	0	0	0	107.1
384	E	26.7	Very low	28.6	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	78%	0.784	S	S	*	*			trans	62.6	149.2	171.2	-72.5	-149.8	85	0	0	118.4
385	S	26.8	Very low	28.4	Very low	84 Å²	84	151 Å²	151	59%	0.587	78%	0.782	S	S	*	*			cis	-160.8	135	-17	-171.1	0	0	0	0	111.4
386	F	23.1	Very low	27.9	Very low	207 Å²	207	146 Å²	146	91%	0.908	78%	0.779	S	S	*	*			trans	63.8	153.7	161.5	-88.6	-107.6	0	0	0	123.9
387	E	31.3	Very low	27.4	Very low	147 Å²	147	146 Å²	146	69%	0.687	78%	0.779	S	S	*	*			trans	-114.7	170.8	177.3	-134.6	-158.6	-117.1	0	0	109.1
388	P	34.3	Very low	27.1	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	78%	0.776	S	S	*	*				-149.8	173.4	60.1	38.6	-16	0	0	0	119.2
389	Y	21.5	Very low	27.2	Very low	173 Å²	173	144.4 Å²	144.4	68%	0.678	78%	0.776	S	S	*	*			trans	-51.4	168.4	163.9	-108.6	-124.2	0	0	0	115.3	E391	Y389-E391 HydrophobicContact CD1-CG 3.88Å; Y389-E391 HydrophobicContact CE1-CG 3.66Å
390	P	35.7	Very low	26.6	Very low	121 Å²	121	147.9 Å²	147.9	79%	0.786	78%	0.782	S	S	*	*			cis	-147.2	-163.9	42.6	43.2	-20.7	0	0	0	118.9
391	E	24	Very low	26.7	Very low	120 Å²	120	144.4 Å²	144.4	56%	0.561	78%	0.779	S	S	*	*			trans	-98	-173.9	-157.2	-37.7	148.3	81.6	0	0	117.3	Y389	Y389-E391 HydrophobicContact CD1-CG 3.88Å; Y389-E391 HydrophobicContact CE1-CG 3.66Å
392	K	25	Very low	27	Very low	165 Å²	165	148 Å²	148	72%	0.717	78%	0.781	S	S	*	*			trans	82.8	152.9	155.1	-67	145.2	-179.8	155.1	0	115.4
393	K	25.5	Very low	27	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	78%	0.782	S	S	*	*			cis	-134.3	150.2	21.5	-65.3	165.7	-176.9	172	0	113.3
394	V	25.4	Very low	27.3	Very low	147 Å²	147	147.8 Å²	147.8	89%	0.891	78%	0.778	S	S	*	*			trans	-91.2	144	160.3	172.9	0	0	0	0	108.9
395	S	26.4	Very low	27.4	Very low	119 Å²	119	149.8 Å²	149.8	83%	0.832	78%	0.784	S	S	*	*			trans	-98	145.7	173.2	-176	0	0	0	0	110.8
396	G	25.5	Very low	27.3	Very low	69 Å²	69	154.5 Å²	154.5	71%	0.711	79%	0.794	S	S	*	*			trans	-142.7	174.9	-172	0	0	0	0	0	115.4
397	K	27.9	Very low	28	Very low	203 Å²	203	149.6 Å²	149.6	88%	0.883	78%	0.783	S	S	*	*			trans	-138.2	118.5	167.9	-65.1	179.7	179.4	177.7	0	105.3
398	K	24.4	Very low	27.8	Very low	206 Å²	206	150.6 Å²	150.6	90%	0.896	79%	0.788	S	S	*	*				58.8	122.5	87.4	-159.8	172.5	-174.4	178	0	110.7
399	S	26.9	Very low	27.5	Very low	110 Å²	110	151.6 Å²	151.6	77%	0.769	78%	0.782	S	S	*	*			cis	-143.1	161.9	39.6	50	0	0	0	0	116.5
400	E	26.1	Very low	28.3	Very low	192 Å²	192	148.2 Å²	148.2	90%	0.897	78%	0.781	S	S	*	*			trans	-95.9	166	168.8	-71.5	171	73.9	0	0	113.2
401	S	28.6	Very low	28	Very low	118 Å²	118	150 Å²	150	83%	0.825	78%	0.777	S	S	*	*			trans	-138.7	146.1	152	57.8	0	0	0	0	110.5
402	K	30.8	Very low	28.3	Very low	179 Å²	179	151.4 Å²	151.4	78%	0.778	79%	0.787	S	S	*	*			trans	-75.2	179.2	-173.9	-59.8	-174.9	177.2	179.3	0	113
403	E	27.3	Very low	28.6	Very low	167 Å²	167	154.3 Å²	154.3	78%	0.78	79%	0.793	S	S	*	*			cis	-154.6	174.8	19.2	-153	153.2	114.9	0	0	115.8
404	A	31.2	Very low	29	Very low	86 Å²	86	154.4 Å²	154.4	71%	0.711	79%	0.793	S	S	*	*			trans	-64	154.3	-160.2	0	0	0	0	0	121.4
405	K	28.9	Very low	29.6	Very low	212 Å²	212	157 Å²	157	92%	0.922	79%	0.793	S	S	*	*				-173.8	164.8	110.3	-101	176.1	-178.1	-179.8	0	114.4
406	K	24	Very low	30.1	Very low	183 Å²	183	157.6 Å²	157.6	80%	0.796	79%	0.794	S	S	*	*			trans	-141.8	178.5	175.7	-125.8	-155.9	175.1	-168.3	0	107.7
407	P	37.2	Very low	30.5	Very low	105 Å²	105	157.6 Å²	157.6	68%	0.682	79%	0.794	S	S	*	*			cis	-106.5	-143.3	20.6	21.7	3.4	0	0	0	112
408	E	27.2	Very low	31	Very low	168 Å²	168	154.4 Å²	154.4	79%	0.785	79%	0.794	S	S	*	*			cis	-141.6	-146.6	9	-71.8	-172.8	76.1	0	0	112.3
409	E	27.7	Very low	31.9	Very low	139 Å²	139	154.1 Å²	154.1	65%	0.65	79%	0.793	S	S	*	*			trans	-161.3	-170.2	-175.3	-117.3	-152.6	96.7	0	0	108.6	K411	E409-K411 IonicContact OE1-NZ 3.85Å; E409-K411 PolarHBondContact OE1-NZ 2.93Å; E409-K411 IonicContact OE2-NZ 3.55Å
410	P	39.5	Very low	32.5	Very low	102 Å²	102	155.3 Å²	155.3	66%	0.662	80%	0.798	S	S	*	*			cis	-134	161.9	-12	33	-12.7	0	0	0	117.2
411	K	28.7	Very low	32.7	Very low	159 Å²	159	149.6 Å²	149.6	69%	0.691	79%	0.79	S	S	*	*			trans	18	138.3	140.2	-42	174.8	-177	81.3	0	121.8	E409	E409-K411 IonicContact OE1-NZ 3.85Å; E409-K411 PolarHBondContact OE1-NZ 2.93Å; E409-K411 IonicContact OE2-NZ 3.55Å
412	I	30.6	Very low	33.3	Very low	150 Å²	150	155.9 Å²	155.9	77%	0.769	80%	0.796	S	S	*	*				169.4	130.1	112.8	-87.3	159.6	0	0	0	116.1
413	R	31.3	Very low	33.5	Very low	226 Å²	226	157.2 Å²	157.2	85%	0.853	80%	0.802	S	S	*	*			trans	14.4	143.1	145.1	-43.9	165.4	96.8	166.1	3.9	119.4
414	K	33.7	Very low	34.2	Very low	202 Å²	202	159.4 Å²	159.4	88%	0.878	81%	0.809	S	S	*	*				-164.7	164.8	73.9	-81.1	164.3	-175.3	173.7	0	113.4
415	K	37.5	Very low	34.3	Very low	202 Å²	202	165.1 Å²	165.1	88%	0.878	82%	0.818	S	S	*	*			trans	-118.9	154.1	160.7	-69.5	-174.9	178.6	-178.6	0	109.5
416	P	36.8	Very low	34.7	Very low	131 Å²	131	163.3 Å²	163.3	85%	0.851	82%	0.817	S	S	*	*				-136.2	171.2	118.3	15.4	6.8	0	0	0	114.1
417	G	33.4	Very low	35	Very low	70 Å²	70	165.5 Å²	165.5	72%	0.722	82%	0.82	S	S	*	*			trans	-91	-171.8	170.7	0	0	0	0	0	113
418	P	38.9	Very low	34.7	Very low	135 Å²	135	165.6 Å²	165.6	88%	0.877	82%	0.823	S	S	*	*				-137.8	-175.2	52.3	37.1	-18.3	0	0	0	116.5
419	K	43.1	Very low	34.9	Very low	200 Å²	200	166.7 Å²	166.7	87%	0.87	83%	0.828	S	S	*	*			trans	-95.4	147.6	173	-56.7	174	-179.3	174.3	0	110.1
420	P	40.3	Very low	35.6	Very low	135 Å²	135	170.9 Å²	170.9	88%	0.877	84%	0.838	S	S	*	*				-140.2	178.9	84.4	37.2	-20.9	0	0	0	111.7
421	G	31.1	Very low	35.8	Very low	72 Å²	72	174.5 Å²	174.5	74%	0.742	85%	0.845	S	S	*	*			cis	174.7	179.7	14.1	0	0	0	0	0	108
422	W	41.2	Very low	36.9	Very low	251 Å²	251	175.8 Å²	175.8	95%	0.951	85%	0.854	S	S	*	*			trans	-67.6	136.9	-171.7	-77.3	-69.7	0	0	0	115.8
423	K	34.3	Very low	37.6	Very low	206 Å²	206	175.8 Å²	175.8	90%	0.896	86%	0.855	S	S	*	*			trans	-174.7	90.8	133.6	-98.3	150.1	-171.4	175.9	0	111.2	K425	K423-K425 PolarHBondContact O-N 3.07Å
424	K	41.1	Very low	38.8	Very low	213 Å²	213	168.6 Å²	168.6	93%	0.926	84%	0.837	S	S	*	*			trans	-79.6	110.7	166.9	-80.9	-169.7	174.8	-174.2	0	109.5
425	K	34.6	Very low	40.6	Very low	207 Å²	207	163.5 Å²	163.5	90%	0.9	82%	0.823	S	S	*	*			trans	-87.6	134.1	157.9	-74.9	-171.6	175.4	-175.5	0	108.7	K423	K423-K425 PolarHBondContact O-N 3.07Å
426	L	37.7	Very low	42.7	Very low	173 Å²	173	158.4 Å²	158.4	91%	0.906	81%	0.805	S	S	*	*			trans	-82.6	118.6	173.9	-84	142.7	0	0	0	110.4
427	R	29.6	Very low	44.8	Very low	229 Å²	229	156 Å²	156	86%	0.864	78%	0.779	S	S	*	*				180	136	127.8	-103.8	-75.8	178.4	158.7	-0.1	112.8
428	C	30.1	Very low	47.1	Very low	108 Å²	108	159.9 Å²	159.9	73%	0.73	78%	0.776	S	S	*	*			trans	57.2	84.3	146.7	-138.2	0	0	0	0	117.9
429	E	31.8	Very low	49.2	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	74%	0.739	S	S	*	*			trans	-97.8	147.2	133.4	-164.8	165.6	167.9	0	0	107.8	E431	E429-E431 PolarHBondContact O-N 2.79Å
430	R	42.4	Very low	51	Low	228 Å²	228	148.9 Å²	148.9	86%	0.86	73%	0.726	S	S	*	*			trans	-79.9	107.3	-166.8	176.8	-179.9	-69.8	-179.6	-2.7	110.3	E432	R430-E432 PolarHBondContact O-N 3.26Å
431	E	43.7	Very low	52.6	Low	177 Å²	177	147.1 Å²	147.1	83%	0.827	70%	0.702	S	S	*	*			trans	-56.7	127.2	167.9	-66.2	-179	132.1	0	0	110	E429 L433	E429-E431 PolarHBondContact O-N 2.79Å; E431-L433 PolarHBondContact O-N 3.14Å; E431-L433 VanDerWaalsContact O-N 3.16Å
432	E	52.2	Low	54.1	Low	187 Å²	187	152.9 Å²	152.9	87%	0.874	71%	0.71	S	S	*	*			trans	-67.2	112.8	170.9	-65.7	-168.3	136.7	0	0	108.6	R430 P434	R430-E432 PolarHBondContact O-N 3.26Å; E432-P434 WeakPolarHBondContact O-CD 3.13Å
433	L	44.3	Very low	55.3	Low	150 Å²	150	144.8 Å²	144.8	79%	0.785	70%	0.704	S	S	*	*			trans	-58.4	126.8	176.1	-67.2	173.8	0	0	0	108.9	E431 T435	E431-L433 PolarHBondContact O-N 3.14Å; E431-L433 VanDerWaalsContact O-N 3.16Å; L433-T435 PolarHBondContact O-N 3.49Å
434	P	57.2	Low	57.2	Low	74 Å²	74	136.5 Å²	136.5	48%	0.481	67%	0.672	S	S	.	*			trans	-51.7	133.2	171.1	-25.6	34.1	0	0	0	109.3	E432 I436	E432-P434 WeakPolarHBondContact O-CD 3.13Å; P434-I436 WeakPolarHBondContact O-CG1 3.19Å; P434-I436 PolarHBondContact O-N 2.9Å
435	T	71.2	Confident	59	Low	95 Å²	95	132.9 Å²	132.9	58%	0.583	67%	0.668	S	S	*	*			trans	-63.7	102.2	-170.5	-23.3	0	0	0	0	110.3	L433 Y437	L433-T435 PolarHBondContact O-N 3.49Å; T435-Y437 HydrophobicContact CG2-CE2 4.18Å; T435-Y437 WeakPolarHBondContact O-CD2 3.18Å; T435-Y437 VanDerWaalsContact O-CE2 3.26Å; T435-Y437 WeakPolarHBondContact O-CE2 3.28Å; T435-Y437 PolarHBondContact O-N 2.98Å
436	I	81.3	Confident	61.1	Low	96 Å²	96	124 Å²	124	49%	0.492	63%	0.633	S	S	.	*			trans	-88.4	104.4	-176	-77.3	161.1	0	0	0	108.9	P434 V447	P434-I436 WeakPolarHBondContact O-CG1 3.19Å; P434-I436 PolarHBondContact O-N 2.9Å; I436-V447 HydrophobicContact CG2-CG1 3.25Å
437	Y	82.3	Confident	63.4	Low	79 Å²	79	119.7 Å²	119.7	31%	0.31	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	113.9	178.7	-64.6	-89.5	0	0	0	109.9	T435 Y448 A451 M454	T435-Y437 HydrophobicContact CG2-CE2 4.18Å; T435-Y437 WeakPolarHBondContact O-CD2 3.18Å; T435-Y437 VanDerWaalsContact O-CE2 3.26Å; T435-Y437 WeakPolarHBondContact O-CE2 3.28Å; T435-Y437 PolarHBondContact O-N 2.98Å; Y437-Y448 PolarHBondContact N-O 3Å; Y437-Y448 PolarHBondContact O-N 3.08Å; Y437-A451 HydrophobicContact CD1-CB 4.24Å; Y437-A451 HydrophobicContact CE1-CB 3.82Å; Y437-A451 HydrophobicContact CE2-CB 4.26Å; Y437-M454 HydrophobicContact CD1-CE 4.02Å; Y437-M454 HydrophobicContact CD1-SD 4.43Å
438	K	81.7	Confident	66.2	Low	152 Å²	152	112 Å²	112	66%	0.661	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.9	144.7	174.8	-57.3	-175.4	-178.9	-179.6	0	110.1	V447	K438-V447 HydrophobicContact CG-CG2 4.28Å
439	C	82.3	Confident	68.9	Low	14 Å²	14	117 Å²	117	10%	0.095	59%	0.588	C	S	.	*			trans	-60.4	131.1	174.5	-166.2	0	0	0	0	111.3	Y441 C444 A446 H457 H462	C439-Y441 PolarHBondContact O-N 3.26Å; C439-C444 HydrophobicContact CB-CB 4.03Å; C439-A446 HydrophobicContact CB-CB 4.36Å; C439-A446 PolarHBondContact N-O 2.93Å; C439-H457 VanDerWaalsContact SG-CD2 3.6Å; C439-H457 PolarHBondContact SG-NE2 3.05Å; C439-H462 VanDerWaalsContact SG-CD2 3.51Å
440	P	81.6	Confident	71.6	Confident	91 Å²	91	109.3 Å²	109.3	59%	0.591	56%	0.56	S	S	*	*			trans	-72.8	-9.2	177.9	-20.8	34.2	0	0	0	115.3	I458	P440-I458 HydrophobicContact CG-CD1 4.21Å
441	Y	73.3	Confident	73.6	Confident	98 Å²	98	100.3 Å²	100.3	38%	0.384	53%	0.534	S	S	.	.	S	Bend	trans	-87.2	130.6	-171.9	-71.1	-99.8	0	0	0	111.5	C439 G443 C444 I458 H462	C439-Y441 PolarHBondContact O-N 3.26Å; Y441-G443 PolarHBondContact O-N 2.87Å; Y441-C444 WeakPolarHBondContact O-CB 3.43Å; Y441-C444 PolarHBondContact O-N 2.82Å; Y441-I458 HydrophobicContact CD2-CG1 4.29Å; Y441-I458 HydrophobicContact CE2-CB 4.37Å; Y441-I458 HydrophobicContact CE2-CD1 4.45Å; Y441-I458 HydrophobicContact CE2-CG1 3.99Å; Y441-I458 HydrophobicContact CE2-CG2 3.68Å; Y441-H462 HydrophobicContact CD1-CB 3.77Å; Y441-H462 AromaticContact CD1-CG 3.88Å; Y441-H462 AromaticContact CD1-ND1 3.88Å; Y441-H462 HydrophobicContact CD2-CB 3.74Å; Y441-H462 AromaticContact CD2-CD2 3.78Å; Y441-H462 AromaticContact CD2-CG 3.69Å; Y441-H462 HydrophobicContact CE1-CB 3.64Å; Y441-H462 HydrophobicContact CE2-CB 3.63Å; Y441-H462 HydrophobicContact CG-CB 3.8Å; Y441-H462 AromaticContact CG-CD2 3.91Å; Y441-H462 AromaticContact CG-CG 3.55Å; Y441-H462 AromaticContact CG-ND1 3.69Å
442	Q	63.2	Low	75.5	Confident	193 Å²	193	98.2 Å²	98.2	90%	0.902	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	136.4	-179.2	-62.9	-65	-2.3	0	0	111.3	C444	Q442-C444 VanDerWaalsContact C-N 3.27Å; Q442-C444 PolarHBondContact O-N 3.49Å
443	G	65.8	Low	77	Confident	81 Å²	81	90.9 Å²	90.9	84%	0.835	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-9.6	-173.7	0	0	0	0	0	115.5	Y441	Y441-G443 PolarHBondContact O-N 2.87Å
444	C	73.1	Confident	79	Confident	31 Å²	31	85.3 Å²	85.3	21%	0.209	47%	0.474	C	S	.	.			trans	-93.1	107.9	177.4	-168	0	0	0	0	112.4	C439 Y441 Q442 A446 H457 H462	C439-C444 HydrophobicContact CB-CB 4.03Å; Y441-C444 WeakPolarHBondContact O-CB 3.43Å; Y441-C444 PolarHBondContact O-N 2.82Å; Q442-C444 VanDerWaalsContact C-N 3.27Å; Q442-C444 PolarHBondContact O-N 3.49Å; C444-A446 PolarHBondContact O-N 2.89Å; C444-A446 VanDerWaalsContact SG-CB 3.56Å; C444-H457 VanDerWaalsContact SG-CE1 3.53Å; C444-H457 PolarHBondContact SG-NE2 3.48Å; C444-H462 WeakPolarHBondContact CB-NE2 3.33Å; C444-H462 PolarHBondContact SG-NE2 3.46Å
445	T	79.2	Confident	80.2	Confident	138 Å²	138	89 Å²	89	85%	0.847	48%	0.482	S	S	*	.			trans	-83.3	15	177.3	54.1	0	0	0	0	114
446	A	80.4	Confident	80.7	Confident	20 Å²	20	90.4 Å²	90.4	17%	0.165	48%	0.48	C	S	.	.			trans	-75.6	136.4	-176	0	0	0	0	0	112.9	C439 C444 Y448	C439-A446 HydrophobicContact CB-CB 4.36Å; C439-A446 PolarHBondContact N-O 2.93Å; C444-A446 PolarHBondContact O-N 2.89Å; C444-A446 VanDerWaalsContact SG-CB 3.56Å; A446-Y448 HydrophobicContact CB-CE2 3.73Å
447	V	85.1	Confident	80.8	Confident	82 Å²	82	86.2 Å²	86.2	50%	0.497	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.5	-170.3	-179.1	0	0	0	0	110.7	I436 K438	I436-V447 HydrophobicContact CG2-CG1 3.25Å; K438-V447 HydrophobicContact CG-CG2 4.28Å
448	Y	87.6	Confident	80.7	Confident	69 Å²	69	83.9 Å²	83.9	27%	0.271	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144	-171.3	-61	-82.1	0	0	0	112.2	Y437 A446 G450 M454 H457	Y437-Y448 PolarHBondContact N-O 3Å; Y437-Y448 PolarHBondContact O-N 3.08Å; A446-Y448 HydrophobicContact CB-CE2 3.73Å; Y448-G450 PolarHBondContact O-N 3.45Å; Y448-M454 HydrophobicContact CD2-CB 3.91Å; Y448-M454 HydrophobicContact CD2-CG 4.42Å; Y448-M454 HydrophobicContact CG-CB 4.3Å; Y448-H457 HydrophobicContact CE1-CB 4.31Å; Y448-H457 HydrophobicContact CE2-CB 3.61Å; Y448-H457 AromaticContact CE2-CD2 3.64Å; Y448-H457 AromaticContact CE2-CG 3.59Å; Y448-H457 VanDerWaalsContact CZ-CB 3.49Å; Y448-H457 AromaticContact CZ-CG 3.67Å; Y448-H457 WeakPolarHBondContact OH-CB 3.24Å; Y448-H457 PolarHBondContact OH-ND1 2.9Å
449	R	87.2	Confident	80.5	Confident	212 Å²	212	82.8 Å²	82.8	80%	0.8	45%	0.447	S	S	*	.	S	Bend	trans	-82.2	11	175.3	-63.7	-176.2	-177.9	-113.8	6	114.1
450	G	87.6	Confident	80	Confident	28 Å²	28	84.9 Å²	84.9	29%	0.289	46%	0.455	S	S	.	.	S	Bend	trans	-166.4	146.4	-177.6	0	0	0	0	0	112.9	Y448 D452 G453 M454	Y448-G450 PolarHBondContact O-N 3.45Å; G450-D452 VanDerWaalsContact C-N 3.32Å; G450-D452 PolarHBondContact O-N 3.49Å; G450-G453 PolarHBondContact O-N 3.3Å; G450-M454 PolarHBondContact O-N 3.48Å
451	A	84.8	Confident	79.3	Confident	39 Å²	39	82.9 Å²	82.9	32%	0.322	44%	0.438	S	S	.	.	H	α-helix	trans	-59.5	-38.9	-174.2	0	0	0	0	0	112.8	Y437 G453 M454 K455	Y437-A451 HydrophobicContact CD1-CB 4.24Å; Y437-A451 HydrophobicContact CE1-CB 3.82Å; Y437-A451 HydrophobicContact CE2-CB 4.26Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.04Å; A451-M454 PolarHBondContact O-N 2.95Å; A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.2Å; A451-K455 PolarHBondContact O-N 3.25Å
452	D	84.8	Confident	79.3	Confident	133 Å²	133	80.2 Å²	80.2	71%	0.711	43%	0.428	S	S	*	.	H	α-helix	trans	-66.3	-33.7	179.6	-56.7	-70.4	0	0	0	113	G450 K456	G450-D452 VanDerWaalsContact C-N 3.32Å; G450-D452 PolarHBondContact O-N 3.49Å; D452-K456 WeakPolarHBondContact O-CB 3.4Å; D452-K456 PolarHBondContact O-N 3.18Å
453	G	83.6	Confident	79.5	Confident	33 Å²	33	77.1 Å²	77.1	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-47	173.9	0	0	0	0	0	111.4	G450 A451 H457	G450-G453 PolarHBondContact O-N 3.3Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.04Å; G453-H457 WeakPolarHBondContact O-CB 3.38Å; G453-H457 PolarHBondContact O-N 3.33Å
454	M	85.1	Confident	79.2	Confident	34 Å²	34	76.7 Å²	76.7	17%	0.167	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-46.1	174.3	-178	-170.7	65.6	0	0	111.7	Y437 Y448 G450 A451 K456 H457 I458	Y437-M454 HydrophobicContact CD1-CE 4.02Å; Y437-M454 HydrophobicContact CD1-SD 4.43Å; Y448-M454 HydrophobicContact CD2-CB 3.91Å; Y448-M454 HydrophobicContact CD2-CG 4.42Å; Y448-M454 HydrophobicContact CG-CB 4.3Å; G450-M454 PolarHBondContact O-N 3.48Å; A451-M454 PolarHBondContact O-N 2.95Å; M454-K456 VanDerWaalsContact C-N 3.35Å; M454-K456 PolarHBondContact O-N 3.16Å; M454-H457 WeakPolarHBondContact O-CB 3.48Å; M454-H457 PolarHBondContact O-N 3.05Å; M454-I458 HydrophobicContact CE-CD1 4.38Å; M454-I458 HydrophobicContact CG-CD1 3.82Å; M454-I458 HydrophobicContact CG-CG1 4.38Å; M454-I458 WeakPolarHBondContact O-CG1 3.33Å; M454-I458 PolarHBondContact O-N 2.93Å; M454-I458 HydrophobicContact SD-CD1 4.31Å
455	K	84.2	Confident	78.5	Confident	151 Å²	151	79.8 Å²	79.8	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-63.4	-40	-179.7	-173	174.7	-177.4	176.7	0	111.7	A451 K459	A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.2Å; A451-K455 PolarHBondContact O-N 3.25Å; K455-K459 WeakPolarHBondContact O-CB 3.47Å; K455-K459 PolarHBondContact O-N 3.38Å
456	K	81.7	Confident	77.7	Confident	124 Å²	124	81 Å²	81	54%	0.539	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-42.2	173	-178.5	169.7	-179.8	170.1	0	112	D452 M454 K459 E460	D452-K456 WeakPolarHBondContact O-CB 3.4Å; D452-K456 PolarHBondContact O-N 3.18Å; M454-K456 VanDerWaalsContact C-N 3.35Å; M454-K456 PolarHBondContact O-N 3.16Å; K456-K459 PolarHBondContact O-N 3.19Å; K456-E460 WeakPolarHBondContact CE-OE1 3.14Å; K456-E460 HydrophobicContact CG-CG 4.49Å; K456-E460 IonicContact NZ-OE1 2.93Å; K456-E460 WeakPolarHBondContact O-CB 3.36Å; K456-E460 PolarHBondContact O-N 3.21Å
457	H	81.8	Confident	77	Confident	8 Å²	8	87 Å²	87	4%	0.037	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-48.6	174.4	161.2	67.7	0	0	0	112.1	C439 C444 Y448 G453 M454 K459 E460 H461 H462	C439-H457 VanDerWaalsContact SG-CD2 3.6Å; C439-H457 PolarHBondContact SG-NE2 3.05Å; C444-H457 VanDerWaalsContact SG-CE1 3.53Å; C444-H457 PolarHBondContact SG-NE2 3.48Å; Y448-H457 HydrophobicContact CE1-CB 4.31Å; Y448-H457 HydrophobicContact CE2-CB 3.61Å; Y448-H457 AromaticContact CE2-CD2 3.64Å; Y448-H457 AromaticContact CE2-CG 3.59Å; Y448-H457 VanDerWaalsContact CZ-CB 3.49Å; Y448-H457 AromaticContact CZ-CG 3.67Å; Y448-H457 WeakPolarHBondContact OH-CB 3.24Å; Y448-H457 PolarHBondContact OH-ND1 2.9Å; G453-H457 WeakPolarHBondContact O-CB 3.38Å; G453-H457 PolarHBondContact O-N 3.33Å; M454-H457 WeakPolarHBondContact O-CB 3.48Å; M454-H457 PolarHBondContact O-N 3.05Å; H457-K459 VanDerWaalsContact C-N 3.26Å; H457-K459 PolarHBondContact O-N 2.86Å; H457-E460 PolarHBondContact O-N 3.23Å; H457-H461 AromaticContact CE1-CD2 3.85Å; H457-H461 AromaticContact CE1-CE1 3.94Å; H457-H461 AromaticContact CE1-CG 3.49Å; H457-H461 VanDerWaalsContact CE1-CG 3.49Å; H457-H461 AromaticContact CE1-ND1 3.55Å; H457-H461 AromaticContact ND1-CD2 3.18Å; H457-H461 PolarHBondContact ND1-CD2 2.78Å; H457-H461 AromaticContact ND1-CE1 3.61Å; H457-H461 AromaticContact ND1-CG 3.32Å; H457-H461 VanDerWaalsContact ND1-CG 3.32Å; H457-H461 AromaticContact ND1-ND1 3.58Å; H457-H461 AromaticContact ND1-NE2 3.37Å; H457-H461 PolarHBondContact ND1-NE2 3.32Å; H457-H461 VanDerWaalsContact O-CB 3.26Å; H457-H461 WeakPolarHBondContact O-CB 3.19Å; H457-H461 PolarHBondContact O-CD2 2.81Å; H457-H461 VanDerWaalsContact O-CD2 3.28Å; H457-H461 PolarHBondContact O-N 3.04Å; H457-H462 AromaticContact CE1-CD2 3.97Å; H457-H462 AromaticContact CE1-NE2 3.7Å; H457-H462 AromaticContact NE2-CD2 3.56Å; H457-H462 AromaticContact NE2-NE2 3.39Å; H457-H462 PolarHBondContact NE2-NE2 2.91Å
458	I	80.1	Confident	76.3	Confident	30 Å²	30	84.5 Å²	84.5	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-53.4	-47.1	174.2	-71.4	166.2	0	0	0	109.8	P440 Y441 M454 H462 E463	P440-I458 HydrophobicContact CG-CD1 4.21Å; Y441-I458 HydrophobicContact CD2-CG1 4.29Å; Y441-I458 HydrophobicContact CE2-CB 4.37Å; Y441-I458 HydrophobicContact CE2-CD1 4.45Å; Y441-I458 HydrophobicContact CE2-CG1 3.99Å; Y441-I458 HydrophobicContact CE2-CG2 3.68Å; M454-I458 HydrophobicContact CE-CD1 4.38Å; M454-I458 HydrophobicContact CG-CD1 3.82Å; M454-I458 HydrophobicContact CG-CG1 4.38Å; M454-I458 WeakPolarHBondContact O-CG1 3.33Å; M454-I458 PolarHBondContact O-N 2.93Å; M454-I458 HydrophobicContact SD-CD1 4.31Å; I458-H462 CarbonylContact O-C 3.45Å; I458-H462 WeakPolarHBondContact O-CA 3.38Å; I458-H462 WeakPolarHBondContact O-CB 3.48Å; I458-H462 PolarHBondContact O-N 3.24Å; I458-E463 PolarHBondContact O-N 3.12Å
459	K	79.1	Confident	75.8	Confident	130 Å²	130	85 Å²	85	57%	0.565	42%	0.415	S	S	*	.	I	π-helix	trans	-62.9	-47.1	177.7	-173.8	151.7	-168.7	160.4	0	113.7	K455 K456 H457 E463 E464	K455-K459 WeakPolarHBondContact O-CB 3.47Å; K455-K459 PolarHBondContact O-N 3.38Å; K456-K459 PolarHBondContact O-N 3.19Å; H457-K459 VanDerWaalsContact C-N 3.26Å; H457-K459 PolarHBondContact O-N 2.86Å; K459-E463 WeakPolarHBondContact CD-OE2 3.19Å; K459-E463 VanDerWaalsContact CG-OE2 3.25Å; K459-E463 WeakPolarHBondContact CG-OE2 3.43Å; K459-E464 PolarHBondContact O-N 3.21Å
460	E	71.4	Confident	75.4	Confident	58 Å²	58	75.5 Å²	75.5	27%	0.271	38%	0.381	S	S	.	.	I	π-helix	trans	-75.4	-16.3	-178.5	-76.3	-174.2	-157.8	0	0	114.7	K456 H457 R483	K456-E460 WeakPolarHBondContact CE-OE1 3.14Å; K456-E460 HydrophobicContact CG-CG 4.49Å; K456-E460 IonicContact NZ-OE1 2.93Å; K456-E460 WeakPolarHBondContact O-CB 3.36Å; K456-E460 PolarHBondContact O-N 3.21Å; H457-E460 PolarHBondContact O-N 3.23Å; E460-R483 IonicContact OE1-NH2 3.61Å; E460-R483 IonicContact OE2-CZ 3.14Å; E460-R483 IonicContact OE2-NH2 3.73Å; E460-R483 PolarHBondContact OE2-NH2 3.06Å
461	H	67.1	Low	74.9	Confident	49 Å²	49	79 Å²	79	23%	0.227	40%	0.398	C	S	.	.	I	π-helix	trans	-125.9	-23.5	-172.9	-67.8	-124.2	0	0	0	115.5	H457 I481	H457-H461 AromaticContact CE1-CD2 3.85Å; H457-H461 AromaticContact CE1-CE1 3.94Å; H457-H461 AromaticContact CE1-CG 3.49Å; H457-H461 VanDerWaalsContact CE1-CG 3.49Å; H457-H461 AromaticContact CE1-ND1 3.55Å; H457-H461 AromaticContact ND1-CD2 3.18Å; H457-H461 PolarHBondContact ND1-CD2 2.78Å; H457-H461 AromaticContact ND1-CE1 3.61Å; H457-H461 AromaticContact ND1-CG 3.32Å; H457-H461 VanDerWaalsContact ND1-CG 3.32Å; H457-H461 AromaticContact ND1-ND1 3.58Å; H457-H461 AromaticContact ND1-NE2 3.37Å; H457-H461 PolarHBondContact ND1-NE2 3.32Å; H457-H461 VanDerWaalsContact O-CB 3.26Å; H457-H461 WeakPolarHBondContact O-CB 3.19Å; H457-H461 PolarHBondContact O-CD2 2.81Å; H457-H461 VanDerWaalsContact O-CD2 3.28Å; H457-H461 PolarHBondContact O-N 3.04Å; H461-I481 VanDerWaalsContact CE1-CD1 3.45Å; H461-I481 WeakPolarHBondContact CE1-CD1 3.37Å; H461-I481 WeakPolarHBondContact ND1-CD1 3.48Å
462	H	72.3	Confident	74.5	Confident	41 Å²	41	79.9 Å²	79.9	19%	0.19	40%	0.396	C	S	.	.	I	π-helix	trans	-137.5	-22	-165.2	-63.8	-63.9	0	0	0	115.3	C439 Y441 C444 H457 I458 V465	C439-H462 VanDerWaalsContact SG-CD2 3.51Å; Y441-H462 HydrophobicContact CD1-CB 3.77Å; Y441-H462 AromaticContact CD1-CG 3.88Å; Y441-H462 AromaticContact CD1-ND1 3.88Å; Y441-H462 HydrophobicContact CD2-CB 3.74Å; Y441-H462 AromaticContact CD2-CD2 3.78Å; Y441-H462 AromaticContact CD2-CG 3.69Å; Y441-H462 HydrophobicContact CE1-CB 3.64Å; Y441-H462 HydrophobicContact CE2-CB 3.63Å; Y441-H462 HydrophobicContact CG-CB 3.8Å; Y441-H462 AromaticContact CG-CD2 3.91Å; Y441-H462 AromaticContact CG-CG 3.55Å; Y441-H462 AromaticContact CG-ND1 3.69Å; C444-H462 WeakPolarHBondContact CB-NE2 3.33Å; C444-H462 PolarHBondContact SG-NE2 3.46Å; H457-H462 AromaticContact CE1-CD2 3.97Å; H457-H462 AromaticContact CE1-NE2 3.7Å; H457-H462 AromaticContact NE2-CD2 3.56Å; H457-H462 AromaticContact NE2-NE2 3.39Å; H457-H462 PolarHBondContact NE2-NE2 2.91Å; I458-H462 CarbonylContact O-C 3.45Å; I458-H462 WeakPolarHBondContact O-CA 3.38Å; I458-H462 WeakPolarHBondContact O-CB 3.48Å; I458-H462 PolarHBondContact O-N 3.24Å; H462-V465 WeakPolarHBondContact O-CG2 3.33Å
463	E	67.9	Low	73.9	Confident	128 Å²	128	79.8 Å²	79.8	60%	0.598	40%	0.403	S	S	*	.	I	π-helix	trans	-86.5	-45	169.2	-165	-179.6	-164.3	0	0	109.8	I458 K459 V465	I458-E463 PolarHBondContact O-N 3.12Å; K459-E463 WeakPolarHBondContact CD-OE2 3.19Å; K459-E463 VanDerWaalsContact CG-OE2 3.25Å; K459-E463 WeakPolarHBondContact CG-OE2 3.43Å; E463-V465 PolarHBondContact O-N 2.96Å
464	E	58.9	Low	73.5	Confident	73 Å²	73	82.1 Å²	82.1	34%	0.341	43%	0.426	S	S	.	.			trans	-96.6	56.4	178	-157.3	176.8	-147	0	0	112.7	K459 R466 R468	K459-E464 PolarHBondContact O-N 3.21Å; E464-R466 HydrophobicContact CG-CG 4.35Å; E464-R466 PolarHBondContact O-N 3.07Å; E464-R466 IonicContact OE1-CZ 3.91Å; E464-R466 IonicContact OE1-NH1 2.81Å; E464-R466 PolarHBondContact OE1-NH1 3.38Å; E464-R468 PolarHBondContact O-NH1 2.88Å; E464-R468 IonicContact OE1-NH2 3.84Å; E464-R468 IonicContact OE2-CZ 3.83Å; E464-R468 IonicContact OE2-NH2 2.72Å; E464-R468 PolarHBondContact OE2-NH2 3.23Å
465	V	59.4	Low	73.3	Confident	96 Å²	96	81.1 Å²	81.1	58%	0.582	42%	0.423	S	S	*	.			trans	-72	62.9	170.8	-168.7	0	0	0	0	110.2	H462 E463	H462-V465 WeakPolarHBondContact O-CG2 3.33Å; E463-V465 PolarHBondContact O-N 2.96Å
466	R	61.5	Low	73	Confident	163 Å²	163	81.4 Å²	81.4	62%	0.615	43%	0.431	S	S	*	.			trans	-95.3	110.2	160.3	-68.9	172.6	172.5	145.8	-5.7	106.2	E464 R468	E464-R466 HydrophobicContact CG-CG 4.35Å; E464-R466 PolarHBondContact O-N 3.07Å; E464-R466 IonicContact OE1-CZ 3.91Å; E464-R466 IonicContact OE1-NH1 2.81Å; E464-R466 PolarHBondContact OE1-NH1 3.38Å; R466-R468 WeakPolarHBondContact O-CG 3.35Å; R466-R468 PolarHBondContact O-N 3.04Å; R466-R468 PolarHBondContact O-NH1 3.46Å
467	E	65.8	Low	72.9	Confident	146 Å²	146	79.7 Å²	79.7	68%	0.682	42%	0.424	S	S	*	.			trans	-53.4	124.8	160.5	-73	-167.1	167.4	0	0	108.5	P469 V478	E467-P469 WeakPolarHBondContact O-CD 3.45Å; E467-V478 HydrophobicContact CB-CG1 3.72Å; E467-V478 HydrophobicContact CG-CG1 4.08Å
468	R	71	Confident	72.7	Confident	30 Å²	30	82.6 Å²	82.6	11%	0.113	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	93.9	177.8	-63.7	143.3	163.3	107	-17.1	108.3	E464 R466 F479 D482 L485	E464-R468 PolarHBondContact O-NH1 2.88Å; E464-R468 IonicContact OE1-NH2 3.84Å; E464-R468 IonicContact OE2-CZ 3.83Å; E464-R468 IonicContact OE2-NH2 2.72Å; E464-R468 PolarHBondContact OE2-NH2 3.23Å; R466-R468 WeakPolarHBondContact O-CG 3.35Å; R466-R468 PolarHBondContact O-N 3.04Å; R466-R468 PolarHBondContact O-NH1 3.46Å; R468-F479 PolarHBondContact N-O 2.81Å; R468-F479 PolarHBondContact O-N 2.77Å; R468-D482 IonicContact CZ-OD2 2.86Å; R468-D482 IonicContact NE-OD1 3.7Å; R468-D482 PolarHBondContact NE-OD1 3.44Å; R468-D482 IonicContact NE-OD2 2.62Å; R468-D482 PolarHBondContact NE-OD2 3.16Å; R468-D482 IonicContact NH2-OD2 3.3Å; R468-D482 PolarHBondContact NH2-OD2 3.49Å; R468-L485 HydrophobicContact CB-CD2 3.67Å
469	P	76.8	Confident	72.6	Confident	80 Å²	80	83 Å²	83	52%	0.519	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	150.5	167.6	-24.7	34.3	0	0	0	111.3	E467 V478	E467-P469 WeakPolarHBondContact O-CD 3.45Å; P469-V478 HydrophobicContact CB-CG2 4.37Å; P469-V478 HydrophobicContact CG-CG2 4.28Å
470	C	79.1	Confident	72.3	Confident	11 Å²	11	82.8 Å²	82.8	7%	0.074	45%	0.445	C	S	.	.			trans	-65.5	126.7	171.7	-168.7	0	0	0	0	110.1	H472 C475 K477 L485 H488 H493	C470-H472 PolarHBondContact O-N 2.84Å; C470-C475 HydrophobicContact CB-CB 4.1Å; C470-C475 WeakPolarHBondContact CB-O 3.47Å; C470-K477 WeakPolarHBondContact CB-O 3.48Å; C470-K477 PolarHBondContact N-O 2.77Å; C470-L485 HydrophobicContact CB-CD1 4.17Å; C470-H488 PolarHBondContact SG-CD2 3.36Å; C470-H488 PolarHBondContact SG-NE2 3.16Å; C470-H493 VanDerWaalsContact SG-CD2 3.53Å; C470-H493 PolarHBondContact SG-NE2 3.49Å
471	P	77.6	Confident	72.5	Confident	101 Å²	101	80.9 Å²	80.9	66%	0.656	44%	0.436	S	S	*	.	S	Bend	trans	-76.5	17	-176.7	32.7	-37.3	0	0	0	113.4
472	H	76.3	Confident	72.8	Confident	58 Å²	58	81.5 Å²	81.5	27%	0.269	44%	0.442	S	S	.	.	S	Bend	trans	-102	126.1	-177.8	-72.1	68.8	0	0	0	110.1	C470 G474 C475 V489 H493	C470-H472 PolarHBondContact O-N 2.84Å; H472-G474 PolarHBondContact O-N 3.32Å; H472-C475 HydrophobicContact CB-CB 4.29Å; H472-C475 PolarHBondContact O-N 3.17Å; H472-V489 VanDerWaalsContact CE1-CG1 3.46Å; H472-V489 WeakPolarHBondContact CE1-CG1 3.38Å; H472-H493 WeakPolarHBondContact CD2-CB 3.43Å; H472-H493 AromaticContact CD2-CG 3.57Å; H472-H493 AromaticContact CG-CD2 3.52Å; H472-H493 AromaticContact CG-CG 3.5Å; H472-H493 VanDerWaalsContact CG-CG 3.5Å; H472-H493 AromaticContact ND1-CD2 3.75Å
473	P	72.1	Confident	73	Confident	132 Å²	132	86.6 Å²	86.6	86%	0.857	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130.1	180	24.6	-33.4	0	0	0	110.3
474	G	73.7	Confident	73.5	Confident	81 Å²	81	85 Å²	85	84%	0.835	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	5.9	-175.2	0	0	0	0	0	115.7	H472	H472-G474 PolarHBondContact O-N 3.32Å
475	C	80.6	Confident	74.6	Confident	14 Å²	14	82.4 Å²	82.4	10%	0.095	44%	0.437	C	S	.	.			trans	-116.4	95.8	176.2	-165	0	0	0	0	113.7	C470 H472 K477 H488 H493	C470-C475 HydrophobicContact CB-CB 4.1Å; C470-C475 WeakPolarHBondContact CB-O 3.47Å; H472-C475 HydrophobicContact CB-CB 4.29Å; H472-C475 PolarHBondContact O-N 3.17Å; C475-K477 PolarHBondContact O-N 3.21Å; C475-K477 VanDerWaalsContact O-N 3.12Å; C475-H488 PolarHBondContact SG-NE2 3.01Å; C475-H493 WeakPolarHBondContact CB-CE1 3.48Å; C475-H493 WeakPolarHBondContact CB-NE2 3.43Å; C475-H493 PolarHBondContact SG-CE1 2.95Å; C475-H493 PolarHBondContact SG-NE2 3.17Å
476	N	78.3	Confident	75.5	Confident	157 Å²	157	83.9 Å²	83.9	84%	0.84	44%	0.437	S	S	*	.			trans	-81.6	18.5	-177.4	-58.5	-7	0	0	0	114.1	V478	N476-V478 PolarHBondContact O-N 2.86Å
477	K	80.1	Confident	76.3	Confident	88 Å²	88	82.6 Å²	82.6	38%	0.383	43%	0.432	S	S	.	.			trans	-80.4	116.8	178.9	-64.3	-141.2	176.3	-152	0	110.5	E364 C470 C475 F479	E364-K477 IonicContact OE2-NZ 3.24Å; E364-K477 PolarHBondContact OE2-NZ 2.81Å; C470-K477 WeakPolarHBondContact CB-O 3.48Å; C470-K477 PolarHBondContact N-O 2.77Å; C475-K477 PolarHBondContact O-N 3.21Å; C475-K477 VanDerWaalsContact O-N 3.12Å; K477-F479 HydrophobicContact CB-CE2 3.79Å; K477-F479 HydrophobicContact CB-CZ 3.84Å; K477-F479 WeakPolarHBondContact O-CE2 3.41Å
478	V	77.4	Confident	77.1	Confident	68 Å²	68	76.9 Å²	76.9	41%	0.412	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.4	175.1	-177.6	0	0	0	0	110	E467 P469 N476	E467-V478 HydrophobicContact CB-CG1 3.72Å; E467-V478 HydrophobicContact CG-CG1 4.08Å; P469-V478 HydrophobicContact CB-CG2 4.37Å; P469-V478 HydrophobicContact CG-CG2 4.28Å; N476-V478 PolarHBondContact O-N 2.86Å
479	F	79.1	Confident	77.4	Confident	40 Å²	40	76.8 Å²	76.8	18%	0.175	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.7	176.1	-56.8	-90.4	0	0	0	110.8	R468 K477 I481 L485 H488	R468-F479 PolarHBondContact N-O 2.81Å; R468-F479 PolarHBondContact O-N 2.77Å; K477-F479 HydrophobicContact CB-CE2 3.79Å; K477-F479 HydrophobicContact CB-CZ 3.84Å; K477-F479 WeakPolarHBondContact O-CE2 3.41Å; F479-I481 VanDerWaalsContact C-N 3.31Å; F479-L485 HydrophobicContact CB-CB 4.02Å; F479-L485 HydrophobicContact CD2-CB 3.9Å; F479-L485 HydrophobicContact CD2-CD1 3.79Å; F479-L485 HydrophobicContact CD2-CG 4.43Å; F479-L485 HydrophobicContact CE2-CD1 4.12Å; F479-L485 HydrophobicContact CG-CB 4.11Å; F479-H488 HydrophobicContact CE1-CB 4.02Å; F479-H488 HydrophobicContact CE2-CB 3.84Å; F479-H488 AromaticContact CE2-CD2 3.53Å; F479-H488 AromaticContact CE2-CG 3.63Å; F479-H488 HydrophobicContact CZ-CB 3.42Å; F479-H488 VanDerWaalsContact CZ-CB 3.42Å; F479-H488 AromaticContact CZ-CD2 3.72Å; F479-H488 AromaticContact CZ-CG 3.32Å; F479-H488 AromaticContact CZ-ND1 3.73Å
480	M	71.4	Confident	77.4	Confident	124 Å²	124	77.9 Å²	77.9	61%	0.611	41%	0.405	S	S	*	.	S	Bend	trans	-77.2	-15.7	173.7	-65	178.9	-80.1	0	0	113.2
481	I	75.3	Confident	77	Confident	18 Å²	18	78.7 Å²	78.7	9%	0.092	41%	0.408	C	S	.	.	S	Bend	trans	-131.2	121.3	-168.5	-58.6	146.5	0	0	0	109.5	H461 F479 R483 Y484 L485	H461-I481 VanDerWaalsContact CE1-CD1 3.45Å; H461-I481 WeakPolarHBondContact CE1-CD1 3.37Å; H461-I481 WeakPolarHBondContact ND1-CD1 3.48Å; F479-I481 VanDerWaalsContact C-N 3.31Å; I481-R483 VanDerWaalsContact C-N 3.27Å; I481-R483 HydrophobicContact CG2-CB 4.09Å; I481-R483 PolarHBondContact O-N 2.84Å; I481-Y484 HydrophobicContact CB-CD2 4.08Å; I481-Y484 HydrophobicContact CB-CG 4.39Å; I481-Y484 HydrophobicContact CD1-CD2 3.66Å; I481-Y484 HydrophobicContact CD1-CE2 3.57Å; I481-Y484 HydrophobicContact CG2-CD2 4.47Å; I481-Y484 PolarHBondContact O-N 3.46Å; I481-L485 PolarHBondContact O-N 3.13Å
482	D	74.3	Confident	76.8	Confident	63 Å²	63	78.4 Å²	78.4	34%	0.337	40%	0.4	S	S	.	.	H	α-helix	trans	-53.7	-41.3	-177.8	-101	-43.7	0	0	0	113.2	R468 Y484 L485 Q486	R468-D482 IonicContact CZ-OD2 2.86Å; R468-D482 IonicContact NE-OD1 3.7Å; R468-D482 PolarHBondContact NE-OD1 3.44Å; R468-D482 IonicContact NE-OD2 2.62Å; R468-D482 PolarHBondContact NE-OD2 3.16Å; R468-D482 IonicContact NH2-OD2 3.3Å; R468-D482 PolarHBondContact NH2-OD2 3.49Å; D482-Y484 PolarHBondContact O-N 2.83Å; D482-Y484 VanDerWaalsContact O-N 3.14Å; D482-L485 PolarHBondContact O-N 3.35Å; D482-Q486 WeakPolarHBondContact O-CB 3.45Å; D482-Q486 VanDerWaalsContact O-CG 3.3Å; D482-Q486 WeakPolarHBondContact O-CG 3.27Å; D482-Q486 PolarHBondContact O-N 3.06Å
483	R	76.5	Confident	76.8	Confident	148 Å²	148	79 Å²	79	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-57.5	-30.9	178.2	-159.1	-169.1	-53.7	-176.7	8.1	112.5	E460 I481 R487	E460-R483 IonicContact OE1-NH2 3.61Å; E460-R483 IonicContact OE2-CZ 3.14Å; E460-R483 IonicContact OE2-NH2 3.73Å; E460-R483 PolarHBondContact OE2-NH2 3.06Å; I481-R483 VanDerWaalsContact C-N 3.27Å; I481-R483 HydrophobicContact CG2-CB 4.09Å; I481-R483 PolarHBondContact O-N 2.84Å; R483-R487 WeakPolarHBondContact O-CB 3.17Å; R483-R487 PolarHBondContact O-N 3.23Å
484	Y	78.4	Confident	76.5	Confident	95 Å²	95	74.8 Å²	74.8	37%	0.373	38%	0.375	S	S	.	.	H	α-helix	trans	-85.7	-37	178.3	-65.6	-15.6	0	0	0	112.3	I481 D482 R487 H488	I481-Y484 HydrophobicContact CB-CD2 4.08Å; I481-Y484 HydrophobicContact CB-CG 4.39Å; I481-Y484 HydrophobicContact CD1-CD2 3.66Å; I481-Y484 HydrophobicContact CD1-CE2 3.57Å; I481-Y484 HydrophobicContact CG2-CD2 4.47Å; I481-Y484 PolarHBondContact O-N 3.46Å; D482-Y484 PolarHBondContact O-N 2.83Å; D482-Y484 VanDerWaalsContact O-N 3.14Å; Y484-R487 VanDerWaalsContact CD1-NH2 3.27Å; Y484-R487 PolarHBondContact O-N 3.26Å; Y484-H488 WeakPolarHBondContact O-CB 3.47Å; Y484-H488 PolarHBondContact O-N 3.27Å
485	L	81.4	Confident	76	Confident	18 Å²	18	77.9 Å²	77.9	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-53.4	169.4	170.8	56.8	0	0	0	111.3	R468 C470 F479 I481 D482 R487 H488 V489	R468-L485 HydrophobicContact CB-CD2 3.67Å; C470-L485 HydrophobicContact CB-CD1 4.17Å; F479-L485 HydrophobicContact CB-CB 4.02Å; F479-L485 HydrophobicContact CD2-CB 3.9Å; F479-L485 HydrophobicContact CD2-CD1 3.79Å; F479-L485 HydrophobicContact CD2-CG 4.43Å; F479-L485 HydrophobicContact CE2-CD1 4.12Å; F479-L485 HydrophobicContact CG-CB 4.11Å; I481-L485 PolarHBondContact O-N 3.13Å; D482-L485 PolarHBondContact O-N 3.35Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 2.75Å; L485-H488 WeakPolarHBondContact O-CB 3.05Å; L485-H488 PolarHBondContact O-N 3.37Å; L485-V489 HydrophobicContact CD1-CG2 3.79Å; L485-V489 HydrophobicContact CG-CG2 4.46Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 2.88Å
486	Q	79.4	Confident	75	Confident	126 Å²	126	81.1 Å²	81.1	59%	0.589	39%	0.387	S	S	*	.	H	α-helix	trans	-57.8	-40.6	178.7	-69.1	175.2	8.8	0	0	111.5	D482 K490	D482-Q486 WeakPolarHBondContact O-CB 3.45Å; D482-Q486 VanDerWaalsContact O-CG 3.3Å; D482-Q486 WeakPolarHBondContact O-CG 3.27Å; D482-Q486 PolarHBondContact O-N 3.06Å; Q486-K490 WeakPolarHBondContact O-CB 3.38Å; Q486-K490 PolarHBondContact O-N 3.44Å
487	R	78.3	Confident	74.3	Confident	137 Å²	137	79.5 Å²	79.5	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-43.9	173.5	-179.5	178.3	69.9	179.2	0.7	111.8	R483 Y484 L485 L491	R483-R487 WeakPolarHBondContact O-CB 3.17Å; R483-R487 PolarHBondContact O-N 3.23Å; Y484-R487 VanDerWaalsContact CD1-NH2 3.27Å; Y484-R487 PolarHBondContact O-N 3.26Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 2.75Å; R487-L491 HydrophobicContact CG-CD1 3.64Å; R487-L491 HydrophobicContact CG-CG 4.29Å; R487-L491 VanDerWaalsContact O-CB 3.24Å; R487-L491 WeakPolarHBondContact O-CB 3.27Å; R487-L491 WeakPolarHBondContact O-CD1 3.45Å; R487-L491 WeakPolarHBondContact O-CG 3.45Å; R487-L491 PolarHBondContact O-N 2.84Å
488	H	81.1	Confident	73.7	Confident	25 Å²	25	78.7 Å²	78.7	12%	0.116	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-51.9	176.7	165.1	79.9	0	0	0	111.1	C470 C475 F479 Y484 L485 K490 L491 I492 H493	C470-H488 PolarHBondContact SG-CD2 3.36Å; C470-H488 PolarHBondContact SG-NE2 3.16Å; C475-H488 PolarHBondContact SG-NE2 3.01Å; F479-H488 HydrophobicContact CE1-CB 4.02Å; F479-H488 HydrophobicContact CE2-CB 3.84Å; F479-H488 AromaticContact CE2-CD2 3.53Å; F479-H488 AromaticContact CE2-CG 3.63Å; F479-H488 HydrophobicContact CZ-CB 3.42Å; F479-H488 VanDerWaalsContact CZ-CB 3.42Å; F479-H488 AromaticContact CZ-CD2 3.72Å; F479-H488 AromaticContact CZ-CG 3.32Å; F479-H488 AromaticContact CZ-ND1 3.73Å; Y484-H488 WeakPolarHBondContact O-CB 3.47Å; Y484-H488 PolarHBondContact O-N 3.27Å; L485-H488 WeakPolarHBondContact O-CB 3.05Å; L485-H488 PolarHBondContact O-N 3.37Å; H488-K490 PolarHBondContact O-N 3.4Å; H488-L491 PolarHBondContact O-N 2.75Å; H488-L491 VanDerWaalsContact O-N 3.17Å; H488-I492 WeakPolarHBondContact ND1-CG1 3.43Å; H488-I492 WeakPolarHBondContact O-CB 3.44Å; H488-I492 WeakPolarHBondContact O-CG1 3.24Å; H488-I492 PolarHBondContact O-N 3.1Å; H488-H493 AromaticContact CD2-NE2 3.52Å; H488-H493 AromaticContact CE1-NE2 3.26Å; H488-H493 PolarHBondContact CE1-NE2 2.92Å; H488-H493 VanDerWaalsContact CE1-NE2 3.26Å; H488-H493 AromaticContact NE2-CD2 3.71Å; H488-H493 AromaticContact NE2-NE2 2.47Å; H488-H493 PolarHBondContact NE2-NE2 3.17Å
489	V	79.1	Confident	73.6	Confident	28 Å²	28	79.1 Å²	79.1	17%	0.17	36%	0.364	C	S	.	.	H	α-helix	trans	-53.2	-51.9	174.8	165.8	0	0	0	0	111.2	H472 L485 L491 H493 T494	H472-V489 VanDerWaalsContact CE1-CG1 3.46Å; H472-V489 WeakPolarHBondContact CE1-CG1 3.38Å; L485-V489 HydrophobicContact CD1-CG2 3.79Å; L485-V489 HydrophobicContact CG-CG2 4.46Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 2.88Å; V489-L491 VanDerWaalsContact C-N 3.27Å; V489-L491 PolarHBondContact O-N 3.34Å; V489-H493 PolarHBondContact O-N 3.03Å; V489-H493 VanDerWaalsContact O-N 3.1Å; V489-T494 HydrophobicContact CG1-CG2 4.13Å; V489-T494 PolarHBondContact O-N 3.29Å
490	K	75.6	Confident	73.5	Confident	104 Å²	104	81.7 Å²	81.7	45%	0.452	38%	0.378	S	S	.	.	H	α-helix	trans	-67	-23.4	-177.8	-173	164.5	-179.4	171.4	0	113.9	Q486 H488 T494 N498	Q486-K490 WeakPolarHBondContact O-CB 3.38Å; Q486-K490 PolarHBondContact O-N 3.44Å; H488-K490 PolarHBondContact O-N 3.4Å; K490-T494 WeakPolarHBondContact CA-OG1 3.46Å; K490-T494 PolarHBondContact O-OG1 3.09Å; K490-N498 WeakPolarHBondContact CE-ND2 3.22Å; K490-N498 VanDerWaalsContact CE-OD1 3.26Å; K490-N498 WeakPolarHBondContact CE-OD1 3.39Å; K490-N498 PolarHBondContact NZ-OD1 3.39Å
491	L	71.8	Confident	74.1	Confident	27 Å²	27	75.8 Å²	75.8	14%	0.141	35%	0.349	C	S	.	.	H	α-helix	trans	-95.7	-37.4	179.1	-69.9	175.4	0	0	0	113.7	R487 H488 V489 K509 Q510	R487-L491 HydrophobicContact CG-CD1 3.64Å; R487-L491 HydrophobicContact CG-CG 4.29Å; R487-L491 VanDerWaalsContact O-CB 3.24Å; R487-L491 WeakPolarHBondContact O-CB 3.27Å; R487-L491 WeakPolarHBondContact O-CD1 3.45Å; R487-L491 WeakPolarHBondContact O-CG 3.45Å; R487-L491 PolarHBondContact O-N 2.84Å; H488-L491 PolarHBondContact O-N 2.75Å; H488-L491 VanDerWaalsContact O-N 3.17Å; V489-L491 VanDerWaalsContact C-N 3.27Å; V489-L491 PolarHBondContact O-N 3.34Å; L491-K509 HydrophobicContact CD2-CB 3.77Å; L491-K509 WeakPolarHBondContact CD2-O 3.47Å; L491-K509 WeakPolarHBondContact O-CD 3.34Å; L491-K509 VanDerWaalsContact O-CE 3.24Å; L491-K509 WeakPolarHBondContact O-CE 3.48Å; L491-K509 PolarHBondContact O-NZ 3.32Å; L491-Q510 HydrophobicContact CD1-CG 4.3Å; L491-Q510 HydrophobicContact CD2-CG 3.62Å
492	I	72.4	Confident	74.3	Confident	96 Å²	96	81.7 Å²	81.7	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-95.4	-56.2	-171.5	-56.8	-52	0	0	0	109.9	H488	H488-I492 WeakPolarHBondContact ND1-CG1 3.43Å; H488-I492 WeakPolarHBondContact O-CB 3.44Å; H488-I492 WeakPolarHBondContact O-CG1 3.24Å; H488-I492 PolarHBondContact O-N 3.1Å
493	H	76.1	Confident	74.5	Confident	71 Å²	71	84.2 Å²	84.2	33%	0.329	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-38.8	-170.2	-59	-56.5	0	0	0	113.9	C470 H472 C475 H488 V489	C470-H493 VanDerWaalsContact SG-CD2 3.53Å; C470-H493 PolarHBondContact SG-NE2 3.49Å; H472-H493 WeakPolarHBondContact CD2-CB 3.43Å; H472-H493 AromaticContact CD2-CG 3.57Å; H472-H493 AromaticContact CG-CD2 3.52Å; H472-H493 AromaticContact CG-CG 3.5Å; H472-H493 VanDerWaalsContact CG-CG 3.5Å; H472-H493 AromaticContact ND1-CD2 3.75Å; C475-H493 WeakPolarHBondContact CB-CE1 3.48Å; C475-H493 WeakPolarHBondContact CB-NE2 3.43Å; C475-H493 PolarHBondContact SG-CE1 2.95Å; C475-H493 PolarHBondContact SG-NE2 3.17Å; H488-H493 AromaticContact CD2-NE2 3.52Å; H488-H493 AromaticContact CE1-NE2 3.26Å; H488-H493 PolarHBondContact CE1-NE2 2.92Å; H488-H493 VanDerWaalsContact CE1-NE2 3.26Å; H488-H493 AromaticContact NE2-CD2 3.71Å; H488-H493 AromaticContact NE2-NE2 2.47Å; H488-H493 PolarHBondContact NE2-NE2 3.17Å; V489-H493 PolarHBondContact O-N 3.03Å; V489-H493 VanDerWaalsContact O-N 3.1Å
494	T	66.8	Low	74.8	Confident	43 Å²	43	79.7 Å²	79.7	26%	0.264	38%	0.381	S	S	.	.			trans	-82.3	126.2	172.4	85.3	0	0	0	0	110.1	V489 K490 V496	V489-T494 HydrophobicContact CG1-CG2 4.13Å; V489-T494 PolarHBondContact O-N 3.29Å; K490-T494 WeakPolarHBondContact CA-OG1 3.46Å; K490-T494 PolarHBondContact O-OG1 3.09Å; T494-V496 PolarHBondContact O-N 3.22Å
495	E	62.7	Low	74.7	Confident	146 Å²	146	77.4 Å²	77.4	68%	0.682	39%	0.386	S	S	*	.			trans	-71.2	6.9	176.3	-68.9	-131.8	103.6	0	0	114.2	R497	E495-R497 PolarHBondContact O-N 3.01Å
496	V	60.4	Low	74.7	Confident	82 Å²	82	81.1 Å²	81.1	50%	0.497	40%	0.403	S	S	.	.			trans	-69.2	91.4	-173.4	-166.6	0	0	0	0	110.7	T494 N498	T494-V496 PolarHBondContact O-N 3.22Å; V496-N498 VanDerWaalsContact C-N 3.34Å; V496-N498 VanDerWaalsContact CG1-ND2 3.3Å; V496-N498 WeakPolarHBondContact CG1-ND2 2.96Å; V496-N498 PolarHBondContact O-N 3.17Å; V496-N498 PolarHBondContact O-ND2 3.08Å
497	R	62.4	Low	74.7	Confident	122 Å²	122	77.8 Å²	77.8	46%	0.46	39%	0.391	S	S	.	.			trans	-79.7	82.1	174.2	-62.7	171.2	-162.8	-171.6	7.3	109.4	E495 Y499 T507 F508 K509	E495-R497 PolarHBondContact O-N 3.01Å; R497-Y499 PolarHBondContact O-N 3.38Å; R497-T507 WeakPolarHBondContact CD-OG1 3.33Å; R497-F508 CarbonylContact C-O 3.52Å; R497-K509 HydrophobicContact CG-CG 3.96Å
498	N	68.1	Low	74.8	Confident	71 Å²	71	73 Å²	73	38%	0.38	37%	0.374	S	S	.	.			trans	-64.7	-17.4	-169.5	-72.2	-115.9	0	0	0	114.4	K490 V496 F508	K490-N498 WeakPolarHBondContact CE-ND2 3.22Å; K490-N498 VanDerWaalsContact CE-OD1 3.26Å; K490-N498 WeakPolarHBondContact CE-OD1 3.39Å; K490-N498 PolarHBondContact NZ-OD1 3.39Å; V496-N498 VanDerWaalsContact C-N 3.34Å; V496-N498 VanDerWaalsContact CG1-ND2 3.3Å; V496-N498 WeakPolarHBondContact CG1-ND2 2.96Å; V496-N498 PolarHBondContact O-N 3.17Å; V496-N498 PolarHBondContact O-ND2 3.08Å; N498-F508 PolarHBondContact N-O 2.92Å
499	Y	74.7	Confident	74.6	Confident	78 Å²	78	75.2 Å²	75.2	31%	0.306	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	103.7	-169.2	-60.5	-76.2	0	0	0	110.7	R497 F508 Q510 R511	R497-Y499 PolarHBondContact O-N 3.38Å; Y499-F508 PolarHBondContact N-O 2.78Å; Y499-F508 VanDerWaalsContact N-O 3.15Å; Y499-F508 PolarHBondContact O-N 3.32Å; Y499-Q510 VanDerWaalsContact CD2-C 3.46Å; Y499-R511 HydrophobicContact CD1-CB 3.89Å; Y499-R511 HydrophobicContact CD1-CG 4.34Å; Y499-R511 VanDerWaalsContact CD2-N 3.35Å; Y499-R511 HydrophobicContact CE1-CB 3.67Å; Y499-R511 HydrophobicContact CE1-CG 4.27Å; Y499-R511 HydrophobicContact CE2-CB 4.39Å; Y499-R511 HydrophobicContact CG-CB 4.34Å
500	I	77.6	Confident	74.6	Confident	93 Å²	93	76.6 Å²	76.6	48%	0.477	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.2	-178.5	-46.1	-172.2	0	0	0	109.3	Q506 T507 L514	I500-Q506 CarbonylContact C-O 3.51Å; I500-T507 HydrophobicContact CD1-CG2 4.47Å; I500-T507 HydrophobicContact CG1-CG2 4.08Å; I500-T507 HydrophobicContact CG2-CG2 4.25Å; I500-L514 WeakPolarHBondContact O-CD2 3.31Å
501	C	84.2	Confident	74.9	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.399	C	S	.	.			trans	-87.7	116.6	166.3	-177.2	0	0	0	0	110	E503 C504 G505 Q506 F508 L514 H517	C501-E503 PolarHBondContact O-N 2.81Å; C501-C504 PolarHBondContact O-N 3.38Å; C501-G505 VanDerWaalsContact O-CA 3.27Å; C501-G505 WeakPolarHBondContact O-CA 3.37Å; C501-G505 PolarHBondContact O-N 3.04Å; C501-Q506 PolarHBondContact N-O 2.95Å; C501-F508 HydrophobicContact CB-CE2 4.29Å; C501-L514 VanDerWaalsContact CA-CD1 3.5Å; C501-L514 HydrophobicContact CB-CD1 3.52Å; C501-H517 VanDerWaalsContact SG-CD2 3.55Å
502	D	79.3	Confident	75.4	Confident	143 Å²	143	84 Å²	84	77%	0.765	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.8	-176.1	-50.4	-69.7	0	0	0	113.1
503	E	79.2	Confident	75.9	Confident	116 Å²	116	83.6 Å²	83.6	54%	0.542	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.1	-177.4	-60.7	179.3	-100.3	0	0	114.2	C501 H521	C501-E503 PolarHBondContact O-N 2.81Å; E503-H521 IonicContact OE1-CD2 3.72Å; E503-H521 IonicContact OE1-CG 2.7Å; E503-H521 WeakPolarHBondContact OE2-CB 3.22Å; E503-H521 IonicContact OE2-CG 3.73Å
504	C	81.7	Confident	76.4	Confident	53 Å²	53	81 Å²	81	36%	0.358	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.9	0.9	-176.9	74.5	0	0	0	0	115.7	C501 Q506 H517 H521	C501-C504 PolarHBondContact O-N 3.38Å; C504-Q506 PolarHBondContact O-N 3.41Å; C504-H517 PolarHBondContact SG-NE2 3.11Å; C504-H521 WeakPolarHBondContact CB-NE2 3.44Å
505	G	77.3	Confident	77.2	Confident	47 Å²	47	83.6 Å²	83.6	49%	0.485	41%	0.411	S	S	.	.			trans	71.2	2.3	-179.4	0	0	0	0	0	115.8	C501 T507	C501-G505 VanDerWaalsContact O-CA 3.27Å; C501-G505 WeakPolarHBondContact O-CA 3.37Å; C501-G505 PolarHBondContact O-N 3.04Å; G505-T507 WeakPolarHBondContact O-CG2 3.4Å; G505-T507 PolarHBondContact O-N 3.16Å
506	Q	80.1	Confident	78.3	Confident	96 Å²	96	78.7 Å²	78.7	45%	0.449	39%	0.391	S	S	.	.			trans	-64.5	135.2	178.8	-76.1	-161.9	-7.9	0	0	111.7	I500 C501 C504 F508 H517	I500-Q506 CarbonylContact C-O 3.51Å; C501-Q506 PolarHBondContact N-O 2.95Å; C504-Q506 PolarHBondContact O-N 3.41Å; Q506-F508 HydrophobicContact CB-CE2 3.66Å; Q506-F508 HydrophobicContact CB-CZ 3.8Å; Q506-F508 WeakPolarHBondContact O-CE2 3.44Å; Q506-H517 PolarHBondContact OE1-CE1 3.43Å; Q506-H517 PolarHBondContact OE1-ND1 3.16Å
507	T	79.3	Confident	79.5	Confident	55 Å²	55	75.8 Å²	75.8	34%	0.337	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.7	-172.5	58.8	0	0	0	0	111.4	R497 I500 G505	R497-T507 WeakPolarHBondContact CD-OG1 3.33Å; I500-T507 HydrophobicContact CD1-CG2 4.47Å; I500-T507 HydrophobicContact CG1-CG2 4.08Å; I500-T507 HydrophobicContact CG2-CG2 4.25Å; G505-T507 WeakPolarHBondContact O-CG2 3.4Å; G505-T507 PolarHBondContact O-N 3.16Å
508	F	80.9	Confident	80.5	Confident	36 Å²	36	72.6 Å²	72.6	16%	0.158	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.1	-173.3	-62.2	-83.2	0	0	0	111.8	R497 N498 Y499 C501 Q506 H513 L514 H517	R497-F508 CarbonylContact C-O 3.52Å; N498-F508 PolarHBondContact N-O 2.92Å; Y499-F508 PolarHBondContact N-O 2.78Å; Y499-F508 VanDerWaalsContact N-O 3.15Å; Y499-F508 PolarHBondContact O-N 3.32Å; C501-F508 HydrophobicContact CB-CE2 4.29Å; Q506-F508 HydrophobicContact CB-CE2 3.66Å; Q506-F508 HydrophobicContact CB-CZ 3.8Å; Q506-F508 WeakPolarHBondContact O-CE2 3.44Å; F508-H513 HydrophobicContact CB-CB 4.44Å; F508-H513 HydrophobicContact CD1-CB 3.91Å; F508-H513 HydrophobicContact CG-CB 4.42Å; F508-L514 HydrophobicContact CB-CB 4.32Å; F508-L514 HydrophobicContact CD2-CB 3.96Å; F508-L514 HydrophobicContact CD2-CD1 3.97Å; F508-L514 HydrophobicContact CE2-CD1 4.21Å; F508-L514 HydrophobicContact CG-CB 4.28Å; F508-H517 HydrophobicContact CE1-CB 4.16Å; F508-H517 HydrophobicContact CE2-CB 4.01Å; F508-H517 AromaticContact CE2-CD2 3.61Å; F508-H517 AromaticContact CE2-CG 3.67Å; F508-H517 AromaticContact CE2-NE2 3.99Å; F508-H517 HydrophobicContact CZ-CB 3.64Å; F508-H517 AromaticContact CZ-CD2 3.74Å; F508-H517 AromaticContact CZ-CE1 3.86Å; F508-H517 AromaticContact CZ-CG 3.33Å; F508-H517 AromaticContact CZ-ND1 3.43Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.39Å
509	K	77.1	Confident	81.3	Confident	72 Å²	72	71 Å²	71	31%	0.313	35%	0.353	S	S	.	.	S	Bend	trans	-75.8	-21.4	175	-66.4	-177.1	157.6	-166.2	0	112.8	L491 R497	L491-K509 HydrophobicContact CD2-CB 3.77Å; L491-K509 WeakPolarHBondContact CD2-O 3.47Å; L491-K509 WeakPolarHBondContact O-CD 3.34Å; L491-K509 VanDerWaalsContact O-CE 3.24Å; L491-K509 WeakPolarHBondContact O-CE 3.48Å; L491-K509 PolarHBondContact O-NZ 3.32Å; R497-K509 HydrophobicContact CG-CG 3.96Å
510	Q	79.4	Confident	81.6	Confident	57 Å²	57	75.3 Å²	75.3	27%	0.266	37%	0.368	S	S	.	.	S	Bend	trans	-137.5	140.5	-178.8	-62.3	-177.4	19.5	0	0	112.6	L491 Y499 K512 H513 L514	L491-Q510 HydrophobicContact CD1-CG 4.3Å; L491-Q510 HydrophobicContact CD2-CG 3.62Å; Y499-Q510 VanDerWaalsContact CD2-C 3.46Å; Q510-K512 VanDerWaalsContact C-N 3.27Å; Q510-K512 HydrophobicContact CB-CG 4.36Å; Q510-K512 PolarHBondContact O-N 3.33Å; Q510-H513 PolarHBondContact O-N 3.2Å; Q510-H513 VanDerWaalsContact O-N 3.08Å; Q510-L514 PolarHBondContact O-N 2.82Å
511	R	81.5	Confident	81.8	Confident	177 Å²	177	75.2 Å²	75.2	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-54.9	-39	176.7	-173	-179.5	-78	173.6	-4.9	112.9	Y499 H513 L514 L515	Y499-R511 HydrophobicContact CD1-CB 3.89Å; Y499-R511 HydrophobicContact CD1-CG 4.34Å; Y499-R511 VanDerWaalsContact CD2-N 3.35Å; Y499-R511 HydrophobicContact CE1-CB 3.67Å; Y499-R511 HydrophobicContact CE1-CG 4.27Å; Y499-R511 HydrophobicContact CE2-CB 4.39Å; Y499-R511 HydrophobicContact CG-CB 4.34Å; R511-H513 VanDerWaalsContact C-N 3.26Å; R511-H513 PolarHBondContact O-N 2.87Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.27Å; R511-L515 PolarHBondContact O-N 2.9Å
512	K	82.8	Confident	81.5	Confident	111 Å²	111	79.1 Å²	79.1	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-33.5	179.5	82.4	-172.7	-167.2	-171.6	0	112.7	Q510 V516	Q510-K512 VanDerWaalsContact C-N 3.27Å; Q510-K512 HydrophobicContact CB-CG 4.36Å; Q510-K512 PolarHBondContact O-N 3.33Å; K512-V516 WeakPolarHBondContact O-CB 3.43Å; K512-V516 WeakPolarHBondContact O-CG2 3.33Å; K512-V516 PolarHBondContact O-N 3.06Å; K512-V516 VanDerWaalsContact O-N 3.17Å
513	H	83.3	Confident	81.4	Confident	86 Å²	86	74.2 Å²	74.2	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-76.2	-36.6	176.9	-58.8	162	0	0	0	111.4	F508 Q510 R511 H517	F508-H513 HydrophobicContact CB-CB 4.44Å; F508-H513 HydrophobicContact CD1-CB 3.91Å; F508-H513 HydrophobicContact CG-CB 4.42Å; Q510-H513 PolarHBondContact O-N 3.2Å; Q510-H513 VanDerWaalsContact O-N 3.08Å; R511-H513 VanDerWaalsContact C-N 3.26Å; R511-H513 PolarHBondContact O-N 2.87Å; H513-H517 WeakPolarHBondContact O-CB 3.28Å; H513-H517 PolarHBondContact O-N 3.34Å
514	L	85.4	Confident	81.3	Confident	17 Å²	17	70.8 Å²	70.8	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-47.6	170.4	170.6	60.6	0	0	0	111.4	I500 C501 F508 Q510 R511 V516 H517 Q518	I500-L514 WeakPolarHBondContact O-CD2 3.31Å; C501-L514 VanDerWaalsContact CA-CD1 3.5Å; C501-L514 HydrophobicContact CB-CD1 3.52Å; F508-L514 HydrophobicContact CB-CB 4.32Å; F508-L514 HydrophobicContact CD2-CB 3.96Å; F508-L514 HydrophobicContact CD2-CD1 3.97Å; F508-L514 HydrophobicContact CE2-CD1 4.21Å; F508-L514 HydrophobicContact CG-CB 4.28Å; Q510-L514 PolarHBondContact O-N 2.82Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.27Å; L514-V516 PolarHBondContact O-N 2.89Å; L514-H517 CarbonylContact O-C 3.58Å; L514-H517 WeakPolarHBondContact O-CA 3.15Å; L514-H517 WeakPolarHBondContact O-CB 3.31Å; L514-H517 PolarHBondContact O-N 3.14Å; L514-H517 VanDerWaalsContact O-N 3.1Å; L514-Q518 HydrophobicContact CD1-CG 3.99Å; L514-Q518 HydrophobicContact CG-CG 4.48Å; L514-Q518 WeakPolarHBondContact O-CG 3.44Å; L514-Q518 PolarHBondContact O-N 3.02Å
515	L	84.3	Confident	81.2	Confident	98 Å²	98	72.7 Å²	72.7	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-46.9	-179.1	-174.4	67.8	0	0	0	112	R511 H517 Q518 M519	R511-L515 PolarHBondContact O-N 2.9Å; L515-H517 PolarHBondContact O-N 3.04Å; L515-Q518 PolarHBondContact O-N 3.17Å; L515-M519 HydrophobicContact CG-CE 4.17Å; L515-M519 WeakPolarHBondContact O-CG 3.42Å; L515-M519 PolarHBondContact O-N 3.18Å; L515-M519 VanDerWaalsContact O-N 3.17Å
516	V	84.6	Confident	81.2	Confident	43 Å²	43	74.7 Å²	74.7	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-29.4	174.7	167.3	0	0	0	0	112.1	K512 L514 M519 Q538	K512-V516 WeakPolarHBondContact O-CB 3.43Å; K512-V516 WeakPolarHBondContact O-CG2 3.33Å; K512-V516 PolarHBondContact O-N 3.06Å; K512-V516 VanDerWaalsContact O-N 3.17Å; L514-V516 PolarHBondContact O-N 2.89Å; V516-M519 HydrophobicContact CG2-CE 4.49Å; V516-Q538 HydrophobicContact CG1-CG 3.59Å; V516-Q538 VanDerWaalsContact CG1-NE2 3.33Å
517	H	85.5	Confident	81.3	Confident	20 Å²	20	72.1 Å²	72.1	9%	0.093	36%	0.363	C	S	.	.	H	α-helix	trans	-74.8	-40.2	173.1	170.2	91.3	0	0	0	112.4	C501 C504 Q506 F508 H513 L514 L515 M519 R520	C501-H517 VanDerWaalsContact SG-CD2 3.55Å; C504-H517 PolarHBondContact SG-NE2 3.11Å; Q506-H517 PolarHBondContact OE1-CE1 3.43Å; Q506-H517 PolarHBondContact OE1-ND1 3.16Å; F508-H517 HydrophobicContact CE1-CB 4.16Å; F508-H517 HydrophobicContact CE2-CB 4.01Å; F508-H517 AromaticContact CE2-CD2 3.61Å; F508-H517 AromaticContact CE2-CG 3.67Å; F508-H517 AromaticContact CE2-NE2 3.99Å; F508-H517 HydrophobicContact CZ-CB 3.64Å; F508-H517 AromaticContact CZ-CD2 3.74Å; F508-H517 AromaticContact CZ-CE1 3.86Å; F508-H517 AromaticContact CZ-CG 3.33Å; F508-H517 AromaticContact CZ-ND1 3.43Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.39Å; H513-H517 WeakPolarHBondContact O-CB 3.28Å; H513-H517 PolarHBondContact O-N 3.34Å; L514-H517 CarbonylContact O-C 3.58Å; L514-H517 WeakPolarHBondContact O-CA 3.15Å; L514-H517 WeakPolarHBondContact O-CB 3.31Å; L514-H517 PolarHBondContact O-N 3.14Å; L514-H517 VanDerWaalsContact O-N 3.1Å; L515-H517 PolarHBondContact O-N 3.04Å; H517-M519 VanDerWaalsContact C-N 3.26Å; H517-M519 PolarHBondContact O-N 3.08Å; H517-R520 WeakPolarHBondContact O-CA 3.48Å; H517-R520 WeakPolarHBondContact O-CB 3.4Å; H517-R520 PolarHBondContact O-N 2.79Å
518	Q	83.9	Confident	81.5	Confident	56 Å²	56	74.5 Å²	74.5	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-34.7	174.6	-75	169.1	-47.2	0	0	111.9	L514 L515 R520 H521 S522	L514-Q518 HydrophobicContact CD1-CG 3.99Å; L514-Q518 HydrophobicContact CG-CG 4.48Å; L514-Q518 WeakPolarHBondContact O-CG 3.44Å; L514-Q518 PolarHBondContact O-N 3.02Å; L515-Q518 PolarHBondContact O-N 3.17Å; Q518-R520 PolarHBondContact O-N 3.19Å; Q518-H521 PolarHBondContact O-N 3.2Å; Q518-S522 PolarHBondContact O-N 3.31Å; Q518-S522 VanDerWaalsContact O-N 3.08Å; Q518-S522 PolarHBondContact O-OG 3.15Å
519	M	84.9	Confident	81.6	Confident	38 Å²	38	72.8 Å²	72.8	19%	0.187	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-20.7	170	-62.8	176.9	-160.7	0	0	113.8	L515 V516 H517 G523 A524 P526 R537	L515-M519 HydrophobicContact CG-CE 4.17Å; L515-M519 WeakPolarHBondContact O-CG 3.42Å; L515-M519 PolarHBondContact O-N 3.18Å; L515-M519 VanDerWaalsContact O-N 3.17Å; V516-M519 HydrophobicContact CG2-CE 4.49Å; H517-M519 VanDerWaalsContact C-N 3.26Å; H517-M519 PolarHBondContact O-N 3.08Å; M519-G523 CarbonylContact O-C 3.56Å; M519-G523 PolarHBondContact O-N 3.41Å; M519-A524 PolarHBondContact O-N 2.83Å; M519-P526 HydrophobicContact SD-CG 4.15Å; M519-R537 HydrophobicContact CB-CG 4.2Å; M519-R537 PolarHBondContact O-NE 3.45Å; M519-R537 PolarHBondContact O-NH2 3.24Å; M519-R537 HydrophobicContact SD-CB 4.31Å
520	R	81.1	Confident	81.5	Confident	168 Å²	168	78.1 Å²	78.1	63%	0.634	39%	0.389	S	S	*	.	H	α-helix	trans	-69.2	-40.6	172.7	-171.9	-177.1	170.7	174.3	-3.1	111.4	H517 Q518	H517-R520 WeakPolarHBondContact O-CA 3.48Å; H517-R520 WeakPolarHBondContact O-CB 3.4Å; H517-R520 PolarHBondContact O-N 2.79Å; Q518-R520 PolarHBondContact O-N 3.19Å
521	H	80.9	Confident	81.1	Confident	91 Å²	91	80.9 Å²	80.9	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-78.8	-48.9	-178	-60.1	-60.8	0	0	0	111.9	E503 C504 Q518 G523	E503-H521 IonicContact OE1-CD2 3.72Å; E503-H521 IonicContact OE1-CG 2.7Å; E503-H521 WeakPolarHBondContact OE2-CB 3.22Å; E503-H521 IonicContact OE2-CG 3.73Å; C504-H521 WeakPolarHBondContact CB-NE2 3.44Å; Q518-H521 PolarHBondContact O-N 3.2Å; H521-G523 PolarHBondContact O-N 3.26Å
522	S	79	Confident	80.8	Confident	81 Å²	81	75.7 Å²	75.7	57%	0.566	40%	0.395	S	S	*	.	S	Bend	trans	-68.8	0.1	178	66.5	0	0	0	0	114.4	Q518 A524	Q518-S522 PolarHBondContact O-N 3.31Å; Q518-S522 VanDerWaalsContact O-N 3.08Å; Q518-S522 PolarHBondContact O-OG 3.15Å; S522-A524 PolarHBondContact O-N 2.71Å
523	G	77.5	Confident	80.5	Confident	40 Å²	40	72 Å²	72	41%	0.412	39%	0.389	S	S	.	.			trans	71.1	-19.9	-176.2	0	0	0	0	0	114.7	M519 H521 R537	M519-G523 CarbonylContact O-C 3.56Å; M519-G523 PolarHBondContact O-N 3.41Å; H521-G523 PolarHBondContact O-N 3.26Å; G523-R537 PolarHBondContact O-NH2 3.02Å
524	A	76	Confident	80.4	Confident	44 Å²	44	72.8 Å²	72.8	36%	0.364	39%	0.391	S	S	.	.			trans	-51.9	135.9	-170.5	0	0	0	0	0	113.6	M519 S522 R537	M519-A524 PolarHBondContact O-N 2.83Å; S522-A524 PolarHBondContact O-N 2.71Å; A524-R537 WeakPolarHBondContact O-CG 3.45Å; A524-R537 PolarHBondContact O-NE 2.98Å
525	K	79.6	Confident	80.3	Confident	93 Å²	93	75.9 Å²	75.9	40%	0.404	41%	0.405	S	S	.	.			trans	-135.8	78	177.1	-62.6	167.9	178.7	-177.4	0	108.9	L527 Q535 C536 R537	K525-L527 PolarHBondContact O-N 3.4Å; K525-Q535 HydrophobicContact CB-CB 3.73Å; K525-Q535 HydrophobicContact CD-CB 3.54Å; K525-Q535 WeakPolarHBondContact CD-O 3.42Å; K525-Q535 HydrophobicContact CG-CB 4.31Å; K525-C536 CarbonylContact C-O 3.53Å; K525-C536 VanDerWaalsContact C-O 3.32Å; K525-C536 VanDerWaalsContact CA-O 3.27Å; K525-C536 WeakPolarHBondContact CA-O 3.42Å; K525-C536 WeakPolarHBondContact CB-O 3.3Å; K525-R537 HydrophobicContact CG-CG 4.26Å
526	P	78.1	Confident	80.2	Confident	89 Å²	89	71.7 Å²	71.7	58%	0.578	38%	0.384	S	S	*	.			trans	-71.7	0.5	-170.4	29.8	-36.4	0	0	0	114.5	M519	M519-P526 HydrophobicContact SD-CG 4.15Å
527	L	81.1	Confident	80.2	Confident	42 Å²	42	73.3 Å²	73.3	22%	0.22	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.1	-176.6	-62.1	174.1	0	0	0	109.6	K525 Q535 C536 R539 L542	K525-L527 PolarHBondContact O-N 3.4Å; L527-Q535 CarbonylContact O-C 3.6Å; L527-Q535 WeakPolarHBondContact O-CA 3.11Å; L527-C536 PolarHBondContact N-O 2.85Å; L527-C536 PolarHBondContact O-N 3.3Å; L527-R539 HydrophobicContact CD1-CB 4.35Å; L527-R539 HydrophobicContact CD1-CG 3.84Å; L527-R539 HydrophobicContact CD2-CG 4.44Å; L527-L542 HydrophobicContact CB-CD2 4.39Å
528	Q	84.2	Confident	80.2	Confident	106 Å²	106	76.8 Å²	76.8	50%	0.495	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.8	179.1	-175.4	161.4	-44.1	0	0	110.8	Q535	Q528-Q535 HydrophobicContact CB-CG 4.03Å; Q528-Q535 HydrophobicContact CG-CG 3.93Å
529	C	82.4	Confident	80.2	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	42%	0.42	C	S	.	.			trans	-80.7	125.5	167	-175.6	0	0	0	0	110.4	I531 G533 F534 L542 H545 M546 H549	C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 3.1Å; C529-I531 PolarHBondContact SG-N 2.94Å; C529-G533 WeakPolarHBondContact O-CA 3.2Å; C529-G533 PolarHBondContact O-N 3.29Å; C529-F534 HydrophobicContact CB-CB 4.16Å; C529-F534 WeakPolarHBondContact CB-O 3.09Å; C529-F534 PolarHBondContact N-O 3.44Å; C529-L542 HydrophobicContact CB-CD1 4.14Å; C529-H545 WeakPolarHBondContact CB-NE2 3.24Å; C529-H545 PolarHBondContact SG-NE2 3.04Å; C529-M546 HydrophobicContact CB-CE 4.18Å; C529-M546 WeakPolarHBondContact SG-CE 3.46Å; C529-M546 VanDerWaalsContact SG-SD 3.66Å; C529-H549 PolarHBondContact SG-CD2 2.73Å; C529-H549 PolarHBondContact SG-NE2 3.46Å; C529-H549 VanDerWaalsContact SG-NE2 3.38Å
530	E	76.6	Confident	80.2	Confident	184 Å²	184	83.8 Å²	83.8	86%	0.86	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.8	177.2	-68.4	160.4	-162.3	0	0	112.4
531	I	71.3	Confident	80.3	Confident	114 Å²	114	78.1 Å²	78.1	59%	0.585	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-38.9	-174.4	-58.8	173.1	0	0	0	112.3	C529 M546 H549	C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 3.1Å; C529-I531 PolarHBondContact SG-N 2.94Å; I531-M546 HydrophobicContact CD1-SD 4.09Å; I531-H549 HydrophobicContact CD1-CB 3.81Å
532	C	74.4	Confident	80.6	Confident	69 Å²	69	75.3 Å²	75.3	47%	0.466	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	6.1	-176	75.5	0	0	0	0	115.4	F534 H545 H549	C532-F534 PolarHBondContact O-N 2.96Å; C532-F534 WeakPolarHBondContact SG-CB 3.26Å; C532-H545 PolarHBondContact SG-CE1 2.97Å; C532-H545 PolarHBondContact SG-NE2 3.28Å; C532-H549 PolarHBondContact SG-NE2 3.17Å
533	G	77.1	Confident	80.9	Confident	34 Å²	34	79.3 Å²	79.3	35%	0.351	42%	0.419	S	S	.	.			trans	71.4	1.8	-177.5	0	0	0	0	0	115.3	C529 Q535	C529-G533 WeakPolarHBondContact O-CA 3.2Å; C529-G533 PolarHBondContact O-N 3.29Å; G533-Q535 PolarHBondContact O-N 2.79Å; G533-Q535 VanDerWaalsContact O-N 3.16Å
534	F	79.9	Confident	81.2	Confident	101 Å²	101	84.7 Å²	84.7	44%	0.443	43%	0.428	S	S	.	.			trans	-61.4	118.2	-179.3	175.1	-101.6	0	0	0	112.1	C529 C532 C536 H545	C529-F534 HydrophobicContact CB-CB 4.16Å; C529-F534 WeakPolarHBondContact CB-O 3.09Å; C529-F534 PolarHBondContact N-O 3.44Å; C532-F534 PolarHBondContact O-N 2.96Å; C532-F534 WeakPolarHBondContact SG-CB 3.26Å; F534-C536 HydrophobicContact CE1-CB 3.87Å; F534-C536 HydrophobicContact CZ-CB 4.42Å; F534-H545 HydrophobicContact CD1-CB 4.36Å; F534-H545 AromaticContact CD1-CD2 3.63Å; F534-H545 AromaticContact CD1-CG 3.71Å; F534-H545 AromaticContact CD1-ND1 3.96Å; F534-H545 AromaticContact CD1-NE2 3.79Å; F534-H545 HydrophobicContact CE1-CB 4.41Å
535	Q	83.4	Confident	81.6	Confident	83 Å²	83	84 Å²	84	39%	0.388	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.8	-178.9	-68.5	179.9	-13	0	0	112.5	K525 L527 Q528 G533	K525-Q535 HydrophobicContact CB-CB 3.73Å; K525-Q535 HydrophobicContact CD-CB 3.54Å; K525-Q535 WeakPolarHBondContact CD-O 3.42Å; K525-Q535 HydrophobicContact CG-CB 4.31Å; L527-Q535 CarbonylContact O-C 3.6Å; L527-Q535 WeakPolarHBondContact O-CA 3.11Å; Q528-Q535 HydrophobicContact CB-CG 4.03Å; Q528-Q535 HydrophobicContact CG-CG 3.93Å; G533-Q535 PolarHBondContact O-N 2.79Å; G533-Q535 VanDerWaalsContact O-N 3.16Å
536	C	83.1	Confident	81.6	Confident	10 Å²	10	82 Å²	82	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-179.3	179.1	73.3	0	0	0	0	113.4	K525 L527 F534	K525-C536 CarbonylContact C-O 3.53Å; K525-C536 VanDerWaalsContact C-O 3.32Å; K525-C536 VanDerWaalsContact CA-O 3.27Å; K525-C536 WeakPolarHBondContact CA-O 3.42Å; K525-C536 WeakPolarHBondContact CB-O 3.3Å; L527-C536 PolarHBondContact N-O 2.85Å; L527-C536 PolarHBondContact O-N 3.3Å; F534-C536 HydrophobicContact CE1-CB 3.87Å; F534-C536 HydrophobicContact CZ-CB 4.42Å
537	R	84.3	Confident	81.8	Confident	77 Å²	77	81.2 Å²	81.2	29%	0.291	40%	0.404	S	S	.	.	S	Bend	trans	-112.5	-6.5	-170.2	-64.2	-178.8	173.5	109.3	-7	115.2	M519 G523 A524 K525	M519-R537 HydrophobicContact CB-CG 4.2Å; M519-R537 PolarHBondContact O-NE 3.45Å; M519-R537 PolarHBondContact O-NH2 3.24Å; M519-R537 HydrophobicContact SD-CB 4.31Å; G523-R537 PolarHBondContact O-NH2 3.02Å; A524-R537 WeakPolarHBondContact O-CG 3.45Å; A524-R537 PolarHBondContact O-NE 2.98Å; K525-R537 HydrophobicContact CG-CG 4.26Å
538	Q	84.7	Confident	81.7	Confident	93 Å²	93	83.9 Å²	83.9	44%	0.435	41%	0.413	S	S	.	.			trans	-141.7	135.8	-173.7	-59.6	-178.1	19.5	0	0	110.5	V516 A540 S541 L542	V516-Q538 HydrophobicContact CG1-CG 3.59Å; V516-Q538 VanDerWaalsContact CG1-NE2 3.33Å; Q538-A540 PolarHBondContact O-N 2.92Å; Q538-S541 WeakPolarHBondContact O-CB 3.49Å; Q538-S541 PolarHBondContact O-N 2.82Å; Q538-L542 PolarHBondContact O-N 3.04Å; Q538-L542 VanDerWaalsContact O-N 3.08Å
539	R	84.4	Confident	81.3	Confident	173 Å²	173	79.7 Å²	79.7	65%	0.653	39%	0.394	S	S	*	.	H	α-helix	trans	-57	-34.5	176.4	-69.3	-172.9	-177.9	174	2.1	111.9	E370 L527 L542 K543	E370-R539 IonicContact OE2-NH1 3.27Å; E370-R539 PolarHBondContact OE2-NH1 2.99Å; L527-R539 HydrophobicContact CD1-CB 4.35Å; L527-R539 HydrophobicContact CD1-CG 3.84Å; L527-R539 HydrophobicContact CD2-CG 4.44Å; R539-L542 PolarHBondContact O-N 3.1Å; R539-K543 WeakPolarHBondContact O-CB 3.17Å; R539-K543 PolarHBondContact O-N 3.05Å
540	A	84.7	Confident	80.9	Confident	67 Å²	67	86.6 Å²	86.6	55%	0.554	42%	0.424	S	S	*	.	H	α-helix	trans	-63.4	-41.2	174.6	0	0	0	0	0	113	Q538 K543 Y544	Q538-A540 PolarHBondContact O-N 2.92Å; A540-K543 PolarHBondContact O-N 2.41Å; A540-Y544 PolarHBondContact O-N 2.47Å
541	S	84.4	Confident	80.6	Confident	50 Å²	50	80.6 Å²	80.6	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-66.1	-39.4	174.6	-54	0	0	0	0	111.8	Q538 H545	Q538-S541 WeakPolarHBondContact O-CB 3.49Å; Q538-S541 PolarHBondContact O-N 2.82Å; S541-H545 VanDerWaalsContact O-CB 3.28Å; S541-H545 WeakPolarHBondContact O-CB 3.1Å; S541-H545 PolarHBondContact O-N 3.4Å
542	L	86.1	Confident	80.3	Confident	32 Å²	32	79 Å²	79	17%	0.168	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-45.8	173.8	-168	70.1	0	0	0	111	L527 C529 Q538 R539 Y544 H545 M546	L527-L542 HydrophobicContact CB-CD2 4.39Å; C529-L542 HydrophobicContact CB-CD1 4.14Å; Q538-L542 PolarHBondContact O-N 3.04Å; Q538-L542 VanDerWaalsContact O-N 3.08Å; R539-L542 PolarHBondContact O-N 3.1Å; L542-Y544 PolarHBondContact O-N 2.82Å; L542-H545 CarbonylContact O-C 3.39Å; L542-H545 PolarHBondContact O-N 3.3Å; L542-H545 VanDerWaalsContact O-N 3.16Å; L542-M546 HydrophobicContact CD1-CE 4.4Å; L542-M546 HydrophobicContact CG-CG 4.46Å; L542-M546 WeakPolarHBondContact O-CG 3.16Å; L542-M546 PolarHBondContact O-N 3.17Å
543	K	85.5	Confident	79.8	Confident	165 Å²	165	79.1 Å²	79.1	72%	0.717	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-43.4	178.3	-169.5	174.7	-177.3	178.1	0	112	R539 A540 M546 T547	R539-K543 WeakPolarHBondContact O-CB 3.17Å; R539-K543 PolarHBondContact O-N 3.05Å; A540-K543 PolarHBondContact O-N 2.41Å; K543-M546 PolarHBondContact O-N 3.14Å; K543-T547 PolarHBondContact O-N 3.18Å; K543-T547 VanDerWaalsContact O-N 3.1Å
544	Y	84.7	Confident	79.2	Confident	152 Å²	152	84.5 Å²	84.5	60%	0.596	41%	0.41	S	S	*	.	H	α-helix	trans	-65.4	-39.6	173.9	178.2	-92.2	0	0	0	112.8	A540 L542 T547 K548	A540-Y544 PolarHBondContact O-N 2.47Å; L542-Y544 PolarHBondContact O-N 2.82Å; Y544-T547 PolarHBondContact O-N 2.92Å; Y544-T547 PolarHBondContact O-OG1 3.26Å; Y544-K548 HydrophobicContact CE1-CG 4.5Å; Y544-K548 PolarHBondContact O-N 3.35Å; Y544-K548 WeakPolarHBondContact OH-CE 3.49Å
545	H	84.1	Confident	79	Confident	30 Å²	30	81.7 Å²	81.7	14%	0.139	40%	0.4	C	S	.	.	H	α-helix	trans	-66	-38.3	175.1	168.4	61.8	0	0	0	111.8	C529 C532 F534 S541 L542 T547 K548 H549	C529-H545 WeakPolarHBondContact CB-NE2 3.24Å; C529-H545 PolarHBondContact SG-NE2 3.04Å; C532-H545 PolarHBondContact SG-CE1 2.97Å; C532-H545 PolarHBondContact SG-NE2 3.28Å; F534-H545 HydrophobicContact CD1-CB 4.36Å; F534-H545 AromaticContact CD1-CD2 3.63Å; F534-H545 AromaticContact CD1-CG 3.71Å; F534-H545 AromaticContact CD1-ND1 3.96Å; F534-H545 AromaticContact CD1-NE2 3.79Å; F534-H545 HydrophobicContact CE1-CB 4.41Å; S541-H545 VanDerWaalsContact O-CB 3.28Å; S541-H545 WeakPolarHBondContact O-CB 3.1Å; S541-H545 PolarHBondContact O-N 3.4Å; L542-H545 CarbonylContact O-C 3.39Å; L542-H545 PolarHBondContact O-N 3.3Å; L542-H545 VanDerWaalsContact O-N 3.16Å; H545-T547 VanDerWaalsContact C-N 3.32Å; H545-T547 PolarHBondContact O-N 3.45Å; H545-K548 WeakPolarHBondContact O-CA 3.37Å; H545-K548 VanDerWaalsContact O-CB 3.31Å; H545-K548 WeakPolarHBondContact O-CB 3.24Å; H545-K548 PolarHBondContact O-N 2.61Å; H545-H549 AromaticContact CE1-CD2 3.86Å; H545-H549 AromaticContact CE1-CE1 3.77Å; H545-H549 AromaticContact CE1-NE2 3.26Å; H545-H549 PolarHBondContact CE1-NE2 3.2Å; H545-H549 VanDerWaalsContact CE1-NE2 3.26Å; H545-H549 AromaticContact NE2-CD2 3.67Å; H545-H549 AromaticContact NE2-NE2 3.23Å; H545-H549 PolarHBondContact NE2-NE2 2.82Å; H545-H549 PolarHBondContact O-N 3.43Å; H545-H549 VanDerWaalsContact O-N 3.16Å
546	M	79.8	Confident	78.6	Confident	50 Å²	50	83.9 Å²	83.9	25%	0.246	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-27.9	173.6	-68.9	-62.5	-168.6	0	0	113.2	C529 I531 L542 K543 K548 H549 K550	C529-M546 HydrophobicContact CB-CE 4.18Å; C529-M546 WeakPolarHBondContact SG-CE 3.46Å; C529-M546 VanDerWaalsContact SG-SD 3.66Å; I531-M546 HydrophobicContact CD1-SD 4.09Å; L542-M546 HydrophobicContact CD1-CE 4.4Å; L542-M546 HydrophobicContact CG-CG 4.46Å; L542-M546 WeakPolarHBondContact O-CG 3.16Å; L542-M546 PolarHBondContact O-N 3.17Å; K543-M546 PolarHBondContact O-N 3.14Å; M546-K548 VanDerWaalsContact C-N 3.28Å; M546-H549 PolarHBondContact O-N 2.96Å; M546-K550 PolarHBondContact O-N 3.31Å
547	T	82.6	Confident	78.2	Confident	74 Å²	74	86.9 Å²	86.9	45%	0.454	43%	0.426	S	S	.	.	H	α-helix	trans	-72.6	-21.5	170.4	62.4	0	0	0	0	112.9	K543 Y544 H545 A551	K543-T547 PolarHBondContact O-N 3.18Å; K543-T547 VanDerWaalsContact O-N 3.1Å; Y544-T547 PolarHBondContact O-N 2.92Å; Y544-T547 PolarHBondContact O-OG1 3.26Å; H545-T547 VanDerWaalsContact C-N 3.32Å; H545-T547 PolarHBondContact O-N 3.45Å; T547-A551 WeakPolarHBondContact O-CB 3.37Å; T547-A551 PolarHBondContact O-N 2.83Å
548	K	78.1	Confident	78	Confident	98 Å²	98	84.9 Å²	84.9	43%	0.426	43%	0.426	S	S	.	.	H	α-helix	trans	-68.7	-47	165.5	-64.7	-57.4	-170	177.9	0	111.3	Y544 H545 M546 K550 A551 E552	Y544-K548 HydrophobicContact CE1-CG 4.5Å; Y544-K548 PolarHBondContact O-N 3.35Å; Y544-K548 WeakPolarHBondContact OH-CE 3.49Å; H545-K548 WeakPolarHBondContact O-CA 3.37Å; H545-K548 VanDerWaalsContact O-CB 3.31Å; H545-K548 WeakPolarHBondContact O-CB 3.24Å; H545-K548 PolarHBondContact O-N 2.61Å; M546-K548 VanDerWaalsContact C-N 3.28Å; K548-K550 VanDerWaalsContact C-N 3.29Å; K548-K550 PolarHBondContact O-N 3.29Å; K548-A551 CarbonylContact O-C 3.52Å; K548-A551 PolarHBondContact O-N 2.7Å; K548-A551 VanDerWaalsContact O-N 3.14Å; K548-E552 WeakPolarHBondContact O-CB 3.47Å; K548-E552 VanDerWaalsContact O-CG 3.22Å; K548-E552 WeakPolarHBondContact O-CG 3.3Å; K548-E552 PolarHBondContact O-N 3.49Å
549	H	75.4	Confident	77.9	Confident	17 Å²	17	80.5 Å²	80.5	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-36.2	173.7	-73	-32.5	0	0	0	113.6	C529 I531 C532 H545 M546 E552 T553	C529-H549 PolarHBondContact SG-CD2 2.73Å; C529-H549 PolarHBondContact SG-NE2 3.46Å; C529-H549 VanDerWaalsContact SG-NE2 3.38Å; I531-H549 HydrophobicContact CD1-CB 3.81Å; C532-H549 PolarHBondContact SG-NE2 3.17Å; H545-H549 AromaticContact CE1-CD2 3.86Å; H545-H549 AromaticContact CE1-CE1 3.77Å; H545-H549 AromaticContact CE1-NE2 3.26Å; H545-H549 PolarHBondContact CE1-NE2 3.2Å; H545-H549 VanDerWaalsContact CE1-NE2 3.26Å; H545-H549 AromaticContact NE2-CD2 3.67Å; H545-H549 AromaticContact NE2-NE2 3.23Å; H545-H549 PolarHBondContact NE2-NE2 2.82Å; H545-H549 PolarHBondContact O-N 3.43Å; H545-H549 VanDerWaalsContact O-N 3.16Å; M546-H549 PolarHBondContact O-N 2.96Å; H549-E552 IonicContact CE1-OE2 3.78Å; H549-E552 IonicContact CG-OE2 2.72Å; H549-E552 IonicContact ND1-OE2 3.22Å; H549-E552 PolarHBondContact ND1-OE2 3.18Å; H549-E552 CarbonylContact O-C 3.56Å; H549-E552 PolarHBondContact O-N 3.12Å; H549-T553 WeakPolarHBondContact O-CG2 2.93Å; H549-T553 PolarHBondContact O-N 3.03Å; H549-T553 PolarHBondContact O-OG1 2.72Å
550	K	73.3	Confident	77.6	Confident	146 Å²	146	79.7 Å²	79.7	64%	0.635	42%	0.415	S	S	*	.	H	α-helix	trans	-62.4	-50.5	171.1	-71.7	-166.1	173.3	-158.5	0	112.2	M546 K548 E552 T553 E554	M546-K550 PolarHBondContact O-N 3.31Å; K548-K550 VanDerWaalsContact C-N 3.29Å; K548-K550 PolarHBondContact O-N 3.29Å; K550-E552 PolarHBondContact O-N 3.35Å; K550-T553 WeakPolarHBondContact CA-OG1 3.18Å; K550-T553 PolarHBondContact O-N 3.28Å; K550-T553 PolarHBondContact O-OG1 2.86Å; K550-E554 WeakPolarHBondContact O-CG 3.43Å; K550-E554 PolarHBondContact O-N 3.3Å; K550-E554 VanDerWaalsContact O-N 3.11Å
551	A	70.3	Confident	77	Confident	58 Å²	58	80.9 Å²	80.9	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-63.4	-21.1	175.7	0	0	0	0	0	113.7	T547 K548 L555	T547-A551 WeakPolarHBondContact O-CB 3.37Å; T547-A551 PolarHBondContact O-N 2.83Å; K548-A551 CarbonylContact O-C 3.52Å; K548-A551 PolarHBondContact O-N 2.7Å; K548-A551 VanDerWaalsContact O-N 3.14Å; A551-L555 WeakPolarHBondContact O-CG 3.39Å
552	E	66.8	Low	76.6	Confident	81 Å²	81	81.2 Å²	81.2	38%	0.379	41%	0.41	S	S	.	.	H	α-helix	trans	-83.5	-31.3	171.6	-70.7	156.4	-168.6	0	0	111.9	K548 H549 K550 L555 R565	K548-E552 WeakPolarHBondContact O-CB 3.47Å; K548-E552 VanDerWaalsContact O-CG 3.22Å; K548-E552 WeakPolarHBondContact O-CG 3.3Å; K548-E552 PolarHBondContact O-N 3.49Å; H549-E552 IonicContact CE1-OE2 3.78Å; H549-E552 IonicContact CG-OE2 2.72Å; H549-E552 IonicContact ND1-OE2 3.22Å; H549-E552 PolarHBondContact ND1-OE2 3.18Å; H549-E552 CarbonylContact O-C 3.56Å; H549-E552 PolarHBondContact O-N 3.12Å; K550-E552 PolarHBondContact O-N 3.35Å; E552-L555 VanDerWaalsContact O-CB 3.22Å; E552-L555 WeakPolarHBondContact O-CB 3.3Å; E552-L555 WeakPolarHBondContact O-CG 3.32Å; E552-L555 PolarHBondContact O-N 3.37Å; E552-R565 VanDerWaalsContact O-CB 3.31Å; E552-R565 WeakPolarHBondContact O-CB 3.38Å; E552-R565 WeakPolarHBondContact O-CD 3.26Å
553	T	63.7	Low	75.9	Confident	70 Å²	70	82.6 Å²	82.6	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-75.2	-25	175.2	49.4	0	0	0	0	113.8	H549 K550 L555 R565	H549-T553 WeakPolarHBondContact O-CG2 2.93Å; H549-T553 PolarHBondContact O-N 3.03Å; H549-T553 PolarHBondContact O-OG1 2.72Å; K550-T553 WeakPolarHBondContact CA-OG1 3.18Å; K550-T553 PolarHBondContact O-N 3.28Å; K550-T553 PolarHBondContact O-OG1 2.86Å; T553-L555 PolarHBondContact O-N 2.98Å; T553-R565 PolarHBondContact O-NH1 2.79Å
554	E	64.9	Low	75.3	Confident	148 Å²	148	82.6 Å²	82.6	69%	0.692	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-0.9	166.1	-51.1	-50.7	132.1	0	0	112.9	K550	K550-E554 WeakPolarHBondContact O-CG 3.43Å; K550-E554 PolarHBondContact O-N 3.3Å; K550-E554 VanDerWaalsContact O-N 3.11Å
555	L	74	Confident	75.1	Confident	42 Å²	42	80.1 Å²	80.1	22%	0.22	42%	0.417	C	S	.	.			trans	-95.6	114.6	173.6	-48.4	177.5	0	0	0	109.1	A551 E552 T553 F557 R565 E567	A551-L555 WeakPolarHBondContact O-CG 3.39Å; E552-L555 VanDerWaalsContact O-CB 3.22Å; E552-L555 WeakPolarHBondContact O-CB 3.3Å; E552-L555 WeakPolarHBondContact O-CG 3.32Å; E552-L555 PolarHBondContact O-N 3.37Å; T553-L555 PolarHBondContact O-N 2.98Å; L555-F557 VanDerWaalsContact C-N 3.33Å; L555-F557 PolarHBondContact O-N 2.99Å; L555-R565 HydrophobicContact CB-CB 3.9Å; L555-R565 HydrophobicContact CD1-CB 4.37Å; L555-R565 PolarHBondContact O-NH1 3.3Å; L555-E567 HydrophobicContact CD2-CB 4.05Å; L555-E567 HydrophobicContact CD2-CG 4.43Å
556	D	75.6	Confident	74.7	Confident	129 Å²	129	80.6 Å²	80.6	69%	0.69	42%	0.419	S	S	*	.			trans	-63.7	-34.9	-172.4	-56.4	-59.1	0	0	0	113.5	A558	D556-A558 PolarHBondContact O-N 3.42Å
557	F	75.5	Confident	74.7	Confident	72 Å²	72	83.7 Å²	83.7	32%	0.316	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	90.9	-166.9	-55.2	-78.4	0	0	0	111.3	L555 R565 F566 K568 A569 L572	L555-F557 VanDerWaalsContact C-N 3.33Å; L555-F557 PolarHBondContact O-N 2.99Å; F557-R565 CarbonylContact O-C 3.55Å; F557-R565 WeakPolarHBondContact O-CA 3.45Å; F557-F566 HydrophobicContact CB-CB 4.38Å; F557-F566 WeakPolarHBondContact CB-O 3.5Å; F557-F566 WeakPolarHBondContact CD2-O 3.06Å; F557-F566 PolarHBondContact N-O 2.96Å; F557-F566 WeakPolarHBondContact O-CD2 3.17Å; F557-F566 PolarHBondContact O-N 3.3Å; F557-K568 VanDerWaalsContact CD2-C 3.41Å; F557-A569 HydrophobicContact CD1-CB 3.75Å; F557-A569 VanDerWaalsContact CD2-N 3.29Å; F557-A569 HydrophobicContact CE1-CB 3.63Å; F557-A569 HydrophobicContact CG-CB 4.28Å; F557-A569 HydrophobicContact CZ-CB 4.04Å; F557-L572 HydrophobicContact CB-CB 4.06Å; F557-L572 HydrophobicContact CB-CD2 3.89Å
558	A	80.3	Confident	74.6	Confident	35 Å²	35	85.4 Å²	85.4	29%	0.289	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	152.7	174.4	0	0	0	0	0	113	D556 R564 R565 L572	D556-A558 PolarHBondContact O-N 3.42Å; A558-R564 CarbonylContact C-O 3.01Å; A558-R565 HydrophobicContact CB-CG 4.01Å; A558-L572 WeakPolarHBondContact O-CD1 3.38Å; A558-L572 WeakPolarHBondContact O-CD2 3.48Å
559	C	81.9	Confident	74.8	Confident	2 Å²	2	83.2 Å²	83.2	1%	0.014	43%	0.434	C	S	.	.			trans	-99.3	115.6	168.8	164	0	0	0	0	110	Q561 C562 G563 R564 F566 L572 H575 M576	C559-Q561 PolarHBondContact O-N 3.31Å; C559-C562 PolarHBondContact O-N 3.16Å; C559-C562 PolarHBondContact SG-N 3.34Å; C559-C562 PolarHBondContact SG-SG 3.33Å; C559-G563 WeakPolarHBondContact O-CA 3.36Å; C559-G563 PolarHBondContact O-N 3.4Å; C559-R564 HydrophobicContact CB-CB 4.48Å; C559-R564 WeakPolarHBondContact CB-O 2.76Å; C559-R564 PolarHBondContact N-O 3.45Å; C559-F566 HydrophobicContact CB-CE2 4.23Å; C559-L572 HydrophobicContact CB-CD1 3.78Å; C559-H575 PolarHBondContact SG-NE2 2.62Å; C559-M576 HydrophobicContact CB-CE 3.89Å; C559-M576 WeakPolarHBondContact SG-CE 3.46Å
560	D	78.4	Confident	75.1	Confident	156 Å²	156	88.6 Å²	88.6	83%	0.834	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.2	-176.2	-49	-68.7	0	0	0	113.5
561	Q	72.4	Confident	75.5	Confident	92 Å²	92	85 Å²	85	43%	0.43	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-18	-178.5	-71.1	178	64.5	0	0	115	C559 H580 T583	C559-Q561 PolarHBondContact O-N 3.31Å; Q561-H580 WeakPolarHBondContact CB-CE1 3.48Å; Q561-H580 WeakPolarHBondContact CB-ND1 3.42Å; Q561-H580 VanDerWaalsContact CD-ND1 3.29Å; Q561-H580 PolarHBondContact OE1-ND1 3.28Å; Q561-T583 PolarHBondContact NE2-OG1 2.99Å
562	C	75.8	Confident	76.1	Confident	57 Å²	57	83.7 Å²	83.7	39%	0.385	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.9	9.2	178.5	79	0	0	0	0	115.7	C559 R564 H575	C559-C562 PolarHBondContact O-N 3.16Å; C559-C562 PolarHBondContact SG-N 3.34Å; C559-C562 PolarHBondContact SG-SG 3.33Å; C562-R564 PolarHBondContact O-N 2.88Å; C562-H575 PolarHBondContact SG-NE2 2.85Å
563	G	71.4	Confident	76.9	Confident	61 Å²	61	83.9 Å²	83.9	63%	0.629	44%	0.435	S	S	*	.			trans	69.9	-3.3	174	0	0	0	0	0	115.9	C559	C559-G563 WeakPolarHBondContact O-CA 3.36Å; C559-G563 PolarHBondContact O-N 3.4Å
564	R	72.9	Confident	77.8	Confident	165 Å²	165	83.2 Å²	83.2	62%	0.623	43%	0.431	S	S	*	.			trans	-65.7	137.3	177.8	-70.2	-178.6	-178	-137.7	-0	110.7	A558 C559 C562 F566	A558-R564 CarbonylContact C-O 3.01Å; C559-R564 HydrophobicContact CB-CB 4.48Å; C559-R564 WeakPolarHBondContact CB-O 2.76Å; C559-R564 PolarHBondContact N-O 3.45Å; C562-R564 PolarHBondContact O-N 2.88Å; R564-F566 HydrophobicContact CB-CE2 3.7Å; R564-F566 HydrophobicContact CB-CZ 3.85Å; R564-F566 WeakPolarHBondContact O-CE2 3.33Å
565	R	79.3	Confident	78.7	Confident	99 Å²	99	77 Å²	77	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.4	177.3	-61.3	-179.3	158.6	-122.3	7	111.9	E552 T553 L555 F557 A558	E552-R565 VanDerWaalsContact O-CB 3.31Å; E552-R565 WeakPolarHBondContact O-CB 3.38Å; E552-R565 WeakPolarHBondContact O-CD 3.26Å; T553-R565 PolarHBondContact O-NH1 2.79Å; L555-R565 HydrophobicContact CB-CB 3.9Å; L555-R565 HydrophobicContact CD1-CB 4.37Å; L555-R565 PolarHBondContact O-NH1 3.3Å; F557-R565 CarbonylContact O-C 3.55Å; F557-R565 WeakPolarHBondContact O-CA 3.45Å; A558-R565 HydrophobicContact CB-CG 4.01Å
566	F	76.6	Confident	78.9	Confident	41 Å²	41	76.3 Å²	76.3	18%	0.18	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.6	-170.7	-60.5	-90.3	0	0	0	111.2	F557 C559 R564 K568 N571 L572 H575	F557-F566 HydrophobicContact CB-CB 4.38Å; F557-F566 WeakPolarHBondContact CB-O 3.5Å; F557-F566 WeakPolarHBondContact CD2-O 3.06Å; F557-F566 PolarHBondContact N-O 2.96Å; F557-F566 WeakPolarHBondContact O-CD2 3.17Å; F557-F566 PolarHBondContact O-N 3.3Å; C559-F566 HydrophobicContact CB-CE2 4.23Å; R564-F566 HydrophobicContact CB-CE2 3.7Å; R564-F566 HydrophobicContact CB-CZ 3.85Å; R564-F566 WeakPolarHBondContact O-CE2 3.33Å; F566-K568 PolarHBondContact O-N 2.97Å; F566-K568 VanDerWaalsContact O-N 3.16Å; F566-N571 HydrophobicContact CB-CB 4.1Å; F566-N571 HydrophobicContact CD1-CB 4Å; F566-N571 HydrophobicContact CG-CB 4.38Å; F566-L572 HydrophobicContact CB-CB 4.33Å; F566-L572 HydrophobicContact CD2-CB 4.04Å; F566-L572 HydrophobicContact CD2-CD1 3.9Å; F566-L572 HydrophobicContact CE2-CD1 4.07Å; F566-L572 HydrophobicContact CG-CB 4.33Å; F566-H575 HydrophobicContact CE1-CB 3.97Å; F566-H575 HydrophobicContact CE2-CB 4.17Å; F566-H575 AromaticContact CE2-CD2 3.24Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.44Å; F566-H575 AromaticContact CE2-CG 3.87Å; F566-H575 AromaticContact CE2-NE2 3.99Å; F566-H575 HydrophobicContact CZ-CB 3.62Å; F566-H575 AromaticContact CZ-CD2 3.2Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.37Å; F566-H575 AromaticContact CZ-CG 3.37Å; F566-H575 AromaticContact CZ-NE2 3.89Å
567	E	79.4	Confident	79.1	Confident	115 Å²	115	72.6 Å²	72.6	54%	0.537	38%	0.382	S	S	.	.	S	Bend	trans	-60.1	-24.1	179.8	-166.8	-161.2	132.4	0	0	113.7	L555	L555-E567 HydrophobicContact CD2-CB 4.05Å; L555-E567 HydrophobicContact CD2-CG 4.43Å
568	K	81.1	Confident	79.3	Confident	110 Å²	110	76.2 Å²	76.2	48%	0.478	40%	0.402	S	S	.	.	S	Bend	trans	-146.1	138.4	-169.9	-66.2	178	171.3	126.7	0	111	F557 F566 H570 N571 L572	F557-K568 VanDerWaalsContact CD2-C 3.41Å; F566-K568 PolarHBondContact O-N 2.97Å; F566-K568 VanDerWaalsContact O-N 3.16Å; K568-H570 PolarHBondContact O-N 3.43Å; K568-H570 VanDerWaalsContact O-N 3.12Å; K568-N571 WeakPolarHBondContact O-CB 3.4Å; K568-N571 PolarHBondContact O-N 3.18Å; K568-L572 PolarHBondContact O-N 2.88Å
569	A	81.1	Confident	79.2	Confident	52 Å²	52	78.7 Å²	78.7	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-50.9	-36.1	175.5	0	0	0	0	0	113.4	F557 N571 L572 N573	F557-A569 HydrophobicContact CD1-CB 3.75Å; F557-A569 VanDerWaalsContact CD2-N 3.29Å; F557-A569 HydrophobicContact CE1-CB 3.63Å; F557-A569 HydrophobicContact CG-CB 4.28Å; F557-A569 HydrophobicContact CZ-CB 4.04Å; A569-N571 PolarHBondContact O-N 2.8Å; A569-L572 PolarHBondContact O-N 3.36Å; A569-N573 WeakPolarHBondContact O-CB 3.41Å; A569-N573 PolarHBondContact O-N 2.97Å
570	H	82.7	Confident	79.1	Confident	130 Å²	130	80 Å²	80	60%	0.602	42%	0.419	S	S	*	.	H	α-helix	trans	-60.4	-42.5	175.4	-179.1	78.8	0	0	0	112.5	K568 N573 V574	K568-H570 PolarHBondContact O-N 3.43Å; K568-H570 VanDerWaalsContact O-N 3.12Å; H570-N573 PolarHBondContact O-N 2.96Å; H570-V574 WeakPolarHBondContact O-CG2 3.48Å; H570-V574 PolarHBondContact O-N 2.72Å
571	N	81.8	Confident	78.6	Confident	69 Å²	69	75.9 Å²	75.9	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-68.7	-36.9	179.3	-64.2	-11.1	0	0	0	111.1	F566 K568 A569 H575	F566-N571 HydrophobicContact CB-CB 4.1Å; F566-N571 HydrophobicContact CD1-CB 4Å; F566-N571 HydrophobicContact CG-CB 4.38Å; K568-N571 WeakPolarHBondContact O-CB 3.4Å; K568-N571 PolarHBondContact O-N 3.18Å; A569-N571 PolarHBondContact O-N 2.8Å; N571-H575 WeakPolarHBondContact O-CB 3.33Å; N571-H575 PolarHBondContact O-N 2.81Å
572	L	83.4	Confident	78.2	Confident	31 Å²	31	78.1 Å²	78.1	16%	0.162	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-46.1	170.4	173.6	61.7	0	0	0	111.3	F557 A558 C559 F566 K568 A569 V574 H575 M576	F557-L572 HydrophobicContact CB-CB 4.06Å; F557-L572 HydrophobicContact CB-CD2 3.89Å; A558-L572 WeakPolarHBondContact O-CD1 3.38Å; A558-L572 WeakPolarHBondContact O-CD2 3.48Å; C559-L572 HydrophobicContact CB-CD1 3.78Å; F566-L572 HydrophobicContact CB-CB 4.33Å; F566-L572 HydrophobicContact CD2-CB 4.04Å; F566-L572 HydrophobicContact CD2-CD1 3.9Å; F566-L572 HydrophobicContact CE2-CD1 4.07Å; F566-L572 HydrophobicContact CG-CB 4.33Å; K568-L572 PolarHBondContact O-N 2.88Å; A569-L572 PolarHBondContact O-N 3.36Å; L572-V574 PolarHBondContact O-N 2.81Å; L572-H575 CarbonylContact O-C 3.52Å; L572-H575 WeakPolarHBondContact O-CA 3.43Å; L572-H575 WeakPolarHBondContact O-CB 3.26Å; L572-H575 PolarHBondContact O-N 3.19Å; L572-H575 VanDerWaalsContact O-N 3.14Å; L572-M576 HydrophobicContact CD1-CE 4.04Å; L572-M576 HydrophobicContact CD1-CG 4.33Å; L572-M576 WeakPolarHBondContact O-CG 3.31Å; L572-M576 PolarHBondContact O-N 3.2Å
573	N	82.3	Confident	77.4	Confident	85 Å²	85	77.3 Å²	77.3	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-66.5	-37.9	-179.7	-171.7	25.5	0	0	0	112.8	A569 H570 H575 M576 S577 Q584	A569-N573 WeakPolarHBondContact O-CB 3.41Å; A569-N573 PolarHBondContact O-N 2.97Å; H570-N573 PolarHBondContact O-N 2.96Å; N573-H575 VanDerWaalsContact C-N 3.33Å; N573-M576 PolarHBondContact O-N 3.37Å; N573-S577 PolarHBondContact O-N 2.81Å; N573-S577 PolarHBondContact O-OG 2.86Å; N573-Q584 PolarHBondContact OD1-NE2 3.26Å; N573-Q584 VanDerWaalsContact OD1-NE2 3.16Å
574	V	83.3	Confident	76.8	Confident	57 Å²	57	78.7 Å²	78.7	35%	0.345	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-38.9	170.9	171.6	0	0	0	0	110.8	H570 L572 S577 M578	H570-V574 WeakPolarHBondContact O-CG2 3.48Å; H570-V574 PolarHBondContact O-N 2.72Å; L572-V574 PolarHBondContact O-N 2.81Å; V574-S577 PolarHBondContact O-OG 3.39Å; V574-M578 HydrophobicContact CG1-CG 4.27Å; V574-M578 HydrophobicContact CG1-SD 3.73Å; V574-M578 VanDerWaalsContact O-CB 3.27Å; V574-M578 WeakPolarHBondContact O-CB 3.36Å; V574-M578 VanDerWaalsContact O-CG 3.28Å; V574-M578 WeakPolarHBondContact O-CG 3.34Å; V574-M578 PolarHBondContact O-N 3.3Å
575	H	82.9	Confident	75.6	Confident	16 Å²	16	75.2 Å²	75.2	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-65	-38.5	172.2	169	50.9	0	0	0	112.5	C559 C562 F566 N571 L572 N573 V579 H580	C559-H575 PolarHBondContact SG-NE2 2.62Å; C562-H575 PolarHBondContact SG-NE2 2.85Å; F566-H575 HydrophobicContact CE1-CB 3.97Å; F566-H575 HydrophobicContact CE2-CB 4.17Å; F566-H575 AromaticContact CE2-CD2 3.24Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.44Å; F566-H575 AromaticContact CE2-CG 3.87Å; F566-H575 AromaticContact CE2-NE2 3.99Å; F566-H575 HydrophobicContact CZ-CB 3.62Å; F566-H575 AromaticContact CZ-CD2 3.2Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.37Å; F566-H575 AromaticContact CZ-CG 3.37Å; F566-H575 AromaticContact CZ-NE2 3.89Å; N571-H575 WeakPolarHBondContact O-CB 3.33Å; N571-H575 PolarHBondContact O-N 2.81Å; L572-H575 CarbonylContact O-C 3.52Å; L572-H575 WeakPolarHBondContact O-CA 3.43Å; L572-H575 WeakPolarHBondContact O-CB 3.26Å; L572-H575 PolarHBondContact O-N 3.19Å; L572-H575 VanDerWaalsContact O-N 3.14Å; N573-H575 VanDerWaalsContact C-N 3.33Å; H575-V579 VanDerWaalsContact ND1-CG2 3.34Å; H575-V579 WeakPolarHBondContact ND1-CG2 3.44Å; H575-V579 WeakPolarHBondContact O-CA 3.25Å; H575-V579 VanDerWaalsContact O-CB 3.25Å; H575-V579 WeakPolarHBondContact O-CB 3.38Å; H575-V579 PolarHBondContact O-N 3.25Å; H575-H580 AromaticContact CE1-CD2 3.72Å; H575-H580 AromaticContact CE1-NE2 3.56Å; H575-H580 AromaticContact NE2-CD2 3.88Å; H575-H580 AromaticContact NE2-NE2 3.71Å
576	M	78.4	Confident	74.2	Confident	29 Å²	29	77.2 Å²	77.2	14%	0.143	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-52.1	174	-71.4	-60	95.5	0	0	111.4	C559 L572 N573 M578 H580	C559-M576 HydrophobicContact CB-CE 3.89Å; C559-M576 WeakPolarHBondContact SG-CE 3.46Å; L572-M576 HydrophobicContact CD1-CE 4.04Å; L572-M576 HydrophobicContact CD1-CG 4.33Å; L572-M576 WeakPolarHBondContact O-CG 3.31Å; L572-M576 PolarHBondContact O-N 3.2Å; N573-M576 PolarHBondContact O-N 3.37Å; M576-M578 PolarHBondContact O-N 3.22Å; M576-H580 HydrophobicContact CE-CB 4.31Å; M576-H580 VanDerWaalsContact CE-CD2 3.48Å; M576-H580 WeakPolarHBondContact CE-CD2 3.17Å; M576-H580 CarbonylContact O-C 3.53Å; M576-H580 WeakPolarHBondContact O-CA 3.34Å; M576-H580 PolarHBondContact O-N 3.3Å; M576-H580 HydrophobicContact SD-CB 4.21Å
577	S	80.8	Confident	73	Confident	51 Å²	51	82.2 Å²	82.2	36%	0.357	44%	0.438	S	S	.	.	H	α-helix	trans	-68.7	-31.5	-178.1	62.4	0	0	0	0	113.6	N573 V574	N573-S577 PolarHBondContact O-N 2.81Å; N573-S577 PolarHBondContact O-OG 2.86Å; V574-S577 PolarHBondContact O-OG 3.39Å
578	M	78.4	Confident	71.4	Confident	147 Å²	147	85.2 Å²	85.2	72%	0.724	45%	0.449	S	S	*	.	H	α-helix	trans	-88.5	-30.6	-179.9	-66	-172.9	72.7	0	0	114.9	V574 M576	V574-M578 HydrophobicContact CG1-CG 4.27Å; V574-M578 HydrophobicContact CG1-SD 3.73Å; V574-M578 VanDerWaalsContact O-CB 3.27Å; V574-M578 WeakPolarHBondContact O-CB 3.36Å; V574-M578 VanDerWaalsContact O-CG 3.28Å; V574-M578 WeakPolarHBondContact O-CG 3.34Å; V574-M578 PolarHBondContact O-N 3.3Å; M576-M578 PolarHBondContact O-N 3.22Å
579	V	78.3	Confident	69.3	Low	88 Å²	88	85.6 Å²	85.6	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-113.3	-26.4	-173.5	-171.2	0	0	0	0	112.5	H575	H575-V579 VanDerWaalsContact ND1-CG2 3.34Å; H575-V579 WeakPolarHBondContact ND1-CG2 3.44Å; H575-V579 WeakPolarHBondContact O-CA 3.25Å; H575-V579 VanDerWaalsContact O-CB 3.25Å; H575-V579 WeakPolarHBondContact O-CB 3.38Å; H575-V579 PolarHBondContact O-N 3.25Å
580	H	80.7	Confident	67.5	Low	28 Å²	28	89.6 Å²	89.6	13%	0.13	47%	0.474	C	S	.	.			trans	-123.8	44.1	180	-59.2	-89.8	0	0	0	113.6	Q561 H575 M576 L582 T583	Q561-H580 WeakPolarHBondContact CB-CE1 3.48Å; Q561-H580 WeakPolarHBondContact CB-ND1 3.42Å; Q561-H580 VanDerWaalsContact CD-ND1 3.29Å; Q561-H580 PolarHBondContact OE1-ND1 3.28Å; H575-H580 AromaticContact CE1-CD2 3.72Å; H575-H580 AromaticContact CE1-NE2 3.56Å; H575-H580 AromaticContact NE2-CD2 3.88Å; H575-H580 AromaticContact NE2-NE2 3.71Å; M576-H580 HydrophobicContact CE-CB 4.31Å; M576-H580 VanDerWaalsContact CE-CD2 3.48Å; M576-H580 WeakPolarHBondContact CE-CD2 3.17Å; M576-H580 CarbonylContact O-C 3.53Å; M576-H580 WeakPolarHBondContact O-CA 3.34Å; M576-H580 PolarHBondContact O-N 3.3Å; M576-H580 HydrophobicContact SD-CB 4.21Å; H580-L582 PolarHBondContact O-N 3.03Å; H580-T583 PolarHBondContact O-N 3.01Å; H580-T583 PolarHBondContact O-OG1 2.77Å
581	P	66.9	Low	65.3	Low	70 Å²	70	89.5 Å²	89.5	46%	0.455	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.2	-171.7	25.5	-35.8	0	0	0	115.4
582	L	64.7	Low	63.3	Low	139 Å²	139	92.6 Å²	92.6	73%	0.728	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	-175.9	-62.9	176.5	0	0	0	114.6	H580 T585 Q586	H580-L582 PolarHBondContact O-N 3.03Å; L582-T585 PolarHBondContact O-OG1 3.4Å; L582-Q586 PolarHBondContact O-NE2 3.32Å
583	T	59.8	Low	61	Low	41 Å²	41	98.7 Å²	98.7	25%	0.252	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-36.8	176.4	58.7	0	0	0	0	112	Q561 H580 T585 Q586	Q561-T583 PolarHBondContact NE2-OG1 2.99Å; H580-T583 PolarHBondContact O-N 3.01Å; H580-T583 PolarHBondContact O-OG1 2.77Å; T583-T585 PolarHBondContact O-N 3.32Å; T583-Q586 PolarHBondContact O-N 3.34Å
584	Q	57.3	Low	58.5	Low	89 Å²	89	99.6 Å²	99.6	42%	0.416	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.2	178.7	-171.5	167.1	89.9	0	0	113.7	N573	N573-Q584 PolarHBondContact OD1-NE2 3.26Å; N573-Q584 VanDerWaalsContact OD1-NE2 3.16Å
585	T	48.5	Very low	56.2	Low	93 Å²	93	105.1 Å²	105.1	57%	0.571	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-13.2	172.4	50.1	0	0	0	0	114.6	L582 T583	L582-T585 PolarHBondContact O-OG1 3.4Å; T583-T585 PolarHBondContact O-N 3.32Å
586	Q	50.7	Low	54.3	Low	140 Å²	140	109.2 Å²	109.2	65%	0.654	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-46.9	-176.1	-62.5	-178.5	48.4	0	0	111.2	L582 T583 K588 V589	L582-Q586 PolarHBondContact O-NE2 3.32Å; T583-Q586 PolarHBondContact O-N 3.34Å; Q586-K588 PolarHBondContact O-N 2.82Å; Q586-V589 PolarHBondContact O-N 3.47Å
587	D	49.5	Very low	52.4	Low	146 Å²	146	113.5 Å²	113.5	78%	0.781	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-7.6	175.8	-61.9	-82.5	0	0	0	114.8
588	K	46	Very low	50.8	Low	179 Å²	179	117.3 Å²	117.3	78%	0.778	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	6.1	-176.2	-133.1	-172.1	-177.6	-167.8	0	115.3	Q586	Q586-K588 PolarHBondContact O-N 2.82Å
589	V	36.9	Very low	48.7	Very low	118 Å²	118	113.8 Å²	113.8	72%	0.715	65%	0.653	S	S	*	*			trans	-103.8	96.8	171.1	-175.8	0	0	0	0	108.6	Q586	Q586-V589 PolarHBondContact O-N 3.47Å
590	L	44.7	Very low	47	Very low	135 Å²	135	116 Å²	116	71%	0.707	67%	0.669	S	S	*	*			trans	-65.4	151.8	177.3	-73.1	123.2	0	0	0	112.2	L592	L590-L592 HydrophobicContact CD2-CD1 4.25Å; L590-L592 HydrophobicContact CD2-CG 4.21Å
591	P	36	Very low	44.9	Very low	128 Å²	128	122.9 Å²	122.9	83%	0.831	71%	0.706	S	S	*	*			trans	-97	116.6	133.3	-11	29	0	0	0	109.8
592	L	40.8	Very low	43.1	Very low	134 Å²	134	124.9 Å²	124.9	70%	0.702	72%	0.722	S	S	*	*			trans	-108	-178.9	157.2	-98.8	168	0	0	0	108.1	L590	L590-L592 HydrophobicContact CD2-CD1 4.25Å; L590-L592 HydrophobicContact CD2-CG 4.21Å
593	E	33.1	Very low	41.5	Very low	160 Å²	160	126 Å²	126	75%	0.748	73%	0.728	S	S	*	*			trans	74.2	92.1	177.9	-47.9	-47.6	101.8	0	0	117.2
594	A	31.4	Very low	40.2	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	76%	0.758	S	S	*	*			trans	-154.5	80.2	152.9	0	0	0	0	0	109.9
595	E	34.3	Very low	39.1	Very low	173 Å²	173	128.8 Å²	128.8	81%	0.808	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.7	150.4	178.8	-82.1	-77.4	90	0	0	113.3
596	P	42.1	Very low	38.3	Very low	101 Å²	101	131 Å²	131	66%	0.656	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85.2	148.4	179.5	34.4	-34.6	0	0	0	113.4
597	P	39.7	Very low	37.5	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.2	152.6	175.5	33	-35	0	0	0	113
598	P	45.9	Very low	36.9	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.1	148.3	178.1	31.9	-35.6	0	0	0	112.7
599	G	34.9	Very low	36.2	Very low	74 Å²	74	129 Å²	129	76%	0.763	79%	0.794	S	S	*	*			trans	-102.9	179.3	177.6	0	0	0	0	0	114.7
600	P	42.5	Very low	36.2	Very low	134 Å²	134	132.7 Å²	132.7	87%	0.87	80%	0.803	S	S	*	*			trans	-109.1	168.9	169.6	34.5	-22.3	0	0	0	114
601	L	36.2	Very low	35.5	Very low	172 Å²	172	130.6 Å²	130.6	90%	0.901	81%	0.805	S	S	*	*			trans	-100	150.2	-166.6	-61.4	164	0	0	0	114.5
602	S	30.8	Very low	35.5	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	80%	0.803	S	S	*	*			trans	-171.6	126.2	143.6	-79.6	0	0	0	0	109
603	L	30.9	Very low	35.6	Very low	163 Å²	163	133.1 Å²	133.1	85%	0.853	81%	0.808	S	S	*	*				96.8	132.9	51.9	-99.2	168.8	0	0	0	114
604	S	32.8	Very low	36.7	Very low	127 Å²	127	130.6 Å²	130.6	89%	0.888	81%	0.806	S	S	*	*			trans	95.3	154.8	177	76.7	0	0	0	0	117.6
605	G	32.5	Very low	36.7	Very low	60 Å²	60	133.4 Å²	133.4	62%	0.619	80%	0.801	S	S	*	*			trans	-179.1	-176.3	-177.2	0	0	0	0	0	112.9
606	T	32.5	Very low	38.1	Very low	141 Å²	141	130.8 Å²	130.8	87%	0.865	80%	0.799	S	S	*	*			trans	67.5	137.2	-177.7	0.1	0	0	0	0	112.9
607	M	33.8	Very low	38.3	Very low	157 Å²	157	135.5 Å²	135.5	77%	0.773	83%	0.826	S	S	*	*			cis	-151.6	157.5	35.9	-72.9	179.2	144.2	0	0	114.5
608	E	36.6	Very low	38.2	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	83%	0.829	S	S	*	*			trans	35.6	136.5	141.8	-58.1	-174.2	90.3	0	0	123.9
609	G	32.5	Very low	37.8	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	83%	0.828	S	S	*	*			trans	180	121.2	164.1	0	0	0	0	0	110.1
610	Q	35.7	Very low	38	Very low	196 Å²	196	140.1 Å²	140.1	92%	0.916	83%	0.831	S	S	*	*			trans	-126.4	161.7	-161.8	-158.5	179.7	31.2	0	0	113.8
611	A	31.5	Very low	37.7	Very low	90 Å²	90	140.5 Å²	140.5	74%	0.744	83%	0.829	S	S	*	*			trans	79.7	154.1	165.5	0	0	0	0	0	118.5
612	V	35.8	Very low	37.8	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	83%	0.825	S	S	*	*				-178.4	116.5	-54.3	141.7	0	0	0	0	109.2
613	K	42	Very low	38.3	Very low	185 Å²	185	140.2 Å²	140.2	80%	0.804	83%	0.827	S	S	*	*			trans	56.3	178.9	155.6	-105	-164	161.9	-167	0	118.5
614	P	55.3	Low	38.8	Very low	108 Å²	108	138.6 Å²	138.6	70%	0.701	83%	0.825	S	S	*	*			cis	-131.4	171.4	-12.9	39.9	-23.7	0	0	0	117
615	E	32.3	Very low	39.3	Very low	162 Å²	162	139.5 Å²	139.5	76%	0.757	82%	0.82	S	S	*	*			trans	-57.5	158.6	149.2	-72.6	168.6	106.4	0	0	112.5
616	P	63.2	Low	39.8	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	84%	0.837	S	S	*	*				-138.9	177.2	75.9	42.4	-25.7	0	0	0	113
617	T	46.7	Very low	40.5	Very low	201 Å²	201	146.5 Å²	146.5	100%	1.233	83%	0.834	S	S	*	*			cis	-145	0	14.5	-34.8	0	0	0	0	110.8

Retrieved 617 of 617 residues in 74.6 ms (Link to these results)

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