A0A096MJV6_RAT Loading...

Zinc finger protein X-linked

AlphaFold DB (A0A096MJI1), UniProt , Accession A0A096MJV6, Species RAT (Rattus norvegicus, Rat), Gene Zfx, Length 749 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	33.6	Very low	35.4	Very low	218 Å²	218	149.2 Å²	149.2	100%	1.074	79%	0.785	S	S	*	*				0	64.2	0	-61.1	177	-174	0	0	106
2	D	32.4	Very low	35.5	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	78%	0.775	S	S	*	*				77.2	110.7	60.6	-43.1	-26.2	0	0	0	107.2
3	E	40.1	Very low	36.4	Very low	180 Å²	180	141 Å²	141	84%	0.841	77%	0.771	S	S	*	*				64.6	137.2	77.3	-63.5	-169.8	161.4	0	0	111.4
4	D	40.5	Very low	36	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	77%	0.774	S	S	*	*			cis	-156.1	179.3	25	-159	-16.9	0	0	0	110.8
5	G	32.3	Very low	35.7	Very low	66 Å²	66	138.7 Å²	138.7	68%	0.68	77%	0.767	S	S	*	*			trans	164.2	28.4	169	0	0	0	0	0	124.8
6	L	35.9	Very low	35.3	Very low	136 Å²	136	141.8 Å²	141.8	71%	0.712	77%	0.77	S	S	*	*			trans	45.5	119.8	149.7	-60	171.5	0	0	0	123.3
7	E	34.6	Very low	35.3	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	77%	0.771	S	S	*	*				60.8	148.6	121	-62.9	-164.2	128.5	0	0	122.9
8	L	29.7	Very low	35.2	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	77%	0.771	S	S	*	*			cis	-150.9	167.6	-0.1	-122.8	166.7	0	0	0	111
9	Q	33.1	Very low	35.2	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	76%	0.761	S	S	*	*			trans	-107.6	-170.6	-175.9	-118.4	-163.3	13.2	0	0	111.7
10	P	49.3	Very low	35.3	Very low	103 Å²	103	140.5 Å²	140.5	67%	0.669	77%	0.768	S	S	*	*			cis	-119	-160.3	13	29	-2.9	0	0	0	111.9
11	Q	27.7	Very low	35	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	77%	0.771	S	S	*	*			cis	-146.5	176.3	19.3	-66.3	178.3	-17.4	0	0	113
12	A	36.2	Very low	35	Very low	80 Å²	80	132.6 Å²	132.6	66%	0.661	77%	0.765	S	S	*	*			trans	-136.1	-151.3	164.4	0	0	0	0	0	106.7
13	P	48.4	Very low	34.8	Very low	112 Å²	112	129.9 Å²	129.9	73%	0.727	77%	0.769	S	S	*	*			cis	-131.3	-169.9	-1.7	24.1	3.4	0	0	0	112.6
14	N	29.9	Very low	34.3	Very low	153 Å²	153	125.6 Å²	125.6	82%	0.818	76%	0.764	S	S	*	*			cis	-156.1	165.4	-27.1	-102.5	-4	0	0	0	109.6
15	S	31.2	Very low	33.7	Very low	94 Å²	94	125.1 Å²	125.1	66%	0.657	77%	0.767	S	S	*	*			trans	-128.5	167.5	154.8	59.2	0	0	0	0	108.9
16	F	30.6	Very low	33.4	Very low	188 Å²	188	130.5 Å²	130.5	83%	0.825	77%	0.774	S	S	*	*			trans	158.8	163.2	152.1	-102.6	-129.2	0	0	0	111.6
17	F	34.6	Very low	33.3	Very low	177 Å²	177	131 Å²	131	78%	0.776	77%	0.774	S	S	*	*			cis	-165.6	-171.6	-44.9	-139	-96.3	0	0	0	108.8
18	D	33.1	Very low	33.1	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	78%	0.778	S	S	*	*			trans	-102.7	177.9	-169	-163.3	3.1	0	0	0	114.6
19	A	35.8	Very low	33	Very low	71 Å²	71	126.2 Å²	126.2	59%	0.587	77%	0.767	S	S	*	*			trans	119.3	112.1	140.7	0	0	0	0	0	121.8
20	T	36.3	Very low	32.8	Very low	147 Å²	147	126 Å²	126	90%	0.902	77%	0.772	S	S	*	*			trans	56.8	137.8	131.3	61.6	0	0	0	0	124.2
21	G	29.1	Very low	31.8	Very low	80 Å²	80	129.2 Å²	129.2	83%	0.825	78%	0.777	S	S	*	*			trans	173.7	151.4	157.2	0	0	0	0	0	114.3
22	A	34.8	Very low	32	Very low	114 Å²	114	128.7 Å²	128.7	94%	0.942	78%	0.779	S	S	*	*			trans	-152.2	146.2	176.1	0	0	0	0	0	112.6
23	G	26.6	Very low	31.5	Very low	79 Å²	79	130.1 Å²	130.1	81%	0.814	78%	0.779	S	S	*	*			trans	169.1	168.6	-178.8	0	0	0	0	0	111.4
24	A	30	Very low	30.8	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	78%	0.784	S	S	*	*			trans	-144.4	167.8	-169.6	0	0	0	0	0	115.2
25	T	28.1	Very low	30.6	Very low	137 Å²	137	131 Å²	131	84%	0.84	78%	0.777	S	S	*	*			trans	88.6	121.3	161.7	64.2	0	0	0	0	121.3
26	H	26.4	Very low	30.6	Very low	179 Å²	179	132.7 Å²	132.7	83%	0.829	78%	0.783	S	S	*	*			trans	85.6	154.9	148.1	-127.1	-94.9	0	0	0	122.3
27	M	34.8	Very low	30.4	Very low	147 Å²	147	131 Å²	131	72%	0.724	78%	0.778	S	S	*	*			trans	-74.8	164.5	-162	-51.9	-173.5	78.3	0	0	112.5
28	D	28.3	Very low	30.2	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	78%	0.781	S	S	*	*			cis	-163	166.9	43	-157.3	-0.4	0	0	0	114.9
29	G	28.3	Very low	29.9	Very low	53 Å²	53	130 Å²	130	55%	0.546	78%	0.78	S	S	.	*			trans	73.2	89.7	152.3	0	0	0	0	0	121
30	N	29.8	Very low	29.5	Very low	166 Å²	166	132.2 Å²	132.2	89%	0.888	79%	0.786	S	S	*	*				179.2	99.8	116.5	-93.5	-14.3	0	0	0	115.3
31	Q	28.7	Very low	28.9	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	78%	0.782	S	S	*	*			trans	15.5	114.2	136.5	-174	177.4	66.2	0	0	120.4	V33	Q31-V33 HydrophobicContact CG-CG2 4.43Å
32	I	30.5	Very low	28.8	Very low	167 Å²	167	137 Å²	137	86%	0.856	78%	0.777	S	S	*	*				-132.6	138.6	128.4	-63.1	-174.8	0	0	0	106.8
33	V	27.2	Very low	28.4	Very low	111 Å²	111	135.9 Å²	135.9	67%	0.673	76%	0.762	S	S	*	*			trans	-101.6	140.2	-179.1	177.8	0	0	0	0	110	Q31	Q31-V33 HydrophobicContact CG-CG2 4.43Å
34	V	32.5	Very low	28.5	Very low	135 Å²	135	139 Å²	139	82%	0.818	76%	0.76	S	S	*	*			trans	-111.6	126.5	163.9	178.4	0	0	0	0	107.2
35	E	26	Very low	28.3	Very low	148 Å²	148	140.4 Å²	140.4	69%	0.692	76%	0.759	S	S	*	*			trans	-89.4	139.7	-170.6	-170.8	170.4	-174.8	0	0	112.2	Q37	E35-Q37 HydrophobicContact CG-CG 4.33Å; E35-Q37 PolarHBondContact OE1-NE2 3.37Å
36	V	30.9	Very low	28.4	Very low	129 Å²	129	139.5 Å²	139.5	78%	0.782	75%	0.753	S	S	*	*			trans	-130.1	134.7	170.5	177.9	0	0	0	0	106.8
37	Q	26.7	Very low	28.5	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	75%	0.749	S	S	*	*			trans	-128.5	117.2	172.6	-66.9	-166.1	10.1	0	0	111.5	E35	E35-Q37 HydrophobicContact CG-CG 4.33Å; E35-Q37 PolarHBondContact OE1-NE2 3.37Å
38	E	29.9	Very low	28.4	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	75%	0.747	S	S	*	*			trans	-129.4	110.9	158.7	-78.1	-166.9	127.9	0	0	108.8
39	T	27.7	Very low	28.3	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	75%	0.745	S	S	*	*			trans	-159.2	125.2	164.7	44.6	0	0	0	0	106.9
40	V	26.7	Very low	28.4	Very low	117 Å²	117	139 Å²	139	71%	0.709	75%	0.753	S	S	*	*			cis	87.3	139.5	33.7	-172.3	0	0	0	0	113.1
41	Y	24.1	Very low	28.2	Very low	210 Å²	210	136.5 Å²	136.5	82%	0.824	74%	0.744	S	S	*	*			trans	84.2	147.6	-178.3	-62.8	-83.5	0	0	0	118.2
42	V	27.1	Very low	28	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.715	74%	0.737	S	S	*	*			cis	-171.4	152.4	-38.8	117.9	0	0	0	0	111.8
43	S	26.8	Very low	27.9	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	74%	0.735	S	S	*	*			trans	43	119.1	161	67.9	0	0	0	0	123.1
44	D	27.2	Very low	27.8	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	74%	0.735	S	S	*	*				163.9	117.9	111.9	-89.8	-10.4	0	0	0	111.4
45	V	27.7	Very low	27.4	Very low	118 Å²	118	138.4 Å²	138.4	72%	0.715	74%	0.736	S	S	*	*				102.8	146.8	89.7	164.2	0	0	0	0	113
46	V	29	Very low	27.7	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	74%	0.738	S	S	*	*			trans	65.7	119.3	175.9	-71	0	0	0	0	122.4
47	D	29.5	Very low	28.7	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	73%	0.732	S	S	*	*				61.7	112.5	124.7	-54.5	-7.1	0	0	0	123.7
48	S	31.1	Very low	28.8	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	74%	0.737	S	S	*	*				66.2	134.1	115.1	-50.6	0	0	0	0	123.6
49	D	28.1	Very low	28.9	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	74%	0.736	S	S	*	*			trans	81.8	139.2	134.3	-75.5	-15.9	0	0	0	124.1
50	I	28.5	Very low	29.8	Very low	140 Å²	140	133.9 Å²	133.9	72%	0.718	73%	0.734	S	S	*	*			trans	79.9	89.6	140.1	-69.4	167.3	0	0	0	120.4
51	T	25.5	Very low	30.1	Very low	114 Å²	114	135 Å²	135	70%	0.699	74%	0.736	S	S	*	*				42.8	127.5	125.9	64.3	0	0	0	0	124.7
52	V	25.5	Very low	30.6	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.655	72%	0.723	S	S	*	*				61.2	118.6	124.6	-176.3	0	0	0	0	121.2
53	H	28.3	Very low	30.9	Very low	173 Å²	173	129.1 Å²	129.1	80%	0.801	73%	0.725	S	S	*	*				167.8	130.3	126.3	-91.5	-75	0	0	0	107.5
54	N	25.2	Very low	31.3	Very low	128 Å²	128	130.5 Å²	130.5	68%	0.684	73%	0.73	S	S	*	*			cis	88.8	130.8	41.2	-80.8	1.8	0	0	0	115.6
55	Y	24.3	Very low	31.7	Very low	214 Å²	214	130.5 Å²	130.5	84%	0.839	73%	0.728	S	S	*	*			trans	75.5	133	179.3	-71.3	-87.8	0	0	0	117.3
56	V	32	Very low	32	Very low	121 Å²	121	131 Å²	131	73%	0.733	72%	0.723	S	S	*	*			cis	79.4	139.3	16.3	-171.9	0	0	0	0	114.4
57	P	52.8	Low	32.1	Very low	100 Å²	100	131.5 Å²	131.5	65%	0.649	72%	0.722	S	S	*	*			cis	-115.7	-156.9	-1.3	22.5	4.9	0	0	0	112.4
58	D	27.9	Very low	32.1	Very low	154 Å²	154	130.2 Å²	130.2	82%	0.824	72%	0.718	S	S	*	*			cis	-164.5	163.2	44.6	-88.2	-56.3	0	0	0	115.1
59	D	31.6	Very low	32.1	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	72%	0.718	S	S	*	*			trans	-89.3	-174.7	173.1	-109.6	-47.6	0	0	0	112.1
60	P	46.5	Very low	32.3	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	72%	0.716	S	S	*	*			cis	-119.1	-142.7	6.7	26.9	-0.1	0	0	0	111.9
61	D	33.3	Very low	32.4	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	72%	0.718	S	S	*	*			cis	-171.7	177.1	21.5	-173.5	55.1	0	0	0	110.1
62	S	34	Very low	32.6	Very low	81 Å²	81	132.7 Å²	132.7	57%	0.566	72%	0.719	S	S	*	*				-147.9	-145.7	-79.9	67.4	0	0	0	0	109.9
63	V	34.6	Very low	32.7	Very low	125 Å²	125	132.6 Å²	132.6	76%	0.758	72%	0.718	S	S	*	*			trans	73	96.9	175.8	-170.8	0	0	0	0	114.9
64	V	35.4	Very low	32.9	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.715	71%	0.712	S	S	*	*			cis	69.1	128.8	24.9	-167.7	0	0	0	0	111.2
65	I	35.9	Very low	33.4	Very low	145 Å²	145	131.7 Å²	131.7	74%	0.744	71%	0.713	S	S	*	*			cis	-124.5	-137	44.8	-24	178	0	0	0	111.9
66	Q	32.9	Very low	33.8	Very low	129 Å²	129	127.3 Å²	127.3	60%	0.603	70%	0.704	S	S	*	*			cis	-160	157.8	13	-176.5	49.9	47.4	0	0	111
67	D	31	Very low	33.8	Very low	129 Å²	129	126.3 Å²	126.3	69%	0.69	70%	0.698	S	S	*	*			trans	68.6	149.1	162.4	-80.5	-4.1	0	0	0	120
68	V	29.8	Very low	32.6	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.685	71%	0.705	S	S	*	*			cis	-164.5	149.3	-18.5	70.3	0	0	0	0	112.9
69	I	30.5	Very low	32.6	Very low	131 Å²	131	127.1 Å²	127.1	67%	0.672	70%	0.698	S	S	*	*			trans	61	110.2	155.1	-80.5	167.5	0	0	0	122.8
70	E	32.3	Very low	32.5	Very low	157 Å²	157	125.2 Å²	125.2	73%	0.734	69%	0.692	S	S	*	*				68.8	117	129.4	-59.5	172.7	171.3	0	0	124.2
71	D	30.6	Very low	31.8	Very low	140 Å²	140	126.3 Å²	126.3	75%	0.749	69%	0.692	S	S	*	*				112.1	124.6	115.5	-94.9	14.9	0	0	0	123.1
72	V	29.4	Very low	31.6	Very low	119 Å²	119	127.5 Å²	127.5	72%	0.721	70%	0.697	S	S	*	*			trans	72.7	144.1	138.1	162.8	0	0	0	0	120.9
73	V	28.6	Very low	31.5	Very low	105 Å²	105	131 Å²	131	64%	0.636	71%	0.706	S	S	*	*			cis	-173.7	141.3	-36.8	88.4	0	0	0	0	107.1
74	I	32.8	Very low	31.2	Very low	133 Å²	133	131 Å²	131	68%	0.682	70%	0.702	S	S	*	*			trans	64.9	149.7	148	-83.8	170.3	0	0	0	117.6
75	E	35.5	Very low	31	Very low	149 Å²	149	133.9 Å²	133.9	70%	0.696	71%	0.707	S	S	*	*			cis	-161.4	161	0.3	-112.1	167.4	-146.7	0	0	105.9
76	D	32.8	Very low	30.8	Very low	123 Å²	123	131 Å²	131	66%	0.658	71%	0.706	S	S	*	*			cis	-165.4	156.5	-19.5	-133.4	22.5	0	0	0	111.9
77	V	32.6	Very low	30.6	Very low	100 Å²	100	131.9 Å²	131.9	61%	0.606	71%	0.714	S	S	*	*				43.3	133.5	122.1	161.2	0	0	0	0	119.6
78	Q	27.2	Very low	30.5	Very low	171 Å²	171	131 Å²	131	80%	0.799	71%	0.713	S	S	*	*			cis	-158.3	149.4	3.6	-127.8	168.7	2.8	0	0	113.3
79	C	28.2	Very low	30.5	Very low	100 Å²	100	130.8 Å²	130.8	68%	0.676	72%	0.717	S	S	*	*			trans	-74.7	170.8	146.2	-56.4	0	0	0	0	108.3
80	T	28.7	Very low	30.5	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	72%	0.723	S	S	*	*				-167	145.2	59.2	48.6	0	0	0	0	108.1
81	D	30.7	Very low	30.3	Very low	135 Å²	135	130.5 Å²	130.5	72%	0.722	72%	0.721	S	S	*	*				47.2	134	92.9	-36.9	-68.8	0	0	0	115.9
82	I	29.9	Very low	30.1	Very low	163 Å²	163	130.1 Å²	130.1	84%	0.836	72%	0.723	S	S	*	*				-171.8	164.3	121.9	-93.3	155	0	0	0	109.2
83	M	31.3	Very low	30	Very low	155 Å²	155	132 Å²	132	76%	0.764	73%	0.728	S	S	*	*			trans	-105	-165.4	-160.8	-64.9	157.6	36.9	0	0	113.6
84	D	28.6	Very low	30	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	74%	0.735	S	S	*	*			trans	93.7	90.2	148.3	-53.3	-34.8	0	0	0	120.3
85	E	31.4	Very low	30.5	Very low	178 Å²	178	133.2 Å²	133.2	83%	0.832	74%	0.736	S	S	*	*				59	148.2	112.3	-74.1	-61.8	158.5	0	0	124.7
86	A	32.3	Very low	30.3	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	74%	0.738	S	S	*	*			trans	66.9	159.9	165.4	0	0	0	0	0	117.6
87	D	29	Very low	30.2	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	74%	0.741	S	S	*	*			cis	-156.8	177	4.9	-160	4.6	0	0	0	112.8
88	V	29.1	Very low	30	Very low	109 Å²	109	136.6 Å²	136.6	66%	0.661	75%	0.749	S	S	*	*			trans	72.5	125.1	156.3	-128.5	0	0	0	0	123
89	S	28.6	Very low	30.2	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	75%	0.753	S	S	*	*			trans	63.4	162.4	139.7	58.9	0	0	0	0	122.4
90	E	30.8	Very low	30.2	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	76%	0.758	S	S	*	*			cis	-169.6	164.8	-46.3	-138.7	-179.5	-169	0	0	108.7
91	T	27.6	Very low	30.4	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	77%	0.765	S	S	*	*			trans	58.9	105	159.5	57	0	0	0	0	122.2
92	V	26.2	Very low	30.3	Very low	131 Å²	131	140.2 Å²	140.2	79%	0.794	77%	0.772	S	S	*	*				34.8	123.2	120	-170.1	0	0	0	0	120.2
93	I	27.8	Very low	30.2	Very low	160 Å²	160	138 Å²	138	82%	0.821	77%	0.766	S	S	*	*				-172.5	144.5	123	-95.3	155.3	0	0	0	111.3
94	I	29.8	Very low	30	Very low	156 Å²	156	136 Å²	136	80%	0.8	76%	0.762	S	S	*	*			trans	-128.6	145.3	168.5	-34.9	166.9	0	0	0	102.8
95	P	42.8	Very low	30.1	Very low	106 Å²	106	139.2 Å²	139.2	69%	0.688	77%	0.773	S	S	*	*			cis	-161.9	-179.3	45.8	49.6	-28.2	0	0	0	120.7
96	E	31.1	Very low	30.1	Very low	158 Å²	158	138 Å²	138	74%	0.738	77%	0.768	S	S	*	*			trans	70.4	159.2	138.3	-129.4	-178.1	-124.8	0	0	124.1
97	Q	29.6	Very low	29.9	Very low	155 Å²	155	139 Å²	139	72%	0.724	76%	0.764	S	S	*	*			trans	75.5	110.6	164.8	-39.5	-156.5	-1.1	0	0	116
98	V	30.3	Very low	29.8	Very low	130 Å²	130	137.2 Å²	137.2	79%	0.788	76%	0.763	S	S	*	*				73.8	113.7	61.4	175	0	0	0	0	113.2
99	L	29.9	Very low	29.9	Very low	166 Å²	166	139 Å²	139	87%	0.869	77%	0.769	S	S	*	*			trans	-174.8	149.5	135.6	-102.9	170.9	0	0	0	111.8
100	D	28.9	Very low	30	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	77%	0.767	S	S	*	*			trans	-91.5	148.9	171.4	-48.2	-92.3	0	0	0	111.6
101	S	32	Very low	30	Very low	117 Å²	117	139 Å²	139	82%	0.818	77%	0.765	S	S	*	*			trans	177.6	107.3	137.5	59.4	0	0	0	0	114.5
102	D	28.6	Very low	29.9	Very low	163 Å²	163	138.7 Å²	138.7	87%	0.872	77%	0.765	S	S	*	*				23.7	153.2	122.3	-99.1	-24.7	0	0	0	124.8
103	V	27.9	Very low	30	Very low	116 Å²	116	138.5 Å²	138.5	70%	0.703	77%	0.765	S	S	*	*			trans	94.9	95.5	146.4	167.6	0	0	0	0	121.9
104	T	28.2	Very low	30.2	Very low	112 Å²	112	137 Å²	137	69%	0.687	76%	0.763	S	S	*	*			trans	50.9	130.9	133.7	70.9	0	0	0	0	125
105	E	30	Very low	30.8	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	76%	0.757	S	S	*	*				-138.1	160.1	112.6	-75.6	-166.7	150.1	0	0	107.1
106	E	31.8	Very low	30.2	Very low	153 Å²	153	136.3 Å²	136.3	72%	0.715	76%	0.761	S	S	*	*			cis	-179	138.8	-40.8	-112.6	-71.5	82.4	0	0	105.6
107	V	28	Very low	30.2	Very low	106 Å²	106	135.7 Å²	135.7	64%	0.642	76%	0.763	S	S	*	*			trans	58.5	103.2	162.7	-176.8	0	0	0	0	118
108	S	27	Very low	30.1	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	76%	0.76	S	S	*	*				176.4	162.1	89.2	39.4	0	0	0	0	111.8
109	L	31.1	Very low	30	Very low	147 Å²	147	135.7 Å²	135.7	77%	0.77	77%	0.766	S	S	*	*			cis	-160	164.3	-16.7	-107.2	169.4	0	0	0	110.6
110	T	31.1	Very low	30.1	Very low	119 Å²	119	132 Å²	132	73%	0.73	76%	0.76	S	S	*	*			trans	33.5	103.2	160.3	49.9	0	0	0	0	122.1
111	H	30.7	Very low	30.2	Very low	161 Å²	161	130.9 Å²	130.9	75%	0.745	76%	0.763	S	S	*	*				47	110.3	114.5	-149.3	-85.8	0	0	0	118.6
112	C	24.9	Very low	30.2	Very low	105 Å²	105	132.7 Å²	132.7	71%	0.709	76%	0.764	S	S	*	*				58.8	137.6	81.1	-55.8	0	0	0	0	114
113	T	27.8	Very low	30.3	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	76%	0.76	S	S	*	*			cis	-146.7	171.7	24.6	53.6	0	0	0	0	114.2
114	V	32.3	Very low	30.2	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	76%	0.761	S	S	*	*			trans	-60.7	170.1	155.8	-108.6	0	0	0	0	112
115	P	43.2	Very low	30.2	Very low	104 Å²	104	132.4 Å²	132.4	68%	0.675	77%	0.766	S	S	*	*			cis	-150.4	178.1	39.9	46.2	-25.4	0	0	0	120.3
116	D	29.9	Very low	30.1	Very low	142 Å²	142	127.5 Å²	127.5	76%	0.759	76%	0.759	S	S	*	*			trans	53.2	147.1	142.7	-58.6	-22.2	0	0	0	125.9
117	D	30.4	Very low	30	Very low	146 Å²	146	125.2 Å²	125.2	78%	0.781	76%	0.76	S	S	*	*			trans	87.1	120.1	137.6	-90	0.9	0	0	0	125
118	V	26.9	Very low	30	Very low	111 Å²	111	127.8 Å²	127.8	67%	0.673	77%	0.768	S	S	*	*				86.6	114.4	122.9	168.7	0	0	0	0	122.1
119	L	28.8	Very low	30.1	Very low	173 Å²	173	127.7 Å²	127.7	91%	0.906	77%	0.768	S	S	*	*			trans	73.2	157.9	149.1	-75.6	170.8	0	0	0	121.4
120	A	32	Very low	29.8	Very low	90 Å²	90	128.1 Å²	128.1	74%	0.744	77%	0.768	S	S	*	*			trans	-96.3	164	-174.4	0	0	0	0	0	112.7
121	S	31.1	Very low	30.3	Very low	124 Å²	124	128.3 Å²	128.3	87%	0.867	77%	0.77	S	S	*	*			trans	-152.8	126.1	161	-71	0	0	0	0	109.9
122	D	32.1	Very low	30.3	Very low	155 Å²	155	127.6 Å²	127.6	83%	0.829	77%	0.767	S	S	*	*			trans	-72.2	171.3	160.8	-67.9	-68.5	0	0	0	110.7
123	I	30.3	Very low	30.7	Very low	153 Å²	153	131.8 Å²	131.8	79%	0.785	78%	0.776	S	S	*	*			trans	145.6	93.3	140.9	-72.6	161.6	0	0	0	113
124	T	27	Very low	30.7	Very low	117 Å²	117	130.8 Å²	130.8	72%	0.718	77%	0.77	S	S	*	*			trans	43.7	137.2	136.4	69.2	0	0	0	0	124.8
125	S	28.5	Very low	30.6	Very low	115 Å²	115	131.8 Å²	131.8	80%	0.804	77%	0.77	S	S	*	*				87.7	115	126.3	64.9	0	0	0	0	123.3
126	A	27.7	Very low	29.8	Very low	91 Å²	91	133 Å²	133	75%	0.752	78%	0.776	S	S	*	*			trans	-163.3	100.3	140.7	0	0	0	0	0	107.3
127	S	28.9	Very low	29.9	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	78%	0.779	S	S	*	*				72.5	122.5	83.9	71.1	0	0	0	0	115.7
128	I	29.1	Very low	29.8	Very low	159 Å²	159	134.2 Å²	134.2	82%	0.815	79%	0.785	S	S	*	*			trans	176.7	138.1	135.3	-94.7	157	0	0	0	113.8
129	S	27.4	Very low	29.9	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	79%	0.79	S	S	*	*			trans	42.9	132.8	159.8	69.1	0	0	0	0	124.3
130	M	26.7	Very low	29.9	Very low	156 Å²	156	134.5 Å²	134.5	77%	0.768	79%	0.791	S	S	*	*			trans	-87.3	174.7	148	-67.3	-143.9	69	0	0	111.5
131	P	40.6	Very low	29.6	Very low	122 Å²	122	138.3 Å²	138.3	79%	0.792	79%	0.792	S	S	*	*				-135.2	171.7	93.5	21.1	-0.5	0	0	0	115.4
132	E	30.8	Very low	29.2	Very low	146 Å²	146	137.6 Å²	137.6	68%	0.682	78%	0.783	S	S	*	*			trans	-75.2	167.6	176.6	-53.4	172.2	119.7	0	0	111.5	V134	E132-V134 HydrophobicContact CB-CG2 4.37Å
133	H	32.6	Very low	28.8	Very low	193 Å²	193	134.5 Å²	134.5	89%	0.894	77%	0.773	S	S	*	*				-139.9	168.2	76.2	-84.5	-85.6	0	0	0	113.9
134	V	28.3	Very low	28.6	Very low	106 Å²	106	134 Å²	134	64%	0.642	77%	0.772	S	S	*	*			trans	-137.3	171.7	-162.5	-167.6	0	0	0	0	110.9	E132	E132-V134 HydrophobicContact CB-CG2 4.37Å
135	L	29.5	Very low	28.6	Very low	151 Å²	151	134.5 Å²	134.5	79%	0.791	78%	0.775	S	S	*	*			trans	87.5	140.8	167.7	-47.8	173.9	0	0	0	115.1
136	T	28	Very low	28.3	Very low	130 Å²	130	133 Å²	133	80%	0.798	76%	0.764	S	S	*	*			cis	-151.3	163.6	-2	-5.5	0	0	0	0	112.2
137	S	30.6	Very low	28.2	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	77%	0.768	S	S	*	*			trans	-85.3	151.3	173.1	-44.1	0	0	0	0	112.8
138	E	28	Very low	28	Very low	196 Å²	196	137.3 Å²	137.3	92%	0.916	76%	0.764	S	S	*	*			trans	-152.2	162.2	152.4	-137.9	171.2	-140.3	0	0	110.7
139	S	30.3	Very low	27.8	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	76%	0.759	S	S	*	*			trans	-152.6	131.9	-169.8	60.8	0	0	0	0	113
140	I	27.6	Very low	27.7	Very low	180 Å²	180	139.1 Å²	139.1	92%	0.923	76%	0.757	S	S	*	*			trans	-151.2	175	173.4	-105.2	147.8	0	0	0	111.8
141	H	25.8	Very low	27.6	Very low	169 Å²	169	138.2 Å²	138.2	78%	0.782	76%	0.76	S	S	*	*			trans	-105.4	154.6	-148.3	-141	27	0	0	0	114.6
142	V	24.3	Very low	26.9	Very low	110 Å²	110	138.1 Å²	138.1	67%	0.667	76%	0.757	S	S	*	*			trans	81.9	130.4	135.4	155.4	0	0	0	0	123.3
143	S	23.9	Very low	26.6	Very low	89 Å²	89	139 Å²	139	62%	0.622	76%	0.761	S	S	*	*			trans	68.2	117.2	146.3	-79.7	0	0	0	0	126.4
144	D	25.7	Very low	26.3	Very low	144 Å²	144	135.6 Å²	135.6	77%	0.77	75%	0.749	S	S	*	*				76.4	169.3	119.4	-67.8	-59.2	0	0	0	123.8
145	V	26.5	Very low	26.2	Very low	127 Å²	127	135.6 Å²	135.6	77%	0.77	75%	0.753	S	S	*	*			trans	62.5	91.9	167.6	-84.8	0	0	0	0	120.9
146	S	21.8	Very low	26.1	Very low	83 Å²	83	135 Å²	135	58%	0.58	76%	0.755	S	S	*	*				52.1	132.4	113.7	72.2	0	0	0	0	122.7
147	H	26.1	Very low	26.1	Very low	179 Å²	179	134.7 Å²	134.7	83%	0.829	75%	0.754	S	S	*	*			trans	68.1	154.6	148.1	-61.6	-43.4	0	0	0	116
148	V	25.3	Very low	26.1	Very low	108 Å²	108	137.9 Å²	137.9	66%	0.655	76%	0.755	S	S	*	*			cis	-159.3	151.7	-8.9	113.7	0	0	0	0	109.8
149	E	23.8	Very low	26.1	Very low	150 Å²	150	133.3 Å²	133.3	70%	0.701	75%	0.751	S	S	*	*			trans	67.3	140.6	155.3	-81.9	173.4	-143.4	0	0	126.1
150	H	25.6	Very low	26.1	Very low	155 Å²	155	136.6 Å²	136.6	72%	0.718	75%	0.754	S	S	*	*			trans	73.1	145.8	136.3	-72.2	129.6	0	0	0	124.8
151	V	25.2	Very low	26.1	Very low	136 Å²	136	136.1 Å²	136.1	82%	0.824	75%	0.752	S	S	*	*			trans	62.4	143.6	173.3	-127.6	0	0	0	0	113.6
152	V	25.8	Very low	26.4	Very low	121 Å²	121	133.1 Å²	133.1	73%	0.733	75%	0.745	S	S	*	*			cis	-133.8	133.9	21	-179.5	0	0	0	0	108.2
153	H	24.7	Very low	26.5	Very low	165 Å²	165	134.5 Å²	134.5	76%	0.764	75%	0.754	S	S	*	*				50.4	153	93.9	-133.1	-88.4	0	0	0	117.6
154	D	25.3	Very low	27.2	Very low	121 Å²	121	136.6 Å²	136.6	65%	0.647	76%	0.758	S	S	*	*			trans	70.7	105.1	172.4	-65.7	-25.6	0	0	0	120.7
155	S	26.5	Very low	27.7	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	75%	0.751	S	S	*	*				56.6	116.5	113.1	-52.2	0	0	0	0	120.3
156	V	28.2	Very low	28	Very low	138 Å²	138	135.5 Å²	135.5	84%	0.836	75%	0.752	S	S	*	*				-172.8	142.4	105.5	145.1	0	0	0	0	111.8
157	V	28	Very low	28.4	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	77%	0.766	S	S	*	*			trans	0.1	144	162.5	-169.5	0	0	0	0	121
158	E	29.7	Very low	28.6	Very low	184 Å²	184	133.8 Å²	133.8	86%	0.86	76%	0.76	S	S	*	*			trans	-40.6	145.2	170	-54.5	168	138.3	0	0	117.6
159	A	28.3	Very low	28.7	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	77%	0.772	S	S	*	*			trans	-154.2	141.1	144.9	0	0	0	0	0	109.7
160	E	31	Very low	29.2	Very low	179 Å²	179	135.1 Å²	135.1	84%	0.836	77%	0.773	S	S	*	*			trans	-82.9	169.1	173.3	-58.1	-167.3	120.6	0	0	112
161	I	27.4	Very low	29.5	Very low	170 Å²	170	134.1 Å²	134.1	87%	0.872	78%	0.777	S	S	*	*				-173.8	145.4	119	-95.9	158.3	0	0	0	111.8
162	V	32.3	Very low	29.6	Very low	105 Å²	105	132.1 Å²	132.1	64%	0.636	77%	0.769	S	S	*	*			trans	-77.7	155.2	-178.3	172.1	0	0	0	0	112.4
163	T	26.4	Very low	29.9	Very low	140 Å²	140	134.4 Å²	134.4	86%	0.859	77%	0.772	S	S	*	*			trans	-161.3	146.6	141.3	6.7	0	0	0	0	111.3
164	D	37	Very low	30.2	Very low	133 Å²	133	135.2 Å²	135.2	71%	0.711	78%	0.776	S	S	*	*			trans	-76.1	-175.5	-162.7	-63.5	-78.3	0	0	0	116.5
165	P	36.3	Very low	30.3	Very low	96 Å²	96	135.4 Å²	135.4	62%	0.623	78%	0.781	S	S	*	*				-139.8	133.4	97.5	36.4	-23.4	0	0	0	115.9
166	L	34.3	Very low	30.5	Very low	151 Å²	151	138.3 Å²	138.3	79%	0.791	79%	0.788	S	S	*	*			trans	-4.1	136	142.5	-55.4	167.7	0	0	0	117
167	T	29.6	Very low	30.5	Very low	141 Å²	141	137.1 Å²	137.1	87%	0.865	78%	0.78	S	S	*	*				169.2	160.9	105	34.5	0	0	0	0	114
168	A	29.9	Very low	30.5	Very low	86 Å²	86	135.3 Å²	135.3	71%	0.711	78%	0.779	S	S	*	*			trans	85.3	75.4	157.2	0	0	0	0	0	119.2
169	D	27.1	Very low	30.4	Very low	166 Å²	166	134 Å²	134	89%	0.888	78%	0.778	S	S	*	*			trans	-60.4	135.2	153	-76.5	-54.8	0	0	0	111.6
170	V	35.1	Very low	30.4	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	78%	0.776	S	S	*	*			trans	-121.8	93.3	169.6	-179.8	0	0	0	0	108.4	S172	V170-S172 PolarHBondContact O-N 2.87Å; V170-S172 PolarHBondContact O-OG 3.11Å
171	V	31.1	Very low	30.3	Very low	133 Å²	133	131.3 Å²	131.3	81%	0.806	78%	0.777	S	S	*	*			trans	-59.6	120.6	176	-178.3	0	0	0	0	109.4
172	S	28.4	Very low	30.5	Very low	95 Å²	95	128.9 Å²	128.9	66%	0.664	78%	0.776	S	S	*	*			trans	-114.7	106.2	172.9	-57.9	0	0	0	0	107.7	V170	V170-S172 PolarHBondContact O-N 2.87Å; V170-S172 PolarHBondContact O-OG 3.11Å
173	E	31.8	Very low	30.4	Very low	169 Å²	169	133.1 Å²	133.1	79%	0.79	79%	0.789	S	S	*	*			trans	-76	137.9	168.3	-72.7	-175.7	134.4	0	0	109.6	V175	E173-V175 PolarHBondContact O-N 3.23Å
174	E	30.6	Very low	30.4	Very low	181 Å²	181	131 Å²	131	85%	0.846	79%	0.786	S	S	*	*			trans	-77	122.8	-174.8	-59.8	-173.9	145.5	0	0	111
175	V	27.6	Very low	29.9	Very low	125 Å²	125	131.6 Å²	131.6	76%	0.758	79%	0.794	S	S	*	*			trans	-105.7	106.5	166.2	179	0	0	0	0	107.2	E173 V177	E173-V175 PolarHBondContact O-N 3.23Å; V175-V177 HydrophobicContact CG1-CG2 4.23Å; V175-V177 PolarHBondContact O-N 3.42Å; V175-V177 VanDerWaalsContact O-N 3.14Å
176	L	29.9	Very low	29.5	Very low	166 Å²	166	134.5 Å²	134.5	87%	0.869	80%	0.802	S	S	*	*			trans	-62	114.1	170.8	-63.6	174.7	0	0	0	109.2
177	V	28.6	Very low	29.1	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.685	81%	0.805	S	S	*	*			trans	-115	121.1	164.8	-178.9	0	0	0	0	105.6	V175	V175-V177 HydrophobicContact CG1-CG2 4.23Å; V175-V177 PolarHBondContact O-N 3.42Å; V175-V177 VanDerWaalsContact O-N 3.14Å
178	A	27.8	Very low	29.1	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	79%	0.792	S	S	*	*			trans	-80.6	125.5	170.4	0	0	0	0	0	108.4
179	D	27.1	Very low	29	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	80%	0.798	S	S	*	*			trans	-75.9	133.6	167.1	-73.1	-49.5	0	0	0	109.2
180	C	29.1	Very low	28.9	Very low	120 Å²	120	130.1 Å²	130.1	81%	0.811	79%	0.788	S	S	*	*			trans	-135.1	98.2	166.8	-58.7	0	0	0	0	106.5
181	A	29.8	Very low	28.6	Very low	104 Å²	104	131.4 Å²	131.4	86%	0.86	80%	0.796	S	S	*	*			trans	-95.9	135.1	176.1	0	0	0	0	0	109.9
182	S	31.3	Very low	29	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	79%	0.791	S	S	*	*			trans	-144.7	120.7	159.9	44.4	0	0	0	0	108.6
183	E	29.6	Very low	28.9	Very low	194 Å²	194	131.5 Å²	131.5	91%	0.907	79%	0.794	S	S	*	*			trans	-80.1	154	173.3	-60.6	-176.7	137.5	0	0	109.6
184	A	25.5	Very low	28.6	Very low	96 Å²	96	129.4 Å²	129.4	79%	0.793	79%	0.788	S	S	*	*			trans	-130.8	112.4	170.4	0	0	0	0	0	108.7
185	V	27.8	Very low	28.7	Very low	145 Å²	145	127.3 Å²	127.3	88%	0.879	78%	0.778	S	S	*	*			trans	-75.1	146.4	173.8	177.6	0	0	0	0	109.2
186	I	28.2	Very low	28.7	Very low	157 Å²	157	127.8 Å²	127.8	81%	0.805	77%	0.773	S	S	*	*			trans	-101.9	136.7	177	-41	173.1	0	0	0	108.6
187	D	26.1	Very low	28.7	Very low	158 Å²	158	125.6 Å²	125.6	85%	0.845	76%	0.762	S	S	*	*			trans	-138.7	167.5	150.9	-159.1	3.5	0	0	0	109.7
188	A	29.2	Very low	28.6	Very low	71 Å²	71	127.3 Å²	127.3	59%	0.587	76%	0.762	S	S	*	*			trans	-120.4	-178.2	-161.2	0	0	0	0	0	114.1
189	N	28	Very low	28.7	Very low	157 Å²	157	131.3 Å²	131.3	84%	0.84	77%	0.772	S	S	*	*			trans	80.9	81.7	165.9	-45.1	-53.9	0	0	0	118.1
190	G	24.1	Very low	28.8	Very low	66 Å²	66	131.9 Å²	131.9	68%	0.68	77%	0.767	S	S	*	*				98.3	111.8	101.8	0	0	0	0	0	120.1
191	V	29.1	Very low	28.8	Very low	147 Å²	147	130.8 Å²	130.8	89%	0.891	77%	0.766	S	S	*	*			trans	67.8	165.9	149.5	-104	0	0	0	0	116.7
192	P	40.2	Very low	28.6	Very low	110 Å²	110	132.3 Å²	132.3	71%	0.714	76%	0.76	S	S	*	*				-129.4	-163	-127.8	42.9	-23.6	0	0	0	113.3
193	V	26.1	Very low	28.4	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	75%	0.751	S	S	*	*			trans	164.2	141.6	134.3	153.4	0	0	0	0	110.1
194	N	24.6	Very low	28.3	Very low	124 Å²	124	129.1 Å²	129.1	66%	0.663	74%	0.741	S	S	*	*			trans	8.7	157.9	150.7	-50.8	9	0	0	0	120.2
195	Q	32.2	Very low	28.5	Very low	137 Å²	137	131.9 Å²	131.9	64%	0.64	74%	0.743	S	S	*	*			cis	-161.9	-179	8	-129	159.5	-68.2	0	0	106.8
196	Q	27.6	Very low	28.6	Very low	136 Å²	136	133.3 Å²	133.3	64%	0.636	73%	0.734	S	S	*	*			cis	-153.2	163.1	9.3	-163.8	146.3	5.5	0	0	113.3
197	D	30	Very low	28.5	Very low	119 Å²	119	133.9 Å²	133.9	64%	0.636	74%	0.737	S	S	*	*			trans	-25.5	162	138.9	-12.4	-51.1	0	0	0	115.9
198	E	28.5	Very low	28.7	Very low	149 Å²	149	132.6 Å²	132.6	70%	0.696	73%	0.728	S	S	*	*			cis	-159.5	154.5	-8.5	-138.6	-173.8	172.4	0	0	107.4
199	D	29.5	Very low	28.5	Very low	173 Å²	173	137.2 Å²	137.2	93%	0.925	74%	0.741	S	S	*	*			trans	-157.4	130.3	152.9	-132.2	-26.1	0	0	0	111
200	K	29.6	Very low	28.7	Very low	167 Å²	167	134.2 Å²	134.2	73%	0.726	73%	0.732	S	S	*	*			trans	-153.7	102.2	-158.5	-170.1	178.6	-177.3	176.3	0	115.7
201	A	28	Very low	29	Very low	96 Å²	96	137 Å²	137	79%	0.793	74%	0.74	S	S	*	*			trans	-147	119.2	157.7	0	0	0	0	0	107.1
202	N	26	Very low	28.8	Very low	136 Å²	136	133.3 Å²	133.3	73%	0.727	73%	0.731	S	S	*	*			cis	66.9	120.8	43.9	-143.1	59.7	0	0	0	111.3
203	C	27.6	Very low	28.3	Very low	99 Å²	99	133.4 Å²	133.4	67%	0.669	73%	0.73	S	S	*	*			cis	-140.5	156.3	14.7	45.4	0	0	0	0	110.1
204	E	27.8	Very low	28.3	Very low	149 Å²	149	134.7 Å²	134.7	70%	0.696	74%	0.738	S	S	*	*				54.5	143.8	83.3	-41.9	-175.7	129.6	0	0	114.1
205	D	28.3	Very low	28.3	Very low	154 Å²	154	134.2 Å²	134.2	82%	0.824	74%	0.735	S	S	*	*			cis	-104.5	162.3	9.9	-54.4	-61.1	0	0	0	113.5
206	Y	29.3	Very low	28.1	Very low	175 Å²	175	135.1 Å²	135.1	69%	0.686	74%	0.743	S	S	*	*			cis	87.1	115.9	17.3	-123.5	-88.1	0	0	0	118.5	M208	Y206-M208 HydrophobicContact CD1-CG 4.27Å; Y206-M208 HydrophobicContact CE1-CB 4.12Å; Y206-M208 HydrophobicContact CE1-CG 3.51Å
207	L	27.4	Very low	27.9	Very low	168 Å²	168	134.9 Å²	134.9	88%	0.88	75%	0.751	S	S	*	*			trans	-157.3	124.1	145.5	-119.1	178.5	0	0	0	110.4
208	M	29.9	Very low	27.9	Very low	131 Å²	131	138.3 Å²	138.3	65%	0.645	76%	0.763	S	S	*	*			trans	-116.5	153.7	178	-81.8	-87	-79.7	0	0	109.7	Y206	Y206-M208 HydrophobicContact CD1-CG 4.27Å; Y206-M208 HydrophobicContact CE1-CB 4.12Å; Y206-M208 HydrophobicContact CE1-CG 3.51Å
209	I	25.2	Very low	27.7	Very low	169 Å²	169	136.8 Å²	136.8	87%	0.867	77%	0.768	S	S	*	*			trans	-132.5	118.2	156.4	-64.4	-174.6	0	0	0	108.7
210	S	30.9	Very low	27.7	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	76%	0.763	S	S	*	*			trans	-89	-168.6	173.2	51.4	0	0	0	0	109.8
211	C	30.8	Very low	28.1	Very low	126 Å²	126	134.5 Å²	134.5	85%	0.851	77%	0.765	S	S	*	*			cis	-149.5	173.2	22.2	-103.3	0	0	0	0	109.3
212	G	25.2	Very low	28.1	Very low	68 Å²	68	138.2 Å²	138.2	70%	0.701	77%	0.766	S	S	*	*			cis	176.8	177.5	-0.1	0	0	0	0	0	111.8
213	T	29.9	Very low	28.1	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	76%	0.761	S	S	*	*			trans	-99.3	173.2	177.9	55.2	0	0	0	0	111.9	D215	T213-D215 WeakPolarHBondContact CB-OD2 3.37Å; T213-D215 PolarHBondContact OG1-OD2 3.25Å
214	V	25.3	Very low	28	Very low	148 Å²	148	140.7 Å²	140.7	90%	0.897	77%	0.767	S	S	*	*			trans	-139.4	132.2	157.7	-175.1	0	0	0	0	107.4
215	D	26.1	Very low	28	Very low	114 Å²	114	141.7 Å²	141.7	61%	0.61	77%	0.772	S	S	*	*			trans	-146.8	157.5	-162.2	-40.4	-89.1	0	0	0	107.4	T213	T213-D215 WeakPolarHBondContact CB-OD2 3.37Å; T213-D215 PolarHBondContact OG1-OD2 3.25Å
216	I	26.5	Very low	27.9	Very low	156 Å²	156	137.7 Å²	137.7	80%	0.8	77%	0.766	S	S	*	*			cis	-156.4	-170	4.8	-150.3	164.7	0	0	0	108.2
217	V	24.5	Very low	27.8	Very low	131 Å²	131	135.9 Å²	135.9	79%	0.794	77%	0.773	S	S	*	*			trans	149.7	139.7	146.1	163.6	0	0	0	0	113
218	E	29.8	Very low	27.7	Very low	190 Å²	190	135.1 Å²	135.1	89%	0.888	77%	0.765	S	S	*	*			trans	-109.2	159.8	175.4	-56	169.3	125.6	0	0	111.7
219	S	24.9	Very low	27.6	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	77%	0.769	S	S	*	*			trans	-164.8	118.8	156.3	60.5	0	0	0	0	113.4
220	E	28.7	Very low	27.8	Very low	175 Å²	175	135.6 Å²	135.6	82%	0.818	77%	0.77	S	S	*	*			trans	-79.4	162.5	156.5	-72.3	-85	129.5	0	0	109.7
221	P	37.5	Very low	27.7	Very low	118 Å²	118	138 Å²	138	77%	0.766	78%	0.776	S	S	*	*				-150.1	138.6	95	37.2	-18.9	0	0	0	117.8
222	E	27.6	Very low	28	Very low	174 Å²	174	137.2 Å²	137.2	81%	0.813	77%	0.769	S	S	*	*			trans	22.7	124.1	135.3	-58	-171.7	156.8	0	0	123.3
223	N	27	Very low	28	Very low	118 Å²	118	140.9 Å²	140.9	63%	0.631	77%	0.773	S	S	*	*				59.1	121.8	120.9	-164.2	48.7	0	0	0	122.3
224	E	25.4	Very low	27.8	Very low	168 Å²	168	142.4 Å²	142.4	79%	0.785	78%	0.777	S	S	*	*				177.8	-164	96.4	-153.9	154.5	-121.7	0	0	112.6
225	H	28.4	Very low	27.8	Very low	171 Å²	171	140.1 Å²	140.1	79%	0.792	77%	0.768	S	S	*	*			trans	-127.2	148.7	-153.1	-67.8	74.2	0	0	0	116.4
226	G	26.1	Very low	27.9	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	78%	0.781	S	S	*	*			trans	122.6	133.2	132	0	0	0	0	0	121
227	V	27.3	Very low	27.9	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	78%	0.784	S	S	*	*			trans	61.3	124	137.6	-178.5	0	0	0	0	119.3
228	E	24.6	Very low	28	Very low	153 Å²	153	147.5 Å²	147.5	72%	0.715	79%	0.788	S	S	*	*			cis	-170	179.5	-16.3	-135.2	178.8	106.7	0	0	111.6
229	L	28.2	Very low	28	Very low	137 Å²	137	144.1 Å²	144.1	72%	0.717	78%	0.782	S	S	*	*			trans	41.1	114	156.7	-67.8	168.9	0	0	0	121.5
230	L	28.9	Very low	28.1	Very low	172 Å²	172	149.9 Å²	149.9	90%	0.901	79%	0.786	S	S	*	*				-173.7	134.3	99.3	-94	172.9	0	0	0	111.8
231	D	28.2	Very low	27.9	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	79%	0.786	S	S	*	*			trans	-83.4	162.2	174.1	-109.8	-54.4	0	0	0	111.5
232	P	37.3	Very low	27.3	Very low	110 Å²	110	152.4 Å²	152.4	71%	0.714	79%	0.785	S	S	*	*			cis	-147.6	158.9	44.2	40.7	-20.1	0	0	0	120.1
233	N	27	Very low	27.2	Very low	144 Å²	144	153.2 Å²	153.2	77%	0.77	79%	0.791	S	S	*	*			trans	25.9	125.7	142.9	-67.3	-47.7	0	0	0	119.2
234	N	24.9	Very low	27	Very low	145 Å²	145	152.7 Å²	152.7	78%	0.775	79%	0.792	S	S	*	*				-179.8	155.3	54.7	-164.9	9.6	0	0	0	113.6
235	S	25.7	Very low	27	Very low	100 Å²	100	154.3 Å²	154.3	70%	0.699	79%	0.793	S	S	*	*			trans	10.1	118.7	165.4	-62.4	0	0	0	0	122.7
236	M	27.7	Very low	26.7	Very low	183 Å²	183	154.2 Å²	154.2	90%	0.901	80%	0.795	S	S	*	*			trans	-84.8	146.7	146.2	-84.4	-98.6	73.5	0	0	111.4
237	R	26.3	Very low	26.5	Very low	229 Å²	229	154.4 Å²	154.4	86%	0.864	79%	0.789	S	S	*	*			trans	-99.2	150	168	-74.5	-178.6	175.4	171.9	-1.5	110.8
238	V	27.5	Very low	26.5	Very low	143 Å²	143	155 Å²	155	87%	0.867	79%	0.793	S	S	*	*			trans	-125.3	116.3	163.1	-178.2	0	0	0	0	109.1
239	P	28.6	Very low	26.5	Very low	119 Å²	119	154.9 Å²	154.9	77%	0.773	80%	0.797	S	S	*	*			trans	-95.9	166.4	175.3	36	-32.2	0	0	0	113.2
240	R	28.5	Very low	26.4	Very low	238 Å²	238	155.7 Å²	155.7	90%	0.898	80%	0.802	S	S	*	*			trans	-98.2	145.9	174.9	-70.9	162.4	143.9	155.6	-10.4	111.6
241	E	24.2	Very low	26.2	Very low	173 Å²	173	153.4 Å²	153.4	81%	0.808	80%	0.795	S	S	*	*			trans	-144.1	160.6	143.9	-75.1	-160	137.2	0	0	108.2
242	K	25	Very low	26.3	Very low	174 Å²	174	153.9 Å²	153.9	76%	0.757	79%	0.793	S	S	*	*			cis	172	141.5	-35	-106.9	175.6	-176.1	171.8	0	103.4
243	M	24.9	Very low	25.9	Very low	190 Å²	190	155.1 Å²	155.1	94%	0.936	79%	0.789	S	S	*	*			trans	-95.1	141.9	170.8	-70.9	-176.7	176.8	0	0	110.6
244	V	23.7	Very low	25.9	Very low	108 Å²	108	154.9 Å²	154.9	66%	0.655	78%	0.784	S	S	*	*			trans	-163.8	157.2	166.2	-99.5	0	0	0	0	107.6
245	Y	23.5	Very low	26.2	Very low	202 Å²	202	156.2 Å²	156.2	79%	0.792	79%	0.785	S	S	*	*			cis	-156.7	169.9	9	-122.4	-40.7	0	0	0	111.2
246	M	22.7	Very low	26.4	Very low	169 Å²	169	160.5 Å²	160.5	83%	0.833	79%	0.794	S	S	*	*			trans	69.1	154.9	151.4	-69.2	164.6	71.8	0	0	120
247	A	22.9	Very low	26.5	Very low	72 Å²	72	159.3 Å²	159.3	60%	0.595	79%	0.786	S	S	*	*			cis	-172.3	155.3	-26.5	0	0	0	0	0	110.2
248	V	26.1	Very low	26.8	Very low	151 Å²	151	155.1 Å²	155.1	92%	0.915	78%	0.78	S	S	*	*			trans	-148.7	152	145.5	-132.2	0	0	0	0	109.3
249	N	24.9	Very low	26.7	Very low	149 Å²	149	154.8 Å²	154.8	80%	0.797	77%	0.774	S	S	*	*			trans	-99.3	168.7	-169.5	-62	-1	0	0	0	113.7
250	D	25.3	Very low	26.8	Very low	154 Å²	154	154.8 Å²	154.8	82%	0.824	77%	0.771	S	S	*	*			trans	-71.4	156.5	178.4	-41.2	-92.5	0	0	0	115.1
251	T	26.3	Very low	26.7	Very low	124 Å²	124	147.7 Å²	147.7	76%	0.761	76%	0.763	S	S	*	*			trans	-149.9	106.7	144.1	49.8	0	0	0	0	112.5
252	Q	29.6	Very low	27.1	Very low	154 Å²	154	148.3 Å²	148.3	72%	0.72	77%	0.766	S	S	*	*			trans	64.2	133.8	130.9	-64.5	179.4	-66.5	0	0	123.7
253	Q	28.9	Very low	27.4	Very low	136 Å²	136	147 Å²	147	64%	0.636	77%	0.766	S	S	*	*			trans	66.5	150.7	142.6	-65	167.4	-80.3	0	0	118.2
254	E	27.8	Very low	27.7	Very low	140 Å²	140	142.6 Å²	142.6	65%	0.654	76%	0.76	S	S	*	*			cis	-155	135.7	-9.8	-114.7	150.4	-165.5	0	0	106.5
255	E	30.5	Very low	27.9	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	77%	0.766	S	S	*	*				65.9	149.7	107.5	-66	-160.3	157.8	0	0	118.3
256	E	30	Very low	28.4	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	77%	0.767	S	S	*	*			trans	62.9	159.7	175.8	-60.9	-173.6	176.5	0	0	119.5
257	E	30.2	Very low	28.6	Very low	157 Å²	157	141.1 Å²	141.1	73%	0.734	76%	0.764	S	S	*	*				-158.5	161.3	-59.3	-142	-170.6	-144.9	0	0	109.3
258	L	31.7	Very low	28.8	Very low	141 Å²	141	147.7 Å²	147.7	74%	0.738	78%	0.775	S	S	*	*			trans	65.7	150.7	160.4	-59.4	167.4	0	0	0	119.4
259	N	26.1	Very low	28.9	Very low	137 Å²	137	148.5 Å²	148.5	73%	0.733	77%	0.771	S	S	*	*			cis	-167.8	170.8	-27.6	-161	-7.9	0	0	0	110.1
260	V	29.9	Very low	29.1	Very low	119 Å²	119	149.4 Å²	149.4	72%	0.721	77%	0.77	S	S	*	*			trans	82.9	107.1	159.7	-170.2	0	0	0	0	120
261	A	27.6	Very low	29.1	Very low	88 Å²	88	148.6 Å²	148.6	73%	0.727	77%	0.771	S	S	*	*			trans	63.7	157.8	144.7	0	0	0	0	0	120
262	E	30.8	Very low	29.4	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	77%	0.769	S	S	*	*			cis	-140.9	177.9	6.4	-153.1	156.5	-137.6	0	0	112.4
263	I	31.3	Very low	29.3	Very low	147 Å²	147	148.7 Å²	148.7	75%	0.754	78%	0.775	S	S	*	*			trans	-84.7	136.3	-161.4	-61.6	157.7	0	0	0	113.5
264	A	31	Very low	29.3	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	78%	0.777	S	S	*	*			trans	-147.8	110.9	158	0	0	0	0	0	110.4
265	D	29.4	Very low	29.4	Very low	146 Å²	146	148 Å²	148	78%	0.781	79%	0.789	S	S	*	*			trans	-81.6	115.8	179.4	-69.1	-52.3	0	0	0	112
266	E	33.2	Very low	29.5	Very low	175 Å²	175	148.8 Å²	148.8	82%	0.818	79%	0.793	S	S	*	*			trans	-112.1	105.3	158.2	-75.1	-158.2	166.5	0	0	110.5	Y268	E266-Y268 PolarHBondContact O-N 3.12Å
267	V	26.9	Very low	29.7	Very low	128 Å²	128	147.8 Å²	147.8	78%	0.776	79%	0.794	S	S	*	*			trans	-81	107.8	179.4	179.4	0	0	0	0	110.5
268	Y	27.4	Very low	29.7	Very low	210 Å²	210	145.2 Å²	145.2	82%	0.824	80%	0.8	S	S	*	*			trans	-105	125.2	161.6	-98.9	-89.4	0	0	0	110.6	E266	E266-Y268 PolarHBondContact O-N 3.12Å
269	M	28.9	Very low	29.5	Very low	168 Å²	168	143.1 Å²	143.1	83%	0.828	80%	0.803	S	S	*	*			trans	-85	131.8	174.7	-71.8	177.5	-75.9	0	0	110.9
270	E	29	Very low	29.6	Very low	168 Å²	168	141.5 Å²	141.5	79%	0.785	81%	0.808	S	S	*	*			trans	-68.3	158.3	163.6	-61.2	-176.5	118.3	0	0	111.5
271	V	25.4	Very low	29.5	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	81%	0.81	S	S	*	*			trans	-131.5	104.1	162	178.9	0	0	0	0	108.6
272	I	31.1	Very low	29.4	Very low	141 Å²	141	141 Å²	141	72%	0.723	82%	0.816	S	S	*	*			trans	-83.7	134.9	173.9	-56.8	166.3	0	0	0	109.3
273	V	28.3	Very low	29.2	Very low	139 Å²	139	136.8 Å²	136.8	84%	0.842	81%	0.813	S	S	*	*			trans	-141.6	131.9	146.1	-173.6	0	0	0	0	107.4
274	G	28.8	Very low	29	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	82%	0.815	S	S	*	*			trans	-93.3	-176.9	-177	0	0	0	0	0	115.2
275	E	29.6	Very low	28.9	Very low	193 Å²	193	134.4 Å²	134.4	90%	0.902	82%	0.816	S	S	*	*			trans	-89.9	161.8	175.1	-56.9	170.3	108.1	0	0	111.9
276	E	33.6	Very low	28.9	Very low	191 Å²	191	133.5 Å²	133.5	89%	0.893	82%	0.815	S	S	*	*			trans	-140.4	103.9	151.9	-72.8	-167.6	173.3	0	0	111.4
277	D	32.4	Very low	28.7	Very low	168 Å²	168	132.8 Å²	132.8	90%	0.898	81%	0.812	S	S	*	*			trans	62.2	160.3	141.6	-68.2	-15.7	0	0	0	125.6
278	A	31	Very low	28.8	Very low	104 Å²	104	133.4 Å²	133.4	86%	0.86	81%	0.806	S	S	*	*			trans	-157.3	165.5	-168.6	0	0	0	0	0	113.2
279	A	26.8	Very low	28.9	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	80%	0.797	S	S	*	*			trans	-159.1	134.1	166.7	0	0	0	0	0	115
280	A	28.3	Very low	28.7	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	79%	0.792	S	S	*	*				56.1	150.9	127	0	0	0	0	0	123.5
281	A	27.5	Very low	28.6	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	79%	0.79	S	S	*	*			cis	-170.6	160.6	-19.3	0	0	0	0	0	113
282	A	26.1	Very low	28.8	Very low	105 Å²	105	129.6 Å²	129.6	87%	0.868	79%	0.793	S	S	*	*			trans	62.1	162.4	157.8	0	0	0	0	0	119
283	A	27.1	Very low	28.7	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	80%	0.798	S	S	*	*			cis	-157.8	172.9	-5.2	0	0	0	0	0	106.9
284	A	27.5	Very low	28.6	Very low	95 Å²	95	129.2 Å²	129.2	79%	0.785	79%	0.788	S	S	*	*			cis	174.7	-178.2	-9.7	0	0	0	0	0	107.3
285	A	27.5	Very low	28.7	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	79%	0.786	S	S	*	*			trans	82	149.7	169.8	0	0	0	0	0	119.6
286	V	31.3	Very low	28.6	Very low	127 Å²	127	129.9 Å²	129.9	77%	0.77	77%	0.774	S	S	*	*			cis	-171.5	150.6	-34	116.8	0	0	0	0	112.3
287	H	28.1	Very low	28.3	Very low	160 Å²	160	129.4 Å²	129.4	74%	0.741	77%	0.769	S	S	*	*			trans	55.8	176	168.1	-79.4	-31.2	0	0	0	119.7
288	E	29	Very low	28	Very low	140 Å²	140	127.4 Å²	127.4	65%	0.654	76%	0.764	S	S	*	*				-169.6	-176.8	-57.2	-137.7	167	98.2	0	0	107.7
289	Q	28.5	Very low	27.6	Very low	135 Å²	135	132.3 Å²	132.3	63%	0.631	77%	0.766	S	S	*	*			cis	-163.8	178.8	5.6	-159.5	-178.5	76.7	0	0	109.9
290	Q	25.8	Very low	27.7	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	76%	0.762	S	S	*	*			trans	76.8	143.2	162	-60.6	166	23.2	0	0	117.8
291	V	27.7	Very low	28.1	Very low	124 Å²	124	135.7 Å²	135.7	75%	0.752	76%	0.76	S	S	*	*			cis	92	132.4	17.5	179.5	0	0	0	0	113.5
292	E	28.5	Very low	28.2	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	76%	0.756	S	S	*	*			cis	-132	-132.8	12.1	-154.9	143.7	-108.6	0	0	115.3
293	D	30.5	Very low	28.4	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	75%	0.75	S	S	*	*			trans	-141.6	-132.8	-162.3	-169.1	-101.5	0	0	0	114.2
294	N	25.9	Very low	28.3	Very low	115 Å²	115	144.6 Å²	144.6	62%	0.615	76%	0.758	S	S	*	*			trans	80.5	143.2	179.2	-104.9	14.7	0	0	0	118.3
295	E	29.9	Very low	28.6	Very low	142 Å²	142	144.3 Å²	144.3	66%	0.664	76%	0.756	S	S	*	*			cis	-157.4	132.1	2.2	-153.5	161.2	-138.3	0	0	116.3
296	M	28	Very low	28.7	Very low	132 Å²	132	144.5 Å²	144.5	65%	0.65	76%	0.757	S	S	*	*			trans	37.5	120	146.1	-54.3	-170.7	-143.6	0	0	127.9
297	K	27.9	Very low	28.6	Very low	181 Å²	181	142.7 Å²	142.7	79%	0.787	76%	0.755	S	S	*	*				54.7	137.6	125	-59.9	170.2	-177.3	162.9	0	123.9
298	T	24.3	Very low	28.5	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	77%	0.765	S	S	*	*				166.2	123.7	110.9	-71.2	0	0	0	0	116.9
299	F	23.5	Very low	28.3	Very low	207 Å²	207	143.1 Å²	143.1	91%	0.908	77%	0.768	S	S	*	*			trans	43.6	164	152	-87.2	-98.3	0	0	0	126.3
300	M	29.5	Very low	28.5	Very low	148 Å²	148	144 Å²	144	73%	0.729	78%	0.777	S	S	*	*			trans	-97.6	155.4	-173.9	-67.8	172.1	67.4	0	0	115.7	I302	M300-I302 HydrophobicContact CB-CD1 4.42Å; M300-I302 HydrophobicContact CE-CD1 4.09Å; M300-I302 HydrophobicContact CE-CG1 3.92Å
301	P	36.8	Very low	28.5	Very low	122 Å²	122	143 Å²	143	79%	0.792	78%	0.777	S	S	*	*				-138.3	168.5	114.7	25.8	-6.7	0	0	0	113.2
302	I	28.8	Very low	28.5	Very low	133 Å²	133	141.3 Å²	141.3	68%	0.682	77%	0.771	S	S	*	*			cis	113.2	110.2	-0.1	-62	167	0	0	0	116.4	M300	M300-I302 HydrophobicContact CB-CD1 4.42Å; M300-I302 HydrophobicContact CE-CD1 4.09Å; M300-I302 HydrophobicContact CE-CG1 3.92Å
303	A	30.3	Very low	28.3	Very low	88 Å²	88	139.9 Å²	139.9	73%	0.727	77%	0.769	S	S	*	*			trans	64.3	165.3	164	0	0	0	0	0	118.3
304	W	26	Very low	28	Very low	260 Å²	260	135.4 Å²	135.4	99%	0.985	76%	0.76	S	S	*	*			cis	-144.5	-145.6	-3.1	-144.5	1.1	0	0	0	113.2
305	A	32	Very low	28.2	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	78%	0.775	S	S	*	*			trans	-133.6	-166	-161.1	0	0	0	0	0	117.1
306	A	31	Very low	28.1	Very low	103 Å²	103	137.8 Å²	137.8	85%	0.851	77%	0.772	S	S	*	*			trans	94.1	159.2	-178.4	0	0	0	0	0	115.5
307	A	28.1	Very low	28.1	Very low	88 Å²	88	138.4 Å²	138.4	73%	0.727	78%	0.777	S	S	*	*			cis	-152	-165.3	15.6	0	0	0	0	0	115.2
308	Y	27.2	Very low	28.2	Very low	240 Å²	240	138.1 Å²	138.1	94%	0.941	77%	0.771	S	S	*	*			trans	-53.5	169.2	177.4	-53.5	-99.4	0	0	0	116
309	G	24.2	Very low	28.5	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	77%	0.772	S	S	*	*			cis	151.1	140.3	-10.6	0	0	0	0	0	116.2
310	N	32.1	Very low	28.7	Very low	153 Å²	153	132.5 Å²	132.5	82%	0.818	76%	0.762	S	S	*	*			trans	84.5	151.4	159.7	-154.6	39.7	0	0	0	122
311	N	26.8	Very low	28.7	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	77%	0.767	S	S	*	*			trans	62	149.5	178.9	-69.4	6.1	0	0	0	117.9
312	S	26.2	Very low	28.3	Very low	88 Å²	88	130.4 Å²	130.4	62%	0.615	77%	0.765	S	S	*	*			cis	-172.8	169	-26.9	68	0	0	0	0	107.2
313	D	26	Very low	28.2	Very low	158 Å²	158	129.7 Å²	129.7	85%	0.845	77%	0.772	S	S	*	*			cis	-126.1	-141.4	-3.1	-74.1	-80.5	0	0	0	108.3
314	G	24.1	Very low	28.1	Very low	64 Å²	64	130 Å²	130	66%	0.66	77%	0.774	S	S	*	*			cis	174.6	173.6	-1.4	0	0	0	0	0	114.4
315	I	29.3	Very low	28.2	Very low	180 Å²	180	124.4 Å²	124.4	92%	0.923	76%	0.763	S	S	*	*			trans	69.5	136.5	169.7	-57.7	-179.9	0	0	0	117.7
316	E	28.1	Very low	28	Very low	127 Å²	127	128.7 Å²	128.7	59%	0.593	77%	0.772	S	S	*	*			trans	-104.4	159.8	-174.1	-47.5	179.2	114.7	0	0	113.4	R318	E316-R318 IonicContact OE1-NH1 3.43Å; E316-R318 IonicContact OE2-CZ 2.59Å; E316-R318 IonicContact OE2-NH1 3.38Å; E316-R318 PolarHBondContact OE2-NH1 3.17Å
317	N	27.1	Very low	27.7	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	77%	0.765	S	S	*	*				-172.5	134.1	119.4	-94.9	-34.5	0	0	0	109
318	R	31.6	Very low	27.7	Very low	175 Å²	175	133.8 Å²	133.8	66%	0.66	77%	0.766	S	S	*	*				61.5	123.4	54	-72.3	179.8	159.3	146.4	-7.4	111.7	E316	E316-R318 IonicContact OE1-NH1 3.43Å; E316-R318 IonicContact OE2-CZ 2.59Å; E316-R318 IonicContact OE2-NH1 3.38Å; E316-R318 PolarHBondContact OE2-NH1 3.17Å
319	N	30.7	Very low	27.8	Very low	148 Å²	148	129.6 Å²	129.6	79%	0.791	76%	0.76	S	S	*	*			cis	-142.5	171.7	7.8	-69.2	-56.2	0	0	0	110.3
320	G	27	Very low	28.1	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	77%	0.768	S	S	*	*			cis	127.3	29.1	-6.5	0	0	0	0	0	118.1
321	T	28.8	Very low	28.1	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	77%	0.769	S	S	*	*			trans	-152.7	135.6	164.4	34.2	0	0	0	0	109.6
322	A	28.1	Very low	28.4	Very low	91 Å²	91	132.5 Å²	132.5	75%	0.752	78%	0.777	S	S	*	*			cis	87.2	85.3	9.3	0	0	0	0	0	117.6
323	S	27.1	Very low	28.5	Very low	118 Å²	118	132 Å²	132	83%	0.825	79%	0.787	S	S	*	*			trans	-168.7	130.2	140.3	-76.9	0	0	0	0	107.2
324	A	28.3	Very low	28.8	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	79%	0.793	S	S	*	*			cis	74	88.5	19.4	0	0	0	0	0	115.4
325	L	27.5	Very low	29	Very low	144 Å²	144	134.1 Å²	134.1	75%	0.754	80%	0.8	S	S	*	*			trans	-154.4	121	138.2	-144.4	77.4	0	0	0	111.9
326	L	28	Very low	29.2	Very low	179 Å²	179	137 Å²	137	94%	0.937	80%	0.799	S	S	*	*			trans	-144.6	116.9	148.3	-81.5	-177.5	0	0	0	105.7
327	H	26.3	Very low	29.3	Very low	154 Å²	154	139.1 Å²	139.1	71%	0.713	81%	0.814	S	S	*	*			trans	-90.4	-179.9	174.1	-100.5	-97.5	0	0	0	111
328	I	27.7	Very low	29.6	Very low	144 Å²	144	136.1 Å²	136.1	74%	0.738	81%	0.809	S	S	*	*			trans	81.6	115.5	169.3	-49.5	-178	0	0	0	111.8
329	D	28.8	Very low	29.7	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	82%	0.818	S	S	*	*			cis	-144.2	161.5	7	-108.6	-27.7	0	0	0	112.5
330	E	29.6	Very low	29.8	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	82%	0.824	S	S	*	*			trans	-141	133.5	162.5	-174.2	171.5	-137.5	0	0	109.8
331	S	33.3	Very low	30.1	Very low	119 Å²	119	145.6 Å²	145.6	83%	0.832	83%	0.831	S	S	*	*			trans	-119.1	147.7	179	55.4	0	0	0	0	111.6
332	A	32.9	Very low	30.3	Very low	108 Å²	108	145.3 Å²	145.3	89%	0.893	83%	0.832	S	S	*	*			trans	-93.5	155.6	-147.8	0	0	0	0	0	116.7
333	G	28.4	Very low	30.8	Very low	79 Å²	79	150.5 Å²	150.5	81%	0.814	84%	0.837	S	S	*	*			trans	-153.4	129.4	165.5	0	0	0	0	0	111.3
334	L	32.3	Very low	31.3	Very low	187 Å²	187	155.2 Å²	155.2	98%	0.979	84%	0.843	S	S	*	*			trans	-102.2	144	-172.1	-71.3	167.6	0	0	0	113
335	G	28	Very low	31.5	Very low	78 Å²	78	162.5 Å²	162.5	80%	0.804	85%	0.851	S	S	*	*			trans	161	127.7	166.6	0	0	0	0	0	113.1
336	R	33.9	Very low	31.7	Very low	241 Å²	241	167.4 Å²	167.4	91%	0.909	86%	0.859	S	S	*	*			trans	-123.7	139.8	179.9	-48.2	-179.3	-160.7	-126	4.1	110.7
337	L	30.8	Very low	31.7	Very low	172 Å²	172	170.1 Å²	170.1	90%	0.901	86%	0.857	S	S	*	*				-173.7	136.6	122.2	-102.3	161.7	0	0	0	114.8
338	A	31.7	Very low	32	Very low	80 Å²	80	168.7 Å²	168.7	66%	0.661	86%	0.861	S	S	*	*			trans	36.5	107.2	152.3	0	0	0	0	0	122.8
339	K	34.1	Very low	32	Very low	198 Å²	198	169.3 Å²	169.3	86%	0.861	87%	0.866	S	S	*	*			trans	45	115.8	131.1	-62.9	176	177.8	174.4	0	119.8
340	Q	32.2	Very low	32.2	Very low	196 Å²	196	167 Å²	167	92%	0.916	86%	0.862	S	S	*	*				-166.9	170.4	107	-104.7	177.5	73	0	0	113.2
341	K	34.8	Very low	32.7	Very low	197 Å²	197	168.8 Å²	168.8	86%	0.857	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-74.5	130.7	-167.1	-60.9	174.7	-179.1	175.6	0	112.8
342	P	33.4	Very low	33	Very low	129 Å²	129	172 Å²	172	84%	0.838	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-74.2	139	172.4	30	-33.7	0	0	0	112.2
343	K	36.5	Very low	33.5	Very low	200 Å²	200	173.5 Å²	173.5	87%	0.87	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-75.8	157.7	173.3	-67.3	176	179.9	174.7	0	111.2	R345	K343-R345 PolarHBondContact O-N 3.06Å
344	K	39.1	Very low	34.4	Very low	218 Å²	218	178 Å²	178	95%	0.948	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-49	127.6	177.1	-61	174.3	179.8	176.8	0	111.7
345	R	32.1	Very low	35	Very low	246 Å²	246	172.7 Å²	172.7	93%	0.928	82%	0.821	S	S	*	*			trans	-111.1	152.8	157.4	-64.9	-168.3	84	-177.4	4.5	109.6	K343	K343-R345 PolarHBondContact O-N 3.06Å
346	R	32.7	Very low	36.3	Very low	247 Å²	247	171 Å²	171	93%	0.932	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.7	146.9	-166.8	-65.1	177.7	173.5	175.6	-4.5	112.3
347	R	27.5	Very low	37.4	Very low	235 Å²	235	164.6 Å²	164.6	89%	0.887	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72.8	148.7	158.5	-73.3	-177.6	172.8	177.6	-2.2	109
348	P	32	Very low	38.6	Very low	125 Å²	125	159.7 Å²	159.7	81%	0.812	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.3	149.5	157.7	-13.1	29	0	0	0	110.1
349	D	27.6	Very low	39.3	Very low	156 Å²	156	161.5 Å²	161.5	83%	0.834	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.8	143.5	-175.4	-82.3	-70.2	0	0	0	114.6	R351	D349-R351 PolarHBondContact O-N 3.23Å; D349-R351 VanDerWaalsContact O-N 3.11Å
350	S	32.6	Very low	39.9	Very low	104 Å²	104	153.4 Å²	153.4	73%	0.727	73%	0.726	S	S	*	*			trans	-69.9	102.9	164.3	51.3	0	0	0	0	108.9	Q352	S350-Q352 PolarHBondContact O-N 3.33Å
351	R	41	Very low	40.7	Very low	229 Å²	229	150.4 Å²	150.4	86%	0.864	72%	0.724	S	S	*	*			trans	-50.8	106.1	171.2	-80	-173.9	172.2	-176.3	-3.7	109.6	D349 Y353	D349-R351 PolarHBondContact O-N 3.23Å; D349-R351 VanDerWaalsContact O-N 3.11Å; R351-Y353 PolarHBondContact O-N 3.07Å
352	Q	39	Very low	41.5	Very low	188 Å²	188	147.4 Å²	147.4	88%	0.879	72%	0.717	S	S	*	*			trans	-76.4	118.7	-173.6	-156.8	167.7	6	0	0	108.1	S350 Q354	S350-Q352 PolarHBondContact O-N 3.33Å; Q352-Q354 PolarHBondContact O-N 3.4Å
353	Y	43.6	Very low	42.2	Very low	138 Å²	138	143.7 Å²	143.7	54%	0.541	70%	0.702	S	S	.	*			trans	-77.3	107.3	178.7	-62.6	-89.4	0	0	0	108.1	R351 T355	R351-Y353 PolarHBondContact O-N 3.07Å; Y353-T355 PolarHBondContact O-N 3.07Å; Y353-T355 VanDerWaalsContact O-N 3.07Å
354	Q	46.3	Very low	42.6	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.813	69%	0.692	S	S	*	*			trans	-67.5	108.6	-178.4	-163.3	165.6	4.7	0	0	110	Q352	Q352-Q354 PolarHBondContact O-N 3.4Å
355	T	46.5	Very low	42.9	Very low	76 Å²	76	134.5 Å²	134.5	47%	0.466	67%	0.673	S	S	.	*			trans	-84.6	115.3	-179.3	46	0	0	0	0	110.1	Y353 Y369	Y353-T355 PolarHBondContact O-N 3.07Å; Y353-T355 VanDerWaalsContact O-N 3.07Å; T355-Y369 HydrophobicContact CG2-CE1 4.08Å
356	A	54.8	Low	44.1	Very low	41 Å²	41	126.5 Å²	126.5	34%	0.339	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	116.3	169.6	0	0	0	0	0	108.9	V368	A356-V368 PolarHBondContact N-O 2.83Å; A356-V368 PolarHBondContact O-N 3.23Å
357	I	56.2	Low	45.5	Very low	107 Å²	107	118 Å²	118	55%	0.549	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	123	164.8	-59.2	174	0	0	0	106.3	I359 P365 T367	I357-I359 HydrophobicContact CG2-CG1 4.47Å; I357-P365 HydrophobicContact CG2-CB 3.63Å; I357-T367 HydrophobicContact CG1-CG2 4.38Å
358	I	57.1	Low	47.4	Very low	70 Å²	70	107.6 Å²	107.6	36%	0.359	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	114.7	172.5	-53.7	-176.9	0	0	0	106.5	L366 V368 K377	I358-L366 PolarHBondContact N-O 2.89Å; I358-L366 PolarHBondContact O-N 3.17Å; I358-V368 HydrophobicContact CB-CG2 4.28Å; I358-V368 HydrophobicContact CD1-CB 4.29Å; I358-V368 HydrophobicContact CD1-CG1 4.49Å; I358-V368 HydrophobicContact CD1-CG2 4.06Å; I358-V368 HydrophobicContact CG1-CB 4.44Å; I358-V368 HydrophobicContact CG1-CG2 4.12Å; I358-K377 HydrophobicContact CD1-CD 4.27Å
359	I	47	Very low	49.4	Very low	118 Å²	118	104.1 Å²	104.1	61%	0.605	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.1	124.4	174.6	-59.1	172.9	0	0	0	106.9	I357	I357-I359 HydrophobicContact CG2-CG1 4.47Å
360	G	46.2	Very low	51.4	Low	28 Å²	28	98.8 Å²	98.8	29%	0.289	53%	0.531	S	S	.	.			trans	-80.4	172.2	171.9	0	0	0	0	0	111.8	D362 G363	G360-D362 PolarHBondContact O-N 3.06Å; G360-D362 VanDerWaalsContact O-N 3.13Å; G360-G363 PolarHBondContact O-N 2.86Å; G360-G363 VanDerWaalsContact O-N 3.14Å
361	P	48.1	Very low	53.5	Low	133 Å²	133	93.9 Å²	93.9	86%	0.864	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	175.8	25.8	-34.3	0	0	0	112.4	G363	P361-G363 PolarHBondContact O-N 2.93Å; P361-G363 VanDerWaalsContact O-N 3.16Å
362	D	52.4	Low	54.6	Low	133 Å²	133	91.3 Å²	91.3	71%	0.711	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	17.6	-179.8	-34.8	-71.5	0	0	0	113.7	G360 H364	G360-D362 PolarHBondContact O-N 3.06Å; G360-D362 VanDerWaalsContact O-N 3.13Å; D362-H364 PolarHBondContact O-N 3.12Å; D362-H364 PolarHBondContact O-ND1 3.09Å
363	G	48.3	Very low	55.8	Low	52 Å²	52	85.8 Å²	85.8	54%	0.536	47%	0.473	S	S	.	.	S	Bend	trans	70	-13.4	174.2	0	0	0	0	0	117	G360 P361	G360-G363 PolarHBondContact O-N 2.86Å; G360-G363 VanDerWaalsContact O-N 3.14Å; P361-G363 PolarHBondContact O-N 2.93Å; P361-G363 VanDerWaalsContact O-N 3.16Å
364	H	43.8	Very low	57.1	Low	139 Å²	139	81.4 Å²	81.4	64%	0.644	46%	0.462	S	S	*	.			trans	-82.5	130.3	-174.5	-73.2	72.6	0	0	0	112.5	D362 L366	D362-H364 PolarHBondContact O-N 3.12Å; D362-H364 PolarHBondContact O-ND1 3.09Å; H364-L366 PolarHBondContact O-N 3.41Å
365	P	46.9	Very low	58.2	Low	85 Å²	85	75.7 Å²	75.7	55%	0.552	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	100.6	-176.5	30.4	-34.4	0	0	0	112.3	I357 T367	I357-P365 HydrophobicContact CG2-CB 3.63Å; P365-T367 PolarHBondContact O-N 3.22Å
366	L	57	Low	59.4	Low	78 Å²	78	78.2 Å²	78.2	41%	0.408	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.4	171.6	-86.4	79.9	0	0	0	110.6	I358 H364 V368 K379	I358-L366 PolarHBondContact N-O 2.89Å; I358-L366 PolarHBondContact O-N 3.17Å; H364-L366 PolarHBondContact O-N 3.41Å; L366-V368 HydrophobicContact CB-CG2 4.44Å; L366-V368 PolarHBondContact O-N 3.3Å; L366-K379 HydrophobicContact CD2-CD 4.4Å
367	T	61	Low	60.3	Low	69 Å²	69	83.1 Å²	83.1	42%	0.423	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	110.1	168.1	55.8	0	0	0	0	109.9	I357 P365	I357-T367 HydrophobicContact CG1-CG2 4.38Å; P365-T367 PolarHBondContact O-N 3.22Å
368	V	68.4	Low	61.3	Low	16 Å²	16	80 Å²	80	10%	0.097	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.5	-177.8	-180	0	0	0	0	109.7	A356 I358 L366 P370 K377	A356-V368 PolarHBondContact N-O 2.83Å; A356-V368 PolarHBondContact O-N 3.23Å; I358-V368 HydrophobicContact CB-CG2 4.28Å; I358-V368 HydrophobicContact CD1-CB 4.29Å; I358-V368 HydrophobicContact CD1-CG1 4.49Å; I358-V368 HydrophobicContact CD1-CG2 4.06Å; I358-V368 HydrophobicContact CG1-CB 4.44Å; I358-V368 HydrophobicContact CG1-CG2 4.12Å; L366-V368 HydrophobicContact CB-CG2 4.44Å; L366-V368 PolarHBondContact O-N 3.3Å; V368-P370 WeakPolarHBondContact O-CD 3.49Å; V368-K377 HydrophobicContact CG1-CB 3.54Å; V368-K377 HydrophobicContact CG1-CD 4.12Å; V368-K377 HydrophobicContact CG1-CG 3.75Å
369	Y	73.8	Confident	61.7	Low	52 Å²	52	85.1 Å²	85.1	20%	0.204	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	92.9	-179.1	-65.5	-90.9	0	0	0	109.5	T355 F378 R381	T355-Y369 HydrophobicContact CG2-CE1 4.08Å; Y369-F378 PolarHBondContact N-O 2.83Å; Y369-F378 PolarHBondContact O-N 2.88Å; Y369-R381 HydrophobicContact CD1-CB 4Å; Y369-R381 HydrophobicContact CE1-CB 3.78Å; Y369-R381 HydrophobicContact CE1-CG 4.38Å; Y369-R381 HydrophobicContact CE2-CB 4.39Å; Y369-R381 HydrophobicContact CG-CB 4.39Å
370	P	69.6	Low	63	Low	44 Å²	44	81.7 Å²	81.7	29%	0.286	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.3	176	30.3	-35.3	0	0	0	111.7	V368 K376 K377	V368-P370 WeakPolarHBondContact O-CD 3.49Å; P370-K376 CarbonylContact C-O 3.6Å; P370-K377 HydrophobicContact CB-CG 4.5Å
371	C	76.4	Confident	64.1	Low	1 Å²	1	85.3 Å²	85.3	1%	0.007	46%	0.461	C	S	.	.			trans	-89.8	115.8	168.6	-170	0	0	0	0	110.8	I373 C374 G375 K376 F378 L384	C371-I373 PolarHBondContact O-N 3.47Å; C371-C374 PolarHBondContact O-N 3.24Å; C371-G375 WeakPolarHBondContact O-CA 3.4Å; C371-G375 PolarHBondContact O-N 2.9Å; C371-K376 PolarHBondContact N-O 2.78Å; C371-F378 HydrophobicContact CB-CE2 4.19Å; C371-L384 HydrophobicContact CB-CD1 3.55Å
372	M	63.5	Low	65.3	Low	176 Å²	176	81.1 Å²	81.1	87%	0.867	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-3	-176.9	-47.2	-160.7	-40.6	0	0	114.6
373	I	64.8	Low	66.4	Low	71 Å²	71	80.1 Å²	80.1	36%	0.364	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-19.9	178.2	-59.6	173.2	0	0	0	111.6	C371 M388 H391	C371-I373 PolarHBondContact O-N 3.47Å; I373-M388 HydrophobicContact CD1-CE 4.07Å; I373-H391 HydrophobicContact CD1-CB 4.02Å; I373-H391 HydrophobicContact CG2-CB 4.42Å
374	C	71.3	Confident	67.7	Low	47 Å²	47	78.2 Å²	78.2	32%	0.318	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.7	15	-176.6	69.5	0	0	0	0	115.7	C371 K376 H387 H391	C371-C374 PolarHBondContact O-N 3.24Å; C374-K376 PolarHBondContact O-N 3Å; C374-H387 PolarHBondContact SG-NE2 3.03Å; C374-H391 WeakPolarHBondContact CB-NE2 3.25Å; C374-H391 PolarHBondContact SG-NE2 3.29Å
375	G	68.6	Low	69	Low	53 Å²	53	78 Å²	78	55%	0.546	41%	0.406	S	S	.	.			trans	70.2	-15.1	178.3	0	0	0	0	0	116.4	C371 K377	C371-G375 WeakPolarHBondContact O-CA 3.4Å; C371-G375 PolarHBondContact O-N 2.9Å; G375-K377 PolarHBondContact O-N 2.85Å
376	K	71.5	Confident	70.2	Confident	129 Å²	129	81.7 Å²	81.7	56%	0.561	41%	0.409	S	S	*	.			trans	-60.7	123.9	-170.8	-67.5	-177.3	-178	-175	0	112	P370 C371 C374 F378	P370-K376 CarbonylContact C-O 3.6Å; C371-K376 PolarHBondContact N-O 2.78Å; C374-K376 PolarHBondContact O-N 3Å; K376-F378 HydrophobicContact CB-CE2 3.75Å; K376-F378 HydrophobicContact CB-CZ 3.96Å; K376-F378 VanDerWaalsContact O-CD2 3.25Å; K376-F378 WeakPolarHBondContact O-CD2 3.15Å; K376-F378 VanDerWaalsContact O-CE2 3.22Å; K376-F378 WeakPolarHBondContact O-CE2 3.42Å
377	K	73.9	Confident	71	Confident	145 Å²	145	79.7 Å²	79.7	63%	0.63	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.5	-175.7	-76.4	176.7	179.9	177	0	110.8	I358 V368 P370 G375	I358-K377 HydrophobicContact CD1-CD 4.27Å; V368-K377 HydrophobicContact CG1-CB 3.54Å; V368-K377 HydrophobicContact CG1-CD 4.12Å; V368-K377 HydrophobicContact CG1-CG 3.75Å; P370-K377 HydrophobicContact CB-CG 4.5Å; G375-K377 PolarHBondContact O-N 2.85Å
378	F	76.6	Confident	71.3	Confident	42 Å²	42	78.7 Å²	78.7	18%	0.184	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.5	-179.5	-63.8	-84.6	0	0	0	112.3	Y369 C371 K376 S380 F383 L384 H387	Y369-F378 PolarHBondContact N-O 2.83Å; Y369-F378 PolarHBondContact O-N 2.88Å; C371-F378 HydrophobicContact CB-CE2 4.19Å; K376-F378 HydrophobicContact CB-CE2 3.75Å; K376-F378 HydrophobicContact CB-CZ 3.96Å; K376-F378 VanDerWaalsContact O-CD2 3.25Å; K376-F378 WeakPolarHBondContact O-CD2 3.15Å; K376-F378 VanDerWaalsContact O-CE2 3.22Å; K376-F378 WeakPolarHBondContact O-CE2 3.42Å; F378-S380 PolarHBondContact O-N 3.01Å; F378-S380 VanDerWaalsContact O-N 3.15Å; F378-F383 HydrophobicContact CB-CB 4.24Å; F378-F383 HydrophobicContact CD1-CB 3.85Å; F378-F383 HydrophobicContact CG-CB 4.33Å; F378-L384 HydrophobicContact CB-CB 4.34Å; F378-L384 HydrophobicContact CD2-CB 4.19Å; F378-L384 HydrophobicContact CD2-CD1 3.92Å; F378-L384 HydrophobicContact CE2-CD1 4.22Å; F378-L384 HydrophobicContact CG-CB 4.41Å; F378-H387 HydrophobicContact CE1-CB 4.09Å; F378-H387 HydrophobicContact CE2-CB 4Å; F378-H387 AromaticContact CE2-CD2 3.27Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.16Å; F378-H387 AromaticContact CE2-CG 3.67Å; F378-H387 AromaticContact CE2-NE2 3.89Å; F378-H387 HydrophobicContact CZ-CB 3.6Å; F378-H387 AromaticContact CZ-CD2 3.39Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.46Å; F378-H387 AromaticContact CZ-CG 3.3Å; F378-H387 AromaticContact CZ-ND1 3.8Å; F378-H387 AromaticContact CZ-NE2 3.89Å
379	K	67	Low	71.4	Confident	177 Å²	177	85 Å²	85	77%	0.77	42%	0.415	S	S	*	.	S	Bend	trans	-69.1	-2.8	176	-64.4	-170.5	176.7	-172.4	0	114.5	L366	L366-K379 HydrophobicContact CD2-CD 4.4Å
380	S	73.9	Confident	70.7	Confident	45 Å²	45	88.3 Å²	88.3	32%	0.315	44%	0.436	S	S	.	.	S	Bend	trans	-158.5	144.1	177.4	141.9	0	0	0	0	113.1	F378 G382 F383 L384	F378-S380 PolarHBondContact O-N 3.01Å; F378-S380 VanDerWaalsContact O-N 3.15Å; S380-G382 PolarHBondContact O-N 3.4Å; S380-G382 VanDerWaalsContact O-N 3.17Å; S380-G382 PolarHBondContact OG-N 2.84Å; S380-G382 VanDerWaalsContact OG-N 3.07Å; S380-F383 PolarHBondContact O-N 3.25Å; S380-L384 PolarHBondContact O-N 2.95Å; S380-L384 VanDerWaalsContact O-N 3.1Å
381	R	69.8	Low	70.5	Confident	105 Å²	105	88.1 Å²	88.1	40%	0.396	43%	0.431	S	S	.	.	H	α-helix	trans	-55.6	-26.5	173.8	-178.1	168.1	164.5	77.7	-9.3	113.6	Y369 K385	Y369-R381 HydrophobicContact CD1-CB 4Å; Y369-R381 HydrophobicContact CE1-CB 3.78Å; Y369-R381 HydrophobicContact CE1-CG 4.38Å; Y369-R381 HydrophobicContact CE2-CB 4.39Å; Y369-R381 HydrophobicContact CG-CB 4.39Å; R381-K385 WeakPolarHBondContact O-CB 3.48Å; R381-K385 WeakPolarHBondContact O-CG 3.46Å; R381-K385 PolarHBondContact O-N 3.46Å
382	G	73.4	Confident	69.5	Low	44 Å²	44	92.3 Å²	92.3	45%	0.454	46%	0.458	S	S	.	.	H	α-helix	trans	-70.4	-43	174.7	0	0	0	0	0	112.5	S380 K385 R386	S380-G382 PolarHBondContact O-N 3.4Å; S380-G382 VanDerWaalsContact O-N 3.17Å; S380-G382 PolarHBondContact OG-N 2.84Å; S380-G382 VanDerWaalsContact OG-N 3.07Å; G382-K385 PolarHBondContact O-N 3.18Å; G382-R386 PolarHBondContact O-N 2.94Å
383	F	74.9	Confident	68.8	Low	113 Å²	113	91 Å²	91	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-67.2	-42.5	174.9	-72.5	-97.5	0	0	0	111.3	F378 S380 K385 R386 H387	F378-F383 HydrophobicContact CB-CB 4.24Å; F378-F383 HydrophobicContact CD1-CB 3.85Å; F378-F383 HydrophobicContact CG-CB 4.33Å; S380-F383 PolarHBondContact O-N 3.25Å; F383-K385 PolarHBondContact O-N 3.35Å; F383-R386 PolarHBondContact O-N 3.21Å; F383-H387 WeakPolarHBondContact O-CB 3.42Å; F383-H387 PolarHBondContact O-N 3.43Å
384	L	76.3	Confident	68.2	Low	11 Å²	11	93 Å²	93	6%	0.058	46%	0.457	C	S	.	.	H	α-helix	trans	-59.2	-45	173.4	177.6	60.9	0	0	0	111.8	C371 F378 S380 R386 H387 M388	C371-L384 HydrophobicContact CB-CD1 3.55Å; F378-L384 HydrophobicContact CB-CB 4.34Å; F378-L384 HydrophobicContact CD2-CB 4.19Å; F378-L384 HydrophobicContact CD2-CD1 3.92Å; F378-L384 HydrophobicContact CE2-CD1 4.22Å; F378-L384 HydrophobicContact CG-CB 4.41Å; S380-L384 PolarHBondContact O-N 2.95Å; S380-L384 VanDerWaalsContact O-N 3.1Å; L384-R386 PolarHBondContact O-N 2.88Å; L384-H387 PolarHBondContact O-N 3.24Å; L384-M388 HydrophobicContact CD1-CG 3.82Å; L384-M388 HydrophobicContact CD1-SD 4.15Å; L384-M388 HydrophobicContact CG-CG 4.27Å; L384-M388 HydrophobicContact CG-SD 4.25Å; L384-M388 WeakPolarHBondContact O-CG 3.37Å; L384-M388 PolarHBondContact O-N 3.05Å
385	K	69.6	Low	67.2	Low	135 Å²	135	94.6 Å²	94.6	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-59.9	-41.9	175.7	-86	-173.3	172.9	-173.8	0	112.9	R381 G382 F383 K389	R381-K385 WeakPolarHBondContact O-CB 3.48Å; R381-K385 WeakPolarHBondContact O-CG 3.46Å; R381-K385 PolarHBondContact O-N 3.46Å; G382-K385 PolarHBondContact O-N 3.18Å; F383-K385 PolarHBondContact O-N 3.35Å; K385-K389 PolarHBondContact O-N 3.4Å
386	R	72.8	Confident	66.2	Low	162 Å²	162	96.2 Å²	96.2	61%	0.611	47%	0.47	S	S	*	.	H	α-helix	trans	-65	-40.4	175.6	175.5	162.8	56.8	178.9	-5	111.4	G382 F383 L384	G382-R386 PolarHBondContact O-N 2.94Å; F383-R386 PolarHBondContact O-N 3.21Å; L384-R386 PolarHBondContact O-N 2.88Å
387	H	73.8	Confident	65.5	Low	36 Å²	36	98.2 Å²	98.2	17%	0.167	48%	0.479	C	S	.	.	H	α-helix	trans	-67.4	-46.2	177.8	175.1	62.5	0	0	0	112.8	C374 F378 F383 L384 K389 N390 H391	C374-H387 PolarHBondContact SG-NE2 3.03Å; F378-H387 HydrophobicContact CE1-CB 4.09Å; F378-H387 HydrophobicContact CE2-CB 4Å; F378-H387 AromaticContact CE2-CD2 3.27Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.16Å; F378-H387 AromaticContact CE2-CG 3.67Å; F378-H387 AromaticContact CE2-NE2 3.89Å; F378-H387 HydrophobicContact CZ-CB 3.6Å; F378-H387 AromaticContact CZ-CD2 3.39Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.46Å; F378-H387 AromaticContact CZ-CG 3.3Å; F378-H387 AromaticContact CZ-ND1 3.8Å; F378-H387 AromaticContact CZ-NE2 3.89Å; F383-H387 WeakPolarHBondContact O-CB 3.42Å; F383-H387 PolarHBondContact O-N 3.43Å; L384-H387 PolarHBondContact O-N 3.24Å; H387-K389 PolarHBondContact O-N 2.86Å; H387-N390 WeakPolarHBondContact O-CB 3.48Å; H387-N390 PolarHBondContact O-N 3.17Å; H387-H391 AromaticContact NE2-NE2 3.93Å
388	M	67.9	Low	64.4	Low	48 Å²	48	96.3 Å²	96.3	24%	0.236	47%	0.471	C	S	.	.	H	α-helix	trans	-61.8	-26.3	178.5	-72	-168.2	76.5	0	0	113.4	I373 L384 N390 H391 H394	I373-M388 HydrophobicContact CD1-CE 4.07Å; L384-M388 HydrophobicContact CD1-CG 3.82Å; L384-M388 HydrophobicContact CD1-SD 4.15Å; L384-M388 HydrophobicContact CG-CG 4.27Å; L384-M388 HydrophobicContact CG-SD 4.25Å; L384-M388 WeakPolarHBondContact O-CG 3.37Å; L384-M388 PolarHBondContact O-N 3.05Å; M388-N390 PolarHBondContact O-N 2.94Å; M388-H391 PolarHBondContact O-N 3.11Å; M388-H394 PolarHBondContact O-CD2 3.21Å
389	K	70.3	Confident	63.4	Low	150 Å²	150	102.5 Å²	102.5	65%	0.652	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.2	173.8	-166.5	171.7	-177.9	175.4	0	113.6	K385 H387	K385-K389 PolarHBondContact O-N 3.4Å; H387-K389 PolarHBondContact O-N 2.86Å
390	N	59.6	Low	63.1	Low	121 Å²	121	98.1 Å²	98.1	65%	0.647	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.4	178.1	-61.7	4.9	0	0	0	112.8	H387 M388	H387-N390 WeakPolarHBondContact O-CB 3.48Å; H387-N390 PolarHBondContact O-N 3.17Å; M388-N390 PolarHBondContact O-N 2.94Å
391	H	63.7	Low	62.4	Low	39 Å²	39	105.5 Å²	105.5	18%	0.181	50%	0.498	C	S	.	.	S	Bend	trans	-83.9	145.3	176	-78.1	-51.1	0	0	0	112.4	I373 C374 H387 M388 E393 H394	I373-H391 HydrophobicContact CD1-CB 4.02Å; I373-H391 HydrophobicContact CG2-CB 4.42Å; C374-H391 WeakPolarHBondContact CB-NE2 3.25Å; C374-H391 PolarHBondContact SG-NE2 3.29Å; H387-H391 AromaticContact NE2-NE2 3.93Å; M388-H391 PolarHBondContact O-N 3.11Å; H391-E393 VanDerWaalsContact C-N 3.34Å; H391-E393 PolarHBondContact O-N 3.49Å; H391-H394 PolarHBondContact O-N 3.26Å; H391-H394 VanDerWaalsContact O-N 3.12Å
392	P	56.8	Low	62.5	Low	89 Å²	89	100.9 Å²	100.9	58%	0.578	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-63.7	-29.8	-168.5	22.5	-33	0	0	0	114.8	H394 L395	P392-H394 PolarHBondContact O-N 3.34Å; P392-L395 WeakPolarHBondContact O-CA 3.22Å; P392-L395 WeakPolarHBondContact O-CB 3.25Å; P392-L395 PolarHBondContact O-N 2.84Å
393	E	47.9	Very low	62.2	Low	150 Å²	150	104.4 Å²	104.4	70%	0.701	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.5	175.9	-63.6	-167.8	118.2	0	0	113.2	H391	H391-E393 VanDerWaalsContact C-N 3.34Å; H391-E393 PolarHBondContact O-N 3.49Å
394	H	52.4	Low	61.7	Low	112 Å²	112	103.2 Å²	103.2	52%	0.519	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-82.9	-11.2	174.8	-82.7	-57.2	0	0	0	113.6	M388 H391 P392	M388-H394 PolarHBondContact O-CD2 3.21Å; H391-H394 PolarHBondContact O-N 3.26Å; H391-H394 VanDerWaalsContact O-N 3.12Å; P392-H394 PolarHBondContact O-N 3.34Å
395	L	51.3	Low	61.4	Low	80 Å²	80	105.4 Å²	105.4	42%	0.419	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-81.4	-15.4	174	-62.5	176.9	0	0	0	112.9	P392 K397 K398	P392-L395 WeakPolarHBondContact O-CA 3.22Å; P392-L395 WeakPolarHBondContact O-CB 3.25Å; P392-L395 PolarHBondContact O-N 2.84Å; L395-K397 PolarHBondContact O-N 3.24Å; L395-K398 WeakPolarHBondContact O-CG 3.27Å
396	A	47.3	Very low	61.2	Low	87 Å²	87	106.5 Å²	106.5	72%	0.719	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-68.1	1.3	176.9	0	0	0	0	0	115.1
397	K	55.3	Low	61	Low	172 Å²	172	103.4 Å²	103.4	75%	0.748	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-116	32.3	178.6	-67.8	-172.9	176.8	179.1	0	114	L395 K399 N410	L395-K397 PolarHBondContact O-N 3.24Å; K397-K399 PolarHBondContact O-N 3.36Å; K397-N410 PolarHBondContact O-OD1 3.3Å
398	K	52	Low	61	Low	104 Å²	104	104.3 Å²	104.3	45%	0.452	52%	0.519	S	S	.	.			trans	-59.3	101.5	168.7	-79	164.6	164.2	-162.2	0	111.1	L395 T408 N410	L395-K398 WeakPolarHBondContact O-CG 3.27Å; K398-T408 PolarHBondContact NZ-OG1 3.22Å; K398-N410 VanDerWaalsContact CA-OD1 3.25Å; K398-N410 WeakPolarHBondContact CA-OD1 3.43Å; K398-N410 PolarHBondContact N-OD1 3.38Å
399	K	55.6	Low	61.3	Low	172 Å²	172	102.5 Å²	102.5	75%	0.748	51%	0.51	S	S	*	.			trans	-87.6	-9.7	178.7	-72.7	-163.2	173.6	-164.7	0	114.8	K397	K397-K399 PolarHBondContact O-N 3.36Å
400	Y	60.8	Low	61	Low	86 Å²	86	99.2 Å²	99.2	34%	0.337	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	105	-170.3	-63.1	-67.5	0	0	0	110.4	T408 T409 K412 L415	Y400-T408 CarbonylContact O-C 3.56Å; Y400-T408 WeakPolarHBondContact O-CA 3.48Å; Y400-T409 PolarHBondContact N-O 3.13Å; Y400-T409 PolarHBondContact O-N 3.14Å; Y400-K412 HydrophobicContact CE1-CB 4.25Å; Y400-K412 HydrophobicContact CE1-CG 4.42Å; Y400-K412 HydrophobicContact CE2-CB 4.22Å; Y400-L415 HydrophobicContact CD1-CD2 4.17Å; Y400-L415 HydrophobicContact CG-CD2 4.41Å
401	R	59.5	Low	61.7	Low	199 Å²	199	100 Å²	100	75%	0.751	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	148.8	168.6	63.7	178.8	178.8	179.2	1.6	109.9	T408 L415	R401-T408 HydrophobicContact CB-CG2 3.84Å; R401-L415 WeakPolarHBondContact O-CD2 3.37Å
402	C	70.8	Confident	62	Low	8 Å²	8	105.5 Å²	105.5	5%	0.054	52%	0.521	C	S	.	.			trans	-69.6	158.4	159.5	-159.9	0	0	0	0	109.9	D404 C405 Y407 L415 H418	C402-D404 PolarHBondContact SG-N 3.2Å; C402-D404 VanDerWaalsContact SG-N 3.39Å; C402-C405 WeakPolarHBondContact CB-O 3.41Å; C402-Y407 PolarHBondContact N-O 3.39Å; C402-L415 HydrophobicContact CB-CD1 4.09Å; C402-H418 WeakPolarHBondContact CB-NE2 3.39Å; C402-H418 PolarHBondContact SG-CD2 3.02Å; C402-H418 PolarHBondContact SG-NE2 3.35Å
403	T	68.5	Low	63	Low	119 Å²	119	107.4 Å²	107.4	73%	0.73	52%	0.524	S	S	*	.	S	Bend	trans	-89.4	-22.5	167.9	39.3	0	0	0	0	111.8
404	D	62.8	Low	64.2	Low	87 Å²	87	102.3 Å²	102.3	47%	0.465	51%	0.505	S	S	.	.	S	Bend	trans	-110.4	-5.9	-161.4	-43.7	-20.7	0	0	0	112.1	C402 H422	C402-D404 PolarHBondContact SG-N 3.2Å; C402-D404 VanDerWaalsContact SG-N 3.39Å; D404-H422 VanDerWaalsContact CB-CE1 3.47Å; D404-H422 WeakPolarHBondContact CB-CE1 3.23Å; D404-H422 WeakPolarHBondContact CB-ND1 3.4Å; D404-H422 PolarHBondContact O-CE1 3.49Å; D404-H422 IonicContact OD2-CG 3.53Å
405	C	71.4	Confident	65.4	Low	57 Å²	57	98 Å²	98	39%	0.385	49%	0.486	S	S	.	.	S	Bend	trans	-166	177	166.4	72.5	0	0	0	0	111.8	C402 Y407 H418 H422	C402-C405 WeakPolarHBondContact CB-O 3.41Å; C405-Y407 PolarHBondContact O-N 3.48Å; C405-Y407 VanDerWaalsContact SG-CB 3.58Å; C405-H418 PolarHBondContact SG-CE1 3.38Å; C405-H418 PolarHBondContact SG-NE2 3.17Å; C405-H422 PolarHBondContact SG-NE2 3.44Å; C405-H422 VanDerWaalsContact SG-NE2 3.36Å
406	D	63.9	Low	66.5	Low	158 Å²	158	99.1 Å²	99.1	85%	0.845	49%	0.489	S	S	*	.	S	Bend	trans	-69.1	5	-178.3	-62	-58.1	0	0	0	116.2	T408	D406-T408 PolarHBondContact O-N 3.44Å; D406-T408 PolarHBondContact O-OG1 2.84Å
407	Y	69.4	Low	67.8	Low	98 Å²	98	99.7 Å²	99.7	38%	0.384	48%	0.48	S	S	.	.			trans	-66.5	121.2	-177.1	-173.6	-105.3	0	0	0	111.9	C402 C405 T409 S414 H418	C402-Y407 PolarHBondContact N-O 3.39Å; C405-Y407 PolarHBondContact O-N 3.48Å; C405-Y407 VanDerWaalsContact SG-CB 3.58Å; Y407-T409 HydrophobicContact CD1-CG2 3.69Å; Y407-T409 HydrophobicContact CE1-CG2 3.08Å; Y407-T409 HydrophobicContact CE2-CG2 4.42Å; Y407-S414 PolarHBondContact OH-OG 3.13Å; Y407-H418 WeakPolarHBondContact CB-NE2 3.46Å; Y407-H418 HydrophobicContact CD1-CB 3.83Å; Y407-H418 AromaticContact CD1-CD2 3.28Å; Y407-H418 WeakPolarHBondContact CD1-CD2 3.28Å; Y407-H418 AromaticContact CD1-CE1 3.95Å; Y407-H418 AromaticContact CD1-CG 3.3Å; Y407-H418 AromaticContact CD1-ND1 3.76Å; Y407-H418 AromaticContact CD1-NE2 3.67Å; Y407-H418 HydrophobicContact CE1-CB 3.64Å; Y407-H418 AromaticContact CE1-CG 3.63Å; Y407-H418 AromaticContact CG-CD2 3.93Å; Y407-H418 AromaticContact CG-CE1 3.9Å; Y407-H418 AromaticContact CG-NE2 3.83Å
408	T	73.3	Confident	68.8	Low	55 Å²	55	92.7 Å²	92.7	34%	0.337	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.9	-171.4	42.4	0	0	0	0	111.9	K398 Y400 R401 D406	K398-T408 PolarHBondContact NZ-OG1 3.22Å; Y400-T408 CarbonylContact O-C 3.56Å; Y400-T408 WeakPolarHBondContact O-CA 3.48Å; R401-T408 HydrophobicContact CB-CG2 3.84Å; D406-T408 PolarHBondContact O-N 3.44Å; D406-T408 PolarHBondContact O-OG1 2.84Å
409	T	75.7	Confident	69.8	Low	10 Å²	10	90.2 Å²	90.2	6%	0.061	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.6	-171.4	81.1	0	0	0	0	114.6	Y400 Y407 K411	Y400-T409 PolarHBondContact N-O 3.13Å; Y400-T409 PolarHBondContact O-N 3.14Å; Y407-T409 HydrophobicContact CD1-CG2 3.69Å; Y407-T409 HydrophobicContact CE1-CG2 3.08Å; Y407-T409 HydrophobicContact CE2-CG2 4.42Å; T409-K411 PolarHBondContact OG1-N 3.21Å; T409-K411 PolarHBondContact OG1-O 3.18Å
410	N	63.9	Low	70.6	Confident	80 Å²	80	86.3 Å²	86.3	43%	0.428	43%	0.426	S	S	.	.	S	Bend	trans	-103.4	14.9	174.4	-67.8	-51.5	0	0	0	112.9	K397 K398	K397-N410 PolarHBondContact O-OD1 3.3Å; K398-N410 VanDerWaalsContact CA-OD1 3.25Å; K398-N410 WeakPolarHBondContact CA-OD1 3.43Å; K398-N410 PolarHBondContact N-OD1 3.38Å
411	K	73.9	Confident	70.9	Confident	139 Å²	139	84.8 Å²	84.8	60%	0.604	43%	0.428	S	S	*	.			trans	-145.6	122.6	-175.3	-75.1	-175.3	174.8	-174	0	111.6	T409 I413 S414 L415	T409-K411 PolarHBondContact OG1-N 3.21Å; T409-K411 PolarHBondContact OG1-O 3.18Å; K411-I413 VanDerWaalsContact C-N 3.27Å; K411-I413 PolarHBondContact O-N 3.45Å; K411-S414 WeakPolarHBondContact O-CB 3.47Å; K411-S414 PolarHBondContact O-N 3.15Å; K411-L415 PolarHBondContact O-N 3.07Å; K411-L415 VanDerWaalsContact O-N 3.11Å
412	K	69.9	Low	71.1	Confident	154 Å²	154	76.8 Å²	76.8	67%	0.67	40%	0.399	S	S	*	.	H	α-helix	trans	-52.3	-41.4	175.2	-171.1	179.5	179.4	-177	0	113.1	Y400 S414 L415 H416	Y400-K412 HydrophobicContact CE1-CB 4.25Å; Y400-K412 HydrophobicContact CE1-CG 4.42Å; Y400-K412 HydrophobicContact CE2-CB 4.22Å; K412-S414 PolarHBondContact O-N 3.17Å; K412-L415 PolarHBondContact O-N 3.06Å; K412-H416 PolarHBondContact O-N 3.1Å
413	I	76.5	Confident	70.6	Confident	128 Å²	128	83.4 Å²	83.4	66%	0.656	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-39.9	176.5	-63.8	161.8	0	0	0	111.6	K411 L415 H416 N417	K411-I413 VanDerWaalsContact C-N 3.27Å; K411-I413 PolarHBondContact O-N 3.45Å; I413-L415 VanDerWaalsContact C-N 3.28Å; I413-L415 PolarHBondContact O-N 3.4Å; I413-H416 WeakPolarHBondContact O-CB 3.39Å; I413-H416 PolarHBondContact O-N 2.91Å; I413-H416 VanDerWaalsContact O-N 3.13Å; I413-N417 PolarHBondContact O-N 3Å; I413-N417 PolarHBondContact O-OD1 2.81Å
414	S	74.3	Confident	70.1	Confident	43 Å²	43	82.9 Å²	82.9	30%	0.301	42%	0.419	S	S	.	.	H	α-helix	trans	-70.7	-26.6	178.6	-155.6	0	0	0	0	112.4	Y407 K411 K412 H418	Y407-S414 PolarHBondContact OH-OG 3.13Å; K411-S414 WeakPolarHBondContact O-CB 3.47Å; K411-S414 PolarHBondContact O-N 3.15Å; K412-S414 PolarHBondContact O-N 3.17Å; S414-H418 WeakPolarHBondContact O-CB 3.37Å
415	L	76.5	Confident	69.6	Low	21 Å²	21	83.2 Å²	83.2	11%	0.11	42%	0.424	C	S	.	.	H	α-helix	trans	-75.3	-38.4	167.5	179.5	63.4	0	0	0	111.5	Y400 R401 C402 K411 K412 I413 H418 L419	Y400-L415 HydrophobicContact CD1-CD2 4.17Å; Y400-L415 HydrophobicContact CG-CD2 4.41Å; R401-L415 WeakPolarHBondContact O-CD2 3.37Å; C402-L415 HydrophobicContact CB-CD1 4.09Å; K411-L415 PolarHBondContact O-N 3.07Å; K411-L415 VanDerWaalsContact O-N 3.11Å; K412-L415 PolarHBondContact O-N 3.06Å; I413-L415 VanDerWaalsContact C-N 3.28Å; I413-L415 PolarHBondContact O-N 3.4Å; L415-H418 PolarHBondContact O-N 3.4Å; L415-L419 HydrophobicContact CD1-CD1 4.12Å; L415-L419 HydrophobicContact CD1-CG 4.08Å; L415-L419 HydrophobicContact CD2-CD1 4.26Å; L415-L419 HydrophobicContact CG-CD1 3.81Å; L415-L419 HydrophobicContact CG-CG 4.26Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.01Å
416	H	74.8	Confident	68.6	Low	104 Å²	104	85.2 Å²	85.2	48%	0.481	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-57.2	177.8	-170.2	-78.6	0	0	0	111.5	K412 I413 H418 L419 E420	K412-H416 PolarHBondContact O-N 3.1Å; I413-H416 WeakPolarHBondContact O-CB 3.39Å; I413-H416 PolarHBondContact O-N 2.91Å; I413-H416 VanDerWaalsContact O-N 3.13Å; H416-H418 PolarHBondContact O-N 3.13Å; H416-L419 PolarHBondContact O-N 3.17Å; H416-L419 VanDerWaalsContact O-N 3.13Å; H416-E420 IonicContact CE1-OE1 3.65Å; H416-E420 IonicContact CE1-OE2 3.74Å; H416-E420 PolarHBondContact CE1-OE2 3.34Å; H416-E420 IonicContact ND1-OE2 2.68Å; H416-E420 PolarHBondContact ND1-OE2 3.19Å; H416-E420 WeakPolarHBondContact O-CB 3.49Å; H416-E420 PolarHBondContact O-N 3.39Å
417	N	74.4	Confident	67.8	Low	100 Å²	100	85.3 Å²	85.3	54%	0.535	43%	0.432	S	S	.	.	H	α-helix	trans	-58.1	-23	179.3	-64.7	41.6	0	0	0	112.7	I413 S421	I413-N417 PolarHBondContact O-N 3Å; I413-N417 PolarHBondContact O-OD1 2.81Å; N417-S421 PolarHBondContact O-N 3.03Å; N417-S421 VanDerWaalsContact O-N 3.17Å
418	H	76.7	Confident	66.8	Low	24 Å²	24	84.9 Å²	84.9	11%	0.111	45%	0.448	C	S	.	.	H	α-helix	trans	-85.9	-43.5	176.9	170.5	66.2	0	0	0	112.9	C402 C405 Y407 S414 L415 H416 E420 S421 H422	C402-H418 WeakPolarHBondContact CB-NE2 3.39Å; C402-H418 PolarHBondContact SG-CD2 3.02Å; C402-H418 PolarHBondContact SG-NE2 3.35Å; C405-H418 PolarHBondContact SG-CE1 3.38Å; C405-H418 PolarHBondContact SG-NE2 3.17Å; Y407-H418 WeakPolarHBondContact CB-NE2 3.46Å; Y407-H418 HydrophobicContact CD1-CB 3.83Å; Y407-H418 AromaticContact CD1-CD2 3.28Å; Y407-H418 WeakPolarHBondContact CD1-CD2 3.28Å; Y407-H418 AromaticContact CD1-CE1 3.95Å; Y407-H418 AromaticContact CD1-CG 3.3Å; Y407-H418 AromaticContact CD1-ND1 3.76Å; Y407-H418 AromaticContact CD1-NE2 3.67Å; Y407-H418 HydrophobicContact CE1-CB 3.64Å; Y407-H418 AromaticContact CE1-CG 3.63Å; Y407-H418 AromaticContact CG-CD2 3.93Å; Y407-H418 AromaticContact CG-CE1 3.9Å; Y407-H418 AromaticContact CG-NE2 3.83Å; S414-H418 WeakPolarHBondContact O-CB 3.37Å; L415-H418 PolarHBondContact O-N 3.4Å; H416-H418 PolarHBondContact O-N 3.13Å; H418-E420 PolarHBondContact O-N 3.11Å; H418-S421 WeakPolarHBondContact O-CA 3.21Å; H418-S421 WeakPolarHBondContact O-CB 3.4Å; H418-S421 PolarHBondContact O-N 2.62Å; H418-S421 PolarHBondContact O-OG 3.01Å; H418-H422 AromaticContact CD2-CD2 3.99Å; H418-H422 AromaticContact CE1-CD2 3.44Å; H418-H422 PolarHBondContact CE1-CD2 3.28Å; H418-H422 VanDerWaalsContact CE1-CD2 3.44Å; H418-H422 AromaticContact CE1-NE2 3.17Å; H418-H422 PolarHBondContact CE1-NE2 3.05Å; H418-H422 AromaticContact NE2-CD2 3.38Å; H418-H422 PolarHBondContact NE2-CD2 2.86Å; H418-H422 AromaticContact NE2-NE2 3.2Å; H418-H422 PolarHBondContact NE2-NE2 3.33Å; H418-H422 VanDerWaalsContact NE2-NE2 3.2Å; H418-H422 PolarHBondContact O-CD2 2.95Å; H418-H422 PolarHBondContact O-N 3.45Å
419	L	73.1	Confident	65.8	Low	52 Å²	52	91.1 Å²	91.1	27%	0.272	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-28.8	167.4	-73.4	166.9	0	0	0	111.4	L415 H416 H422 K423	L415-L419 HydrophobicContact CD1-CD1 4.12Å; L415-L419 HydrophobicContact CD1-CG 4.08Å; L415-L419 HydrophobicContact CD2-CD1 4.26Å; L415-L419 HydrophobicContact CG-CD1 3.81Å; L415-L419 HydrophobicContact CG-CG 4.26Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.01Å; H416-L419 PolarHBondContact O-N 3.17Å; H416-L419 VanDerWaalsContact O-N 3.13Å; L419-H422 PolarHBondContact O-N 2.7Å; L419-K423 WeakPolarHBondContact O-CG 3.48Å; L419-K423 PolarHBondContact O-N 2.68Å
420	E	73.3	Confident	64.6	Low	91 Å²	91	99.1 Å²	99.1	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-71.3	-35.2	172.8	-165.6	154.6	-142	0	0	111.7	H416 H418 K423 L424	H416-E420 IonicContact CE1-OE1 3.65Å; H416-E420 IonicContact CE1-OE2 3.74Å; H416-E420 PolarHBondContact CE1-OE2 3.34Å; H416-E420 IonicContact ND1-OE2 2.68Å; H416-E420 PolarHBondContact ND1-OE2 3.19Å; H416-E420 WeakPolarHBondContact O-CB 3.49Å; H416-E420 PolarHBondContact O-N 3.39Å; H418-E420 PolarHBondContact O-N 3.11Å; E420-K423 PolarHBondContact O-N 2.98Å; E420-L424 WeakPolarHBondContact O-CG 3.44Å; E420-L424 PolarHBondContact O-N 3.37Å
421	S	65.4	Low	64.2	Low	53 Å²	53	97.7 Å²	97.7	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-37.6	166.1	68.4	0	0	0	0	112.8	N417 H418 L424 T425	N417-S421 PolarHBondContact O-N 3.03Å; N417-S421 VanDerWaalsContact O-N 3.17Å; H418-S421 WeakPolarHBondContact O-CA 3.21Å; H418-S421 WeakPolarHBondContact O-CB 3.4Å; H418-S421 PolarHBondContact O-N 2.62Å; H418-S421 PolarHBondContact O-OG 3.01Å; S421-L424 PolarHBondContact O-N 3.23Å; S421-T425 PolarHBondContact O-N 2.81Å; S421-T425 PolarHBondContact O-OG1 3.16Å
422	H	64.9	Low	63.7	Low	32 Å²	32	94.5 Å²	94.5	15%	0.148	50%	0.496	C	S	.	.	H	α-helix	trans	-64.4	-39.6	171.4	-80.4	-79	0	0	0	112.4	D404 C405 H418 L419 L424 T425 S426	D404-H422 VanDerWaalsContact CB-CE1 3.47Å; D404-H422 WeakPolarHBondContact CB-CE1 3.23Å; D404-H422 WeakPolarHBondContact CB-ND1 3.4Å; D404-H422 PolarHBondContact O-CE1 3.49Å; D404-H422 IonicContact OD2-CG 3.53Å; C405-H422 PolarHBondContact SG-NE2 3.44Å; C405-H422 VanDerWaalsContact SG-NE2 3.36Å; H418-H422 AromaticContact CD2-CD2 3.99Å; H418-H422 AromaticContact CE1-CD2 3.44Å; H418-H422 PolarHBondContact CE1-CD2 3.28Å; H418-H422 VanDerWaalsContact CE1-CD2 3.44Å; H418-H422 AromaticContact CE1-NE2 3.17Å; H418-H422 PolarHBondContact CE1-NE2 3.05Å; H418-H422 AromaticContact NE2-CD2 3.38Å; H418-H422 PolarHBondContact NE2-CD2 2.86Å; H418-H422 AromaticContact NE2-NE2 3.2Å; H418-H422 PolarHBondContact NE2-NE2 3.33Å; H418-H422 VanDerWaalsContact NE2-NE2 3.2Å; H418-H422 PolarHBondContact O-CD2 2.95Å; H418-H422 PolarHBondContact O-N 3.45Å; L419-H422 PolarHBondContact O-N 2.7Å; H422-L424 VanDerWaalsContact C-N 3.26Å; H422-L424 PolarHBondContact O-N 3.2Å; H422-T425 WeakPolarHBondContact CA-OG1 3.4Å; H422-T425 PolarHBondContact O-N 3.46Å; H422-T425 PolarHBondContact O-OG1 2.9Å; H422-S426 WeakPolarHBondContact O-CB 3.4Å; H422-S426 PolarHBondContact O-N 3.28Å; H422-S426 PolarHBondContact O-OG 3.41Å
423	K	60.8	Low	63.4	Low	147 Å²	147	92.8 Å²	92.8	64%	0.639	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-29.8	172.5	-75.6	176.6	179.5	-178.5	0	113.5	L419 E420 K427	L419-K423 WeakPolarHBondContact O-CG 3.48Å; L419-K423 PolarHBondContact O-N 2.68Å; E420-K423 PolarHBondContact O-N 2.98Å; K423-K427 PolarHBondContact O-N 3.5Å
424	L	56.4	Low	63.1	Low	107 Å²	107	86.7 Å²	86.7	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-75	-37.4	173.4	-71.8	166.8	0	0	0	111.8	E420 S421 H422	E420-L424 WeakPolarHBondContact O-CG 3.44Å; E420-L424 PolarHBondContact O-N 3.37Å; S421-L424 PolarHBondContact O-N 3.23Å; H422-L424 VanDerWaalsContact C-N 3.26Å; H422-L424 PolarHBondContact O-N 3.2Å
425	T	52.1	Low	63	Low	94 Å²	94	90.7 Å²	90.7	58%	0.577	48%	0.477	S	S	*	.	H	α-helix	trans	-76.5	-34.1	176.2	53.6	0	0	0	0	113.5	S421 H422 K427 A428	S421-T425 PolarHBondContact O-N 2.81Å; S421-T425 PolarHBondContact O-OG1 3.16Å; H422-T425 WeakPolarHBondContact CA-OG1 3.4Å; H422-T425 PolarHBondContact O-N 3.46Å; H422-T425 PolarHBondContact O-OG1 2.9Å; T425-K427 PolarHBondContact O-N 3.42Å; T425-A428 PolarHBondContact O-N 2.81Å
426	S	50.7	Low	62.3	Low	99 Å²	99	94.8 Å²	94.8	69%	0.692	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-1	177.6	-61.2	0	0	0	0	113.6	H422	H422-S426 WeakPolarHBondContact O-CB 3.4Å; H422-S426 PolarHBondContact O-N 3.28Å; H422-S426 PolarHBondContact O-OG 3.41Å
427	K	47.8	Very low	61.9	Low	161 Å²	161	92.2 Å²	92.2	70%	0.7	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	45.4	165.1	-94.7	-170.9	169	-175.7	0	111.6	K423 T425 E429 K430	K423-K427 PolarHBondContact O-N 3.5Å; T425-K427 PolarHBondContact O-N 3.42Å; K427-E429 PolarHBondContact O-N 3.14Å; K427-K430 PolarHBondContact O-N 3.27Å
428	A	48.8	Very low	61.6	Low	88 Å²	88	89.4 Å²	89.4	73%	0.727	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	5.1	178.1	0	0	0	0	0	115.6	T425	T425-A428 PolarHBondContact O-N 2.81Å
429	E	51.5	Low	61.1	Low	187 Å²	187	93.9 Å²	93.9	87%	0.874	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	12.3	178.7	-64.3	-172.1	148.8	0	0	114	K427	K427-E429 PolarHBondContact O-N 3.14Å
430	K	51.9	Low	60.9	Low	178 Å²	178	97.7 Å²	97.7	77%	0.774	52%	0.519	S	S	*	.			trans	-129.7	59.8	163.5	-66.9	-156.5	176.6	-146.6	0	111.6	K427 I432	K427-K430 PolarHBondContact O-N 3.27Å; K430-I432 PolarHBondContact O-N 3.46Å
431	A	55.2	Low	60.9	Low	50 Å²	50	95.4 Å²	95.4	41%	0.413	51%	0.507	S	S	.	.			trans	-56.4	125.5	154.1	0	0	0	0	0	107.8	E433 H440	A431-E433 PolarHBondContact O-N 2.86Å; A431-H440 HydrophobicContact CB-CB 4.11Å
432	I	61.9	Low	60.5	Low	72 Å²	72	97.3 Å²	97.3	37%	0.369	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.5	-172.4	-39.4	177.7	0	0	0	107.5	K430 F441 A444 L447	K430-I432 PolarHBondContact O-N 3.46Å; I432-F441 PolarHBondContact N-O 3.32Å; I432-F441 PolarHBondContact O-N 3.39Å; I432-A444 HydrophobicContact CD1-CB 3.93Å; I432-L447 HydrophobicContact CB-CD2 4.16Å; I432-L447 HydrophobicContact CG2-CD2 3.55Å
433	E	63.8	Low	60.7	Low	117 Å²	117	100.8 Å²	100.8	55%	0.547	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.1	179.3	68	-165.3	136.7	0	0	112.2	A431 K439 L447	A431-E433 PolarHBondContact O-N 2.86Å; E433-K439 CarbonylContact C-O 3.45Å; E433-K439 WeakPolarHBondContact CA-O 3.38Å; E433-L447 WeakPolarHBondContact O-CD1 3.36Å
434	C	71.6	Confident	61	Low	0 Å²	0	96.8 Å²	96.8	0%	0	53%	0.531	C	S	.	.			trans	-102	109.5	169.9	-168.8	0	0	0	0	109	E436 C437 G438 K439 F441 L447 H450 H454	C434-E436 PolarHBondContact O-N 3.29Å; C434-C437 CarbonylContact O-C 3.55Å; C434-C437 PolarHBondContact O-N 2.93Å; C434-G438 PolarHBondContact O-N 2.9Å; C434-K439 PolarHBondContact N-O 2.92Å; C434-F441 HydrophobicContact CB-CE2 4.26Å; C434-L447 HydrophobicContact CB-CD1 3.69Å; C434-H450 VanDerWaalsContact SG-CD2 3.56Å; C434-H454 PolarHBondContact SG-CD2 3.3Å; C434-H454 PolarHBondContact SG-NE2 2.83Å; C434-H454 VanDerWaalsContact SG-NE2 3.44Å
435	D	70.8	Confident	61.6	Low	128 Å²	128	94.1 Å²	94.1	68%	0.684	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.4	-176.5	-40.2	-112.6	0	0	0	112.7	K451	D435-K451 VanDerWaalsContact OD2-CE 3.32Å; D435-K451 WeakPolarHBondContact OD2-CE 3.26Å; D435-K451 IonicContact OD2-NZ 3.31Å; D435-K451 PolarHBondContact OD2-NZ 3.05Å
436	E	61.8	Low	62.6	Low	106 Å²	106	91.3 Å²	91.3	50%	0.495	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.3	-178.6	-64.7	156.6	127.5	0	0	114.1	C434 H454	C434-E436 PolarHBondContact O-N 3.29Å; E436-H454 HydrophobicContact CB-CB 4.19Å; E436-H454 VanDerWaalsContact CD-CB 3.48Å; E436-H454 HydrophobicContact CG-CB 4.34Å; E436-H454 WeakPolarHBondContact OE1-CB 3.45Å; E436-H454 IonicContact OE2-CD2 3.35Å; E436-H454 PolarHBondContact OE2-CD2 3.05Å; E436-H454 IonicContact OE2-CG 2.57Å
437	C	66.4	Low	63.6	Low	50 Å²	50	87.4 Å²	87.4	34%	0.338	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.4	13.9	-179.6	79.5	0	0	0	0	117.7	C434 K439 H450 H454	C434-C437 CarbonylContact O-C 3.55Å; C434-C437 PolarHBondContact O-N 2.93Å; C437-K439 PolarHBondContact O-N 3.27Å; C437-H450 PolarHBondContact SG-NE2 3.16Å; C437-H454 PolarHBondContact SG-NE2 3.47Å; C437-H454 VanDerWaalsContact SG-NE2 3.36Å
438	G	68.5	Low	64.5	Low	42 Å²	42	86.4 Å²	86.4	43%	0.433	48%	0.483	S	S	.	.			trans	64.3	11.8	175.6	0	0	0	0	0	116.6	C434 H440	C434-G438 PolarHBondContact O-N 2.9Å; G438-H440 PolarHBondContact O-CE1 3.22Å; G438-H440 PolarHBondContact O-ND1 3.29Å
439	K	66.8	Low	65.5	Low	118 Å²	118	85.3 Å²	85.3	51%	0.513	47%	0.467	S	S	.	.			trans	-79.8	131.2	-179.3	-74.1	176.4	-171.3	167.4	0	110.8	E433 C434 C437 F441	E433-K439 CarbonylContact C-O 3.45Å; E433-K439 WeakPolarHBondContact CA-O 3.38Å; C434-K439 PolarHBondContact N-O 2.92Å; C437-K439 PolarHBondContact O-N 3.27Å; K439-F441 HydrophobicContact CB-CE2 3.54Å; K439-F441 HydrophobicContact CB-CZ 3.88Å; K439-F441 VanDerWaalsContact O-CD2 3.23Å; K439-F441 WeakPolarHBondContact O-CD2 3.34Å; K439-F441 VanDerWaalsContact O-CE2 3.25Å; K439-F441 WeakPolarHBondContact O-CE2 3.35Å
440	H	68	Low	66.4	Low	132 Å²	132	77.7 Å²	77.7	61%	0.611	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.3	-173.9	-69.7	89.3	0	0	0	111.6	A431 G438	A431-H440 HydrophobicContact CB-CB 4.11Å; G438-H440 PolarHBondContact O-CE1 3.22Å; G438-H440 PolarHBondContact O-ND1 3.29Å
441	F	73.1	Confident	67	Low	43 Å²	43	72.2 Å²	72.2	19%	0.189	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.4	-179.1	-63.7	-87.4	0	0	0	112.7	I432 C434 K439 H443 A446 L447 H450	I432-F441 PolarHBondContact N-O 3.32Å; I432-F441 PolarHBondContact O-N 3.39Å; C434-F441 HydrophobicContact CB-CE2 4.26Å; K439-F441 HydrophobicContact CB-CE2 3.54Å; K439-F441 HydrophobicContact CB-CZ 3.88Å; K439-F441 VanDerWaalsContact O-CD2 3.23Å; K439-F441 WeakPolarHBondContact O-CD2 3.34Å; K439-F441 VanDerWaalsContact O-CE2 3.25Å; K439-F441 WeakPolarHBondContact O-CE2 3.35Å; F441-H443 VanDerWaalsContact C-N 3.33Å; F441-H443 PolarHBondContact O-N 3.32Å; F441-A446 HydrophobicContact CB-CB 4.45Å; F441-A446 HydrophobicContact CD1-CB 3.96Å; F441-L447 HydrophobicContact CB-CB 4.18Å; F441-L447 HydrophobicContact CD2-CB 4.3Å; F441-L447 HydrophobicContact CD2-CD1 3.57Å; F441-L447 HydrophobicContact CE2-CD1 4.08Å; F441-L447 HydrophobicContact CG-CB 4.32Å; F441-L447 HydrophobicContact CG-CD1 4.39Å; F441-H450 HydrophobicContact CE1-CB 4Å; F441-H450 HydrophobicContact CE2-CB 4.01Å; F441-H450 AromaticContact CE2-CD2 3.24Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.31Å; F441-H450 AromaticContact CE2-CG 3.74Å; F441-H450 HydrophobicContact CZ-CB 3.58Å; F441-H450 AromaticContact CZ-CD2 3.26Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.43Å; F441-H450 AromaticContact CZ-CG 3.31Å; F441-H450 AromaticContact CZ-NE2 3.97Å
442	S	56.9	Low	67.4	Low	93 Å²	93	72.9 Å²	72.9	65%	0.65	40%	0.403	S	S	*	.	S	Bend	trans	-71.8	-23.9	179.4	54.9	0	0	0	0	113.9
443	H	70.5	Confident	67.4	Low	105 Å²	105	73 Å²	73	49%	0.486	41%	0.407	S	S	.	.	S	Bend	trans	-141.7	140	-174.8	-58.8	-35.4	0	0	0	111.4	F441 G445 A446 L447	F441-H443 VanDerWaalsContact C-N 3.33Å; F441-H443 PolarHBondContact O-N 3.32Å; H443-G445 PolarHBondContact O-N 3.21Å; H443-G445 VanDerWaalsContact O-N 3.13Å; H443-A446 PolarHBondContact O-N 3.06Å; H443-L447 PolarHBondContact O-N 3.22Å
444	A	65.9	Low	67.4	Low	63 Å²	63	70.3 Å²	70.3	52%	0.521	39%	0.394	S	S	.	.	H	α-helix	trans	-58.3	-28.1	179.5	0	0	0	0	0	113.8	I432 L447 F448	I432-A444 HydrophobicContact CD1-CB 3.93Å; A444-L447 PolarHBondContact O-N 3.4Å; A444-F448 WeakPolarHBondContact O-CB 3.34Å; A444-F448 PolarHBondContact O-N 3.09Å
445	G	70.6	Confident	66.7	Low	50 Å²	50	76.5 Å²	76.5	52%	0.515	42%	0.421	S	S	.	.	H	α-helix	trans	-66.6	-37.7	173.7	0	0	0	0	0	113.5	H443 F448 T449	H443-G445 PolarHBondContact O-N 3.21Å; H443-G445 VanDerWaalsContact O-N 3.13Å; G445-F448 PolarHBondContact O-N 3.36Å; G445-T449 PolarHBondContact O-N 3.16Å; G445-T449 PolarHBondContact O-OG1 2.99Å
446	A	71.8	Confident	66.1	Low	36 Å²	36	77.2 Å²	77.2	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-72	-37	176.2	0	0	0	0	0	111.5	F441 H443 F448 T449 H450	F441-A446 HydrophobicContact CB-CB 4.45Å; F441-A446 HydrophobicContact CD1-CB 3.96Å; H443-A446 PolarHBondContact O-N 3.06Å; A446-F448 VanDerWaalsContact C-N 3.35Å; A446-T449 WeakPolarHBondContact CA-OG1 3.42Å; A446-T449 PolarHBondContact O-OG1 2.7Å; A446-H450 WeakPolarHBondContact O-CB 3.49Å; A446-H450 PolarHBondContact O-N 3.3Å
447	L	71.7	Confident	65.8	Low	17 Å²	17	82.4 Å²	82.4	9%	0.089	44%	0.441	C	S	.	.	H	α-helix	trans	-62.1	-41.9	169.2	-176.9	71.9	0	0	0	111.5	I432 E433 C434 F441 H443 A444 H450 K451	I432-L447 HydrophobicContact CB-CD2 4.16Å; I432-L447 HydrophobicContact CG2-CD2 3.55Å; E433-L447 WeakPolarHBondContact O-CD1 3.36Å; C434-L447 HydrophobicContact CB-CD1 3.69Å; F441-L447 HydrophobicContact CB-CB 4.18Å; F441-L447 HydrophobicContact CD2-CB 4.3Å; F441-L447 HydrophobicContact CD2-CD1 3.57Å; F441-L447 HydrophobicContact CE2-CD1 4.08Å; F441-L447 HydrophobicContact CG-CB 4.32Å; F441-L447 HydrophobicContact CG-CD1 4.39Å; H443-L447 PolarHBondContact O-N 3.22Å; A444-L447 PolarHBondContact O-N 3.4Å; L447-H450 CarbonylContact O-C 3.44Å; L447-H450 PolarHBondContact O-N 3.33Å; L447-H450 VanDerWaalsContact O-N 3.14Å; L447-K451 HydrophobicContact CD1-CG 4.41Å; L447-K451 HydrophobicContact CG-CD 4.28Å; L447-K451 HydrophobicContact CG-CG 4.36Å; L447-K451 PolarHBondContact O-N 3.03Å
448	F	66.7	Low	65	Low	139 Å²	139	82.7 Å²	82.7	61%	0.61	45%	0.452	S	S	*	.	H	α-helix	trans	-61.5	-49.8	178.9	-178.2	-90.9	0	0	0	111.5	A444 G445 A446 H450 K451 M452	A444-F448 WeakPolarHBondContact O-CB 3.34Å; A444-F448 PolarHBondContact O-N 3.09Å; G445-F448 PolarHBondContact O-N 3.36Å; A446-F448 VanDerWaalsContact C-N 3.35Å; F448-H450 PolarHBondContact O-N 3.34Å; F448-K451 PolarHBondContact O-N 2.94Å; F448-M452 HydrophobicContact CD1-CG 4.47Å; F448-M452 HydrophobicContact CE1-CG 4.22Å; F448-M452 HydrophobicContact CE1-SD 3.84Å; F448-M452 HydrophobicContact CZ-SD 4.3Å; F448-M452 VanDerWaalsContact O-CG 3.3Å; F448-M452 WeakPolarHBondContact O-CG 3.36Å; F448-M452 PolarHBondContact O-N 3.2Å; F448-M452 VanDerWaalsContact O-N 3.13Å
449	T	69.7	Low	64.3	Low	65 Å²	65	85.6 Å²	85.6	40%	0.399	47%	0.472	S	S	.	.	H	α-helix	trans	-59.4	-33.3	173.6	47.4	0	0	0	0	112.2	G445 A446 M452	G445-T449 PolarHBondContact O-N 3.16Å; G445-T449 PolarHBondContact O-OG1 2.99Å; A446-T449 WeakPolarHBondContact CA-OG1 3.42Å; A446-T449 PolarHBondContact O-OG1 2.7Å; T449-M452 PolarHBondContact O-N 3.33Å
450	H	69.9	Low	64	Low	28 Å²	28	84.1 Å²	84.1	13%	0.13	47%	0.47	C	S	.	.	H	α-helix	trans	-73.5	-41.4	177.3	-176.3	48.3	0	0	0	113.3	C434 C437 F441 A446 L447 F448 M452 V453 H454	C434-H450 VanDerWaalsContact SG-CD2 3.56Å; C437-H450 PolarHBondContact SG-NE2 3.16Å; F441-H450 HydrophobicContact CE1-CB 4Å; F441-H450 HydrophobicContact CE2-CB 4.01Å; F441-H450 AromaticContact CE2-CD2 3.24Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.31Å; F441-H450 AromaticContact CE2-CG 3.74Å; F441-H450 HydrophobicContact CZ-CB 3.58Å; F441-H450 AromaticContact CZ-CD2 3.26Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.43Å; F441-H450 AromaticContact CZ-CG 3.31Å; F441-H450 AromaticContact CZ-NE2 3.97Å; A446-H450 WeakPolarHBondContact O-CB 3.49Å; A446-H450 PolarHBondContact O-N 3.3Å; L447-H450 CarbonylContact O-C 3.44Å; L447-H450 PolarHBondContact O-N 3.33Å; L447-H450 VanDerWaalsContact O-N 3.14Å; F448-H450 PolarHBondContact O-N 3.34Å; H450-M452 PolarHBondContact O-N 3.48Å; H450-V453 VanDerWaalsContact O-CB 3.27Å; H450-V453 WeakPolarHBondContact O-CB 3.35Å; H450-V453 WeakPolarHBondContact O-CG2 3.47Å; H450-V453 PolarHBondContact O-N 3.13Å; H450-H454 AromaticContact CD2-NE2 3.76Å; H450-H454 AromaticContact CE1-CE1 3.93Å; H450-H454 AromaticContact CE1-NE2 3.48Å; H450-H454 PolarHBondContact CE1-NE2 3.2Å; H450-H454 AromaticContact NE2-CE1 3.84Å; H450-H454 AromaticContact NE2-NE2 3.08Å; H450-H454 PolarHBondContact NE2-NE2 2.9Å
451	K	65.3	Low	63.5	Low	62 Å²	62	87.3 Å²	87.3	27%	0.27	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-17.3	173.7	-73.5	-171.4	173.3	-171.6	0	113.3	D435 L447 F448 V453 K455	D435-K451 VanDerWaalsContact OD2-CE 3.32Å; D435-K451 WeakPolarHBondContact OD2-CE 3.26Å; D435-K451 IonicContact OD2-NZ 3.31Å; D435-K451 PolarHBondContact OD2-NZ 3.05Å; L447-K451 HydrophobicContact CD1-CG 4.41Å; L447-K451 HydrophobicContact CG-CD 4.28Å; L447-K451 HydrophobicContact CG-CG 4.36Å; L447-K451 PolarHBondContact O-N 3.03Å; F448-K451 PolarHBondContact O-N 2.94Å; K451-V453 VanDerWaalsContact C-N 3.26Å; K451-K455 WeakPolarHBondContact O-CG 3.24Å; K451-K455 PolarHBondContact O-N 3.05Å
452	M	64.4	Low	63.2	Low	64 Å²	64	90.5 Å²	90.5	32%	0.315	50%	0.499	S	S	.	.	H	α-helix	trans	-68.3	-25.8	168.6	-61.8	-139	66.9	0	0	112.7	F448 T449 H450	F448-M452 HydrophobicContact CD1-CG 4.47Å; F448-M452 HydrophobicContact CE1-CG 4.22Å; F448-M452 HydrophobicContact CE1-SD 3.84Å; F448-M452 HydrophobicContact CZ-SD 4.3Å; F448-M452 VanDerWaalsContact O-CG 3.3Å; F448-M452 WeakPolarHBondContact O-CG 3.36Å; F448-M452 PolarHBondContact O-N 3.2Å; F448-M452 VanDerWaalsContact O-N 3.13Å; T449-M452 PolarHBondContact O-N 3.33Å; H450-M452 PolarHBondContact O-N 3.48Å
453	V	61.3	Low	63.7	Low	75 Å²	75	89.4 Å²	89.4	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-72	-43.6	176.1	-172.6	0	0	0	0	111.1	H450 K451 K455 E456	H450-V453 VanDerWaalsContact O-CB 3.27Å; H450-V453 WeakPolarHBondContact O-CB 3.35Å; H450-V453 WeakPolarHBondContact O-CG2 3.47Å; H450-V453 PolarHBondContact O-N 3.13Å; K451-V453 VanDerWaalsContact C-N 3.26Å; V453-K455 PolarHBondContact O-N 2.91Å; V453-E456 WeakPolarHBondContact O-CB 3.31Å; V453-E456 WeakPolarHBondContact O-CG 3.43Å; V453-E456 PolarHBondContact O-N 3.43Å; V453-E456 VanDerWaalsContact O-N 3.15Å
454	H	63.1	Low	63.6	Low	60 Å²	60	91 Å²	91	28%	0.278	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-27.1	177.3	-59.2	-52.7	0	0	0	112.7	C434 E436 C437 H450 E456	C434-H454 PolarHBondContact SG-CD2 3.3Å; C434-H454 PolarHBondContact SG-NE2 2.83Å; C434-H454 VanDerWaalsContact SG-NE2 3.44Å; E436-H454 HydrophobicContact CB-CB 4.19Å; E436-H454 VanDerWaalsContact CD-CB 3.48Å; E436-H454 HydrophobicContact CG-CB 4.34Å; E436-H454 WeakPolarHBondContact OE1-CB 3.45Å; E436-H454 IonicContact OE2-CD2 3.35Å; E436-H454 PolarHBondContact OE2-CD2 3.05Å; E436-H454 IonicContact OE2-CG 2.57Å; C437-H454 PolarHBondContact SG-NE2 3.47Å; C437-H454 VanDerWaalsContact SG-NE2 3.36Å; H450-H454 AromaticContact CD2-NE2 3.76Å; H450-H454 AromaticContact CE1-CE1 3.93Å; H450-H454 AromaticContact CE1-NE2 3.48Å; H450-H454 PolarHBondContact CE1-NE2 3.2Å; H450-H454 AromaticContact NE2-CE1 3.84Å; H450-H454 AromaticContact NE2-NE2 3.08Å; H450-H454 PolarHBondContact NE2-NE2 2.9Å; H454-E456 PolarHBondContact O-N 3.13Å
455	K	58.6	Low	64.1	Low	130 Å²	130	88.6 Å²	88.6	57%	0.565	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-72.3	-0.7	174.1	-76	-170.3	172.5	-167	0	115.3	K451 V453 K457 G458	K451-K455 WeakPolarHBondContact O-CG 3.24Å; K451-K455 PolarHBondContact O-N 3.05Å; V453-K455 PolarHBondContact O-N 2.91Å; K455-K457 PolarHBondContact O-N 3.36Å; K455-K457 VanDerWaalsContact O-N 3.13Å; K455-G458 PolarHBondContact O-N 3.49Å
456	E	57	Low	64.1	Low	144 Å²	144	95.4 Å²	95.4	67%	0.673	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-65.1	-14.1	179.6	-71.4	-174.5	144.1	0	0	114.2	V453 H454 G458	V453-E456 WeakPolarHBondContact O-CB 3.31Å; V453-E456 WeakPolarHBondContact O-CG 3.43Å; V453-E456 PolarHBondContact O-N 3.43Å; V453-E456 VanDerWaalsContact O-N 3.15Å; H454-E456 PolarHBondContact O-N 3.13Å; E456-G458 VanDerWaalsContact C-N 3.26Å; E456-G458 PolarHBondContact O-N 3.32Å
457	K	56.1	Low	63.8	Low	215 Å²	215	100.6 Å²	100.6	94%	0.935	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-77.1	-0.2	169.5	-73.6	-170.4	175	-177	0	115	K455	K455-K457 PolarHBondContact O-N 3.36Å; K455-K457 VanDerWaalsContact O-N 3.13Å
458	G	49.2	Very low	63.9	Low	55 Å²	55	102 Å²	102	57%	0.567	51%	0.51	S	S	*	.	S	Bend	trans	-145.5	63.4	-170.3	0	0	0	0	0	115.6	K455 E456	K455-G458 PolarHBondContact O-N 3.49Å; E456-G458 VanDerWaalsContact C-N 3.26Å; E456-G458 PolarHBondContact O-N 3.32Å
459	A	54.1	Low	64	Low	103 Å²	103	104.7 Å²	104.7	85%	0.851	53%	0.525	S	S	*	.			trans	49.2	70.9	160.4	0	0	0	0	0	117.3
460	N	60	Low	63.9	Low	87 Å²	87	105.8 Å²	105.8	47%	0.465	52%	0.522	S	S	.	.			trans	-90.5	141.7	160.1	-90.3	-53.4	0	0	0	111.3	M462	N460-M462 PolarHBondContact O-N 3.24Å
461	K	57.9	Low	64.2	Low	199 Å²	199	108.5 Å²	108.5	87%	0.865	54%	0.535	S	S	*	.			trans	-76.1	105.5	176.1	-71.9	-177.6	177.7	179.1	0	110.2
462	M	65.9	Low	64.6	Low	111 Å²	111	106 Å²	106	55%	0.547	53%	0.525	S	S	.	.			trans	-67	136.3	177.6	-63.7	171	72.8	0	0	111.2	N460 K464 E471 T472	N460-M462 PolarHBondContact O-N 3.24Å; M462-K464 PolarHBondContact O-N 2.93Å; M462-K464 VanDerWaalsContact O-N 3.16Å; M462-E471 HydrophobicContact CB-CB 4.18Å; M462-E471 HydrophobicContact CE-CB 3.8Å; M462-T472 CarbonylContact C-O 3.6Å
463	H	67.5	Low	65	Low	70 Å²	70	105.9 Å²	105.9	32%	0.324	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	93	175.2	-69.5	-88.8	0	0	0	109.3	T472 Q475 L478	H463-T472 WeakPolarHBondContact CB-O 3.44Å; H463-T472 PolarHBondContact N-O 3.04Å; H463-T472 PolarHBondContact O-N 2.98Å; H463-T472 PolarHBondContact O-OG1 2.95Å; H463-Q475 PolarHBondContact CE1-OE1 3.32Å; H463-Q475 PolarHBondContact ND1-OE1 2.69Å; H463-L478 HydrophobicContact CB-CB 4.22Å; H463-L478 HydrophobicContact CB-CD2 3.9Å
464	K	69.6	Low	65.5	Low	139 Å²	139	106.6 Å²	106.6	60%	0.604	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	144	178.6	70.3	-178.1	179.3	178.2	0	114.3	M462 E471 L478	M462-K464 PolarHBondContact O-N 2.93Å; M462-K464 VanDerWaalsContact O-N 3.16Å; K464-E471 HydrophobicContact CB-CB 4.36Å; K464-E471 HydrophobicContact CB-CG 3.61Å; K464-E471 WeakPolarHBondContact CB-OE1 3.48Å; K464-E471 VanDerWaalsContact CD-OE1 3.3Å; K464-E471 WeakPolarHBondContact CD-OE1 3.49Å; K464-L478 WeakPolarHBondContact O-CD2 3.14Å
465	C	75	Confident	65.8	Low	11 Å²	11	107.6 Å²	107.6	7%	0.074	54%	0.537	C	S	.	.			trans	-68.7	147	173	-172.5	0	0	0	0	111.2	F467 C468 Y470 L478 H481 L482 H486	C465-F467 VanDerWaalsContact C-N 3.32Å; C465-F467 PolarHBondContact SG-N 3.47Å; C465-F467 VanDerWaalsContact SG-N 3.38Å; C465-C468 WeakPolarHBondContact CB-O 3.21Å; C465-Y470 WeakPolarHBondContact CB-O 3.44Å; C465-Y470 PolarHBondContact N-O 3.13Å; C465-L478 HydrophobicContact CB-CD1 3.76Å; C465-H481 PolarHBondContact SG-NE2 2.88Å; C465-L482 VanDerWaalsContact SG-CD2 3.58Å; C465-H486 PolarHBondContact SG-NE2 3.21Å; C465-H486 VanDerWaalsContact SG-NE2 3.39Å
466	K	71.8	Confident	66.5	Low	194 Å²	194	103.7 Å²	103.7	84%	0.843	53%	0.534	S	S	*	.	S	Bend	trans	-84.9	-4.5	174.8	-66.8	-168.9	175.6	-170.8	0	113.7
467	F	65.8	Low	67.4	Low	144 Å²	144	99.2 Å²	99.2	63%	0.632	51%	0.514	S	S	*	.	S	Bend	trans	-133.6	0.2	-167.8	-56.2	-70.9	0	0	0	114	C465 L482 H486	C465-F467 VanDerWaalsContact C-N 3.32Å; C465-F467 PolarHBondContact SG-N 3.47Å; C465-F467 VanDerWaalsContact SG-N 3.38Å; F467-L482 HydrophobicContact CD2-CD2 3.74Å; F467-L482 HydrophobicContact CE2-CD2 4.1Å; F467-H486 VanDerWaalsContact CB-CE1 3.42Å; F467-H486 WeakPolarHBondContact CB-CE1 3.46Å; F467-H486 WeakPolarHBondContact CB-ND1 3.46Å; F467-H486 HydrophobicContact CD2-CB 4.24Å; F467-H486 PolarHBondContact O-CE1 3.19Å
468	C	73.6	Confident	68.2	Low	46 Å²	46	89.4 Å²	89.4	31%	0.311	47%	0.472	S	S	.	.	S	Bend	trans	-166.6	175.3	168.3	67.5	0	0	0	0	109.7	C465 Y470 H481 H486	C465-C468 WeakPolarHBondContact CB-O 3.21Å; C468-Y470 PolarHBondContact O-N 3.3Å; C468-Y470 VanDerWaalsContact SG-CB 3.57Å; C468-H481 PolarHBondContact SG-CE1 2.94Å; C468-H481 PolarHBondContact SG-NE2 3.23Å; C468-H486 PolarHBondContact SG-NE2 2.93Å; C468-H486 VanDerWaalsContact SG-NE2 3.39Å
469	E	69.1	Low	69.2	Low	197 Å²	197	90.5 Å²	90.5	92%	0.921	47%	0.465	S	S	*	.	S	Bend	trans	-77.2	18.9	-177.3	-60.7	172.3	176.5	0	0	114.2	E471	E469-E471 PolarHBondContact O-N 3.33Å
470	Y	68	Low	69.8	Low	88 Å²	88	92.4 Å²	92.4	35%	0.345	45%	0.45	S	S	.	.			trans	-81.5	114.8	179.9	-176.1	-107.6	0	0	0	111.6	C465 C468 T472 H481	C465-Y470 WeakPolarHBondContact CB-O 3.44Å; C465-Y470 PolarHBondContact N-O 3.13Å; C468-Y470 PolarHBondContact O-N 3.3Å; C468-Y470 VanDerWaalsContact SG-CB 3.57Å; Y470-T472 HydrophobicContact CD1-CG2 3.94Å; Y470-T472 HydrophobicContact CE1-CG2 3.17Å; Y470-T472 HydrophobicContact CE2-CG2 4.3Å; Y470-T472 WeakPolarHBondContact OH-CG2 3.32Å; Y470-H481 HydrophobicContact CD1-CB 3.63Å; Y470-H481 AromaticContact CD1-CD2 3.55Å; Y470-H481 AromaticContact CD1-CG 3.21Å; Y470-H481 AromaticContact CD1-ND1 3.44Å; Y470-H481 WeakPolarHBondContact CD1-ND1 3.45Å; Y470-H481 HydrophobicContact CE1-CB 3.44Å; Y470-H481 VanDerWaalsContact CE1-CB 3.44Å; Y470-H481 AromaticContact CE1-CG 3.55Å; Y470-H481 AromaticContact CE1-ND1 3.79Å; Y470-H481 AromaticContact CG-CG 3.98Å; Y470-H481 AromaticContact CG-ND1 3.77Å
471	E	74.2	Confident	70.4	Confident	85 Å²	85	89.8 Å²	89.8	40%	0.397	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.7	177.5	-51.1	-152.8	150.1	0	0	112.1	M462 K464 E469	M462-E471 HydrophobicContact CB-CB 4.18Å; M462-E471 HydrophobicContact CE-CB 3.8Å; K464-E471 HydrophobicContact CB-CB 4.36Å; K464-E471 HydrophobicContact CB-CG 3.61Å; K464-E471 WeakPolarHBondContact CB-OE1 3.48Å; K464-E471 VanDerWaalsContact CD-OE1 3.3Å; K464-E471 WeakPolarHBondContact CD-OE1 3.49Å; E469-E471 PolarHBondContact O-N 3.33Å
472	T	74.5	Confident	71	Confident	9 Å²	9	82.3 Å²	82.3	6%	0.055	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.1	-176.9	57.7	0	0	0	0	113	M462 H463 Y470 E474 L477 L478	M462-T472 CarbonylContact C-O 3.6Å; H463-T472 WeakPolarHBondContact CB-O 3.44Å; H463-T472 PolarHBondContact N-O 3.04Å; H463-T472 PolarHBondContact O-N 2.98Å; H463-T472 PolarHBondContact O-OG1 2.95Å; Y470-T472 HydrophobicContact CD1-CG2 3.94Å; Y470-T472 HydrophobicContact CE1-CG2 3.17Å; Y470-T472 HydrophobicContact CE2-CG2 4.3Å; Y470-T472 WeakPolarHBondContact OH-CG2 3.32Å; T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.47Å; T472-E474 PolarHBondContact OG1-O 2.69Å; T472-L477 HydrophobicContact CG2-CB 3.9Å; T472-L478 PolarHBondContact OG1-N 3.26Å
473	A	72	Confident	71.1	Confident	61 Å²	61	81.1 Å²	81.1	50%	0.504	40%	0.4	S	S	.	.	S	Bend	trans	-71.4	-19.8	171.9	0	0	0	0	0	113.7
474	E	71.8	Confident	71	Confident	90 Å²	90	79.1 Å²	79.1	42%	0.421	40%	0.396	S	S	.	.			trans	-121.6	125	-176.5	-62.1	-173.2	163.5	0	0	112.8	T472 G476 L477 L478	T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.47Å; T472-E474 PolarHBondContact OG1-O 2.69Å; E474-G476 PolarHBondContact O-N 3.45Å; E474-L477 HydrophobicContact CB-CB 4.33Å; E474-L477 HydrophobicContact CB-CD1 3.98Å; E474-L477 HydrophobicContact CB-CG 3.93Å; E474-L477 HydrophobicContact CG-CD1 4.21Å; E474-L477 WeakPolarHBondContact O-CB 3.37Å; E474-L477 PolarHBondContact O-N 2.97Å; E474-L478 PolarHBondContact O-N 3.43Å; E474-L478 VanDerWaalsContact O-N 3.13Å
475	Q	70	Confident	70.6	Confident	81 Å²	81	76.9 Å²	76.9	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-53.8	-26.7	170.5	-173.4	64	61.6	0	0	113.2	H463 N479	H463-Q475 PolarHBondContact CE1-OE1 3.32Å; H463-Q475 PolarHBondContact ND1-OE1 2.69Å; Q475-N479 PolarHBondContact NE2-OD1 3.41Å; Q475-N479 VanDerWaalsContact O-CB 3.28Å; Q475-N479 WeakPolarHBondContact O-CB 3.44Å; Q475-N479 PolarHBondContact O-N 2.95Å; Q475-N479 PolarHBondContact O-ND2 2.95Å; Q475-N479 PolarHBondContact O-OD1 3.17Å
476	G	73.2	Confident	70.1	Confident	49 Å²	49	79.3 Å²	79.3	51%	0.505	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-38.4	173.8	0	0	0	0	0	113.4	E474 R480	E474-G476 PolarHBondContact O-N 3.45Å; G476-R480 WeakPolarHBondContact O-CB 3.27Å; G476-R480 PolarHBondContact O-N 3.31Å
477	L	75.9	Confident	69.6	Low	49 Å²	49	72 Å²	72	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-43.2	175.2	-62.2	173.6	0	0	0	110.8	T472 E474 N479 R480 H481	T472-L477 HydrophobicContact CG2-CB 3.9Å; E474-L477 HydrophobicContact CB-CB 4.33Å; E474-L477 HydrophobicContact CB-CD1 3.98Å; E474-L477 HydrophobicContact CB-CG 3.93Å; E474-L477 HydrophobicContact CG-CD1 4.21Å; E474-L477 WeakPolarHBondContact O-CB 3.37Å; E474-L477 PolarHBondContact O-N 2.97Å; L477-N479 PolarHBondContact O-N 2.87Å; L477-R480 VanDerWaalsContact CD2-NH2 3.3Å; L477-R480 WeakPolarHBondContact O-CB 3.04Å; L477-R480 PolarHBondContact O-N 3.17Å; L477-H481 WeakPolarHBondContact O-CB 3.47Å; L477-H481 PolarHBondContact O-N 3.24Å
478	L	74.3	Confident	69.2	Low	10 Å²	10	74.9 Å²	74.9	5%	0.052	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-45.4	172	174.9	58.4	0	0	0	111.9	H463 K464 C465 T472 E474 R480 H481 L482	H463-L478 HydrophobicContact CB-CB 4.22Å; H463-L478 HydrophobicContact CB-CD2 3.9Å; K464-L478 WeakPolarHBondContact O-CD2 3.14Å; C465-L478 HydrophobicContact CB-CD1 3.76Å; T472-L478 PolarHBondContact OG1-N 3.26Å; E474-L478 PolarHBondContact O-N 3.43Å; E474-L478 VanDerWaalsContact O-N 3.13Å; L478-R480 VanDerWaalsContact C-N 3.3Å; L478-R480 PolarHBondContact O-N 3.06Å; L478-H481 WeakPolarHBondContact O-CB 3.44Å; L478-H481 PolarHBondContact O-N 2.95Å; L478-H481 VanDerWaalsContact O-N 3.11Å; L478-L482 HydrophobicContact CD1-CD1 4.06Å; L478-L482 HydrophobicContact CD1-CD2 4.5Å; L478-L482 HydrophobicContact CD1-CG 3.95Å; L478-L482 HydrophobicContact CG-CD1 3.93Å; L478-L482 HydrophobicContact CG-CG 4.32Å; L478-L482 WeakPolarHBondContact O-CG 3.35Å; L478-L482 PolarHBondContact O-N 2.86Å
479	N	69.4	Low	68.4	Low	78 Å²	78	78.7 Å²	78.7	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-41.1	176.7	-73.3	-8.7	0	0	0	111.3	Q475 L477 H481 L482 L483	Q475-N479 PolarHBondContact NE2-OD1 3.41Å; Q475-N479 VanDerWaalsContact O-CB 3.28Å; Q475-N479 WeakPolarHBondContact O-CB 3.44Å; Q475-N479 PolarHBondContact O-N 2.95Å; Q475-N479 PolarHBondContact O-ND2 2.95Å; Q475-N479 PolarHBondContact O-OD1 3.17Å; L477-N479 PolarHBondContact O-N 2.87Å; N479-H481 VanDerWaalsContact C-N 3.32Å; N479-H481 PolarHBondContact O-N 3.46Å; N479-L482 PolarHBondContact O-N 3.12Å; N479-L483 WeakPolarHBondContact O-CD1 3.37Å; N479-L483 PolarHBondContact O-N 3.44Å
480	R	66.9	Low	68	Low	142 Å²	142	71.9 Å²	71.9	54%	0.536	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-38.2	174.1	-173.1	175.5	70.3	179.3	3.7	111.9	G476 L477 L478 L483 A484	G476-R480 WeakPolarHBondContact O-CB 3.27Å; G476-R480 PolarHBondContact O-N 3.31Å; L477-R480 VanDerWaalsContact CD2-NH2 3.3Å; L477-R480 WeakPolarHBondContact O-CB 3.04Å; L477-R480 PolarHBondContact O-N 3.17Å; L478-R480 VanDerWaalsContact C-N 3.3Å; L478-R480 PolarHBondContact O-N 3.06Å; R480-L483 CarbonylContact O-C 3.31Å; R480-A484 WeakPolarHBondContact O-CB 3.4Å; R480-A484 PolarHBondContact O-N 3.49Å
481	H	72	Confident	67.8	Low	33 Å²	33	71.8 Å²	71.8	15%	0.153	38%	0.384	C	S	.	.	H	α-helix	trans	-68.3	-44	175.8	172.2	80	0	0	0	113.1	C465 C468 Y470 L477 L478 N479 L483 A484 V485 H486	C465-H481 PolarHBondContact SG-NE2 2.88Å; C468-H481 PolarHBondContact SG-CE1 2.94Å; C468-H481 PolarHBondContact SG-NE2 3.23Å; Y470-H481 HydrophobicContact CD1-CB 3.63Å; Y470-H481 AromaticContact CD1-CD2 3.55Å; Y470-H481 AromaticContact CD1-CG 3.21Å; Y470-H481 AromaticContact CD1-ND1 3.44Å; Y470-H481 WeakPolarHBondContact CD1-ND1 3.45Å; Y470-H481 HydrophobicContact CE1-CB 3.44Å; Y470-H481 VanDerWaalsContact CE1-CB 3.44Å; Y470-H481 AromaticContact CE1-CG 3.55Å; Y470-H481 AromaticContact CE1-ND1 3.79Å; Y470-H481 AromaticContact CG-CG 3.98Å; Y470-H481 AromaticContact CG-ND1 3.77Å; L477-H481 WeakPolarHBondContact O-CB 3.47Å; L477-H481 PolarHBondContact O-N 3.24Å; L478-H481 WeakPolarHBondContact O-CB 3.44Å; L478-H481 PolarHBondContact O-N 2.95Å; L478-H481 VanDerWaalsContact O-N 3.11Å; N479-H481 VanDerWaalsContact C-N 3.32Å; N479-H481 PolarHBondContact O-N 3.46Å; H481-L483 VanDerWaalsContact C-N 3.28Å; H481-L483 PolarHBondContact O-N 2.87Å; H481-A484 WeakPolarHBondContact O-CA 3.47Å; H481-A484 WeakPolarHBondContact O-CB 3.41Å; H481-A484 PolarHBondContact O-N 3.39Å; H481-V485 WeakPolarHBondContact CE1-CG2 3.39Å; H481-V485 PolarHBondContact O-N 3.39Å; H481-H486 AromaticContact CD2-CD2 3.91Å; H481-H486 AromaticContact CD2-NE2 3.87Å; H481-H486 AromaticContact NE2-CD2 3.02Å; H481-H486 PolarHBondContact NE2-CD2 2.98Å; H481-H486 AromaticContact NE2-CE1 3.45Å; H481-H486 PolarHBondContact NE2-CE1 3.47Å; H481-H486 AromaticContact NE2-NE2 2.27Å; H481-H486 PolarHBondContact NE2-NE2 2.92Å
482	L	70.5	Confident	67.3	Low	41 Å²	41	70.7 Å²	70.7	22%	0.215	38%	0.379	C	S	.	.	I	π-helix	trans	-59.6	-41	173.8	-69.6	167.6	0	0	0	111	C465 F467 L478 N479 A484 H486 S487	C465-L482 VanDerWaalsContact SG-CD2 3.58Å; F467-L482 HydrophobicContact CD2-CD2 3.74Å; F467-L482 HydrophobicContact CE2-CD2 4.1Å; L478-L482 HydrophobicContact CD1-CD1 4.06Å; L478-L482 HydrophobicContact CD1-CD2 4.5Å; L478-L482 HydrophobicContact CD1-CG 3.95Å; L478-L482 HydrophobicContact CG-CD1 3.93Å; L478-L482 HydrophobicContact CG-CG 4.32Å; L478-L482 WeakPolarHBondContact O-CG 3.35Å; L478-L482 PolarHBondContact O-N 2.86Å; N479-L482 PolarHBondContact O-N 3.12Å; L482-A484 PolarHBondContact O-N 2.64Å; L482-H486 PolarHBondContact O-N 3.13Å; L482-S487 WeakPolarHBondContact O-CB 3.27Å; L482-S487 PolarHBondContact O-N 3.33Å
483	L	67.9	Low	67.1	Low	86 Å²	86	74.6 Å²	74.6	45%	0.45	40%	0.399	S	S	.	.	I	π-helix	trans	-77.4	0.2	170.5	-87.2	73.1	0	0	0	114.4	N479 R480 H481 R502	N479-L483 WeakPolarHBondContact O-CD1 3.37Å; N479-L483 PolarHBondContact O-N 3.44Å; R480-L483 CarbonylContact O-C 3.31Å; H481-L483 VanDerWaalsContact C-N 3.28Å; H481-L483 PolarHBondContact O-N 2.87Å; L483-R502 PolarHBondContact O-NE 3.21Å; L483-R502 VanDerWaalsContact O-NE 3.11Å
484	A	64.9	Low	67	Low	29 Å²	29	71.8 Å²	71.8	24%	0.24	38%	0.375	C	S	.	.	I	π-helix	trans	-104.4	-48.5	-179.8	0	0	0	0	0	113.5	R480 H481 L482 R502	R480-A484 WeakPolarHBondContact O-CB 3.4Å; R480-A484 PolarHBondContact O-N 3.49Å; H481-A484 WeakPolarHBondContact O-CA 3.47Å; H481-A484 WeakPolarHBondContact O-CB 3.41Å; H481-A484 PolarHBondContact O-N 3.39Å; L482-A484 PolarHBondContact O-N 2.64Å; A484-R502 VanDerWaalsContact CA-NH2 3.26Å
485	V	61.7	Low	66.6	Low	91 Å²	91	74.3 Å²	74.3	55%	0.552	40%	0.396	S	S	*	.	I	π-helix	trans	-107.9	-36.1	-167.9	-178.3	0	0	0	0	111.3	H481	H481-V485 WeakPolarHBondContact CE1-CG2 3.39Å; H481-V485 PolarHBondContact O-N 3.39Å
486	H	64	Low	66.3	Low	62 Å²	62	76.2 Å²	76.2	29%	0.287	41%	0.405	S	S	.	.	I	π-helix	trans	-105.7	-31.9	-169.7	-54.6	-68.5	0	0	0	113.7	C465 F467 C468 H481 L482 K488	C465-H486 PolarHBondContact SG-NE2 3.21Å; C465-H486 VanDerWaalsContact SG-NE2 3.39Å; F467-H486 VanDerWaalsContact CB-CE1 3.42Å; F467-H486 WeakPolarHBondContact CB-CE1 3.46Å; F467-H486 WeakPolarHBondContact CB-ND1 3.46Å; F467-H486 HydrophobicContact CD2-CB 4.24Å; F467-H486 PolarHBondContact O-CE1 3.19Å; C468-H486 PolarHBondContact SG-NE2 2.93Å; C468-H486 VanDerWaalsContact SG-NE2 3.39Å; H481-H486 AromaticContact CD2-CD2 3.91Å; H481-H486 AromaticContact CD2-NE2 3.87Å; H481-H486 AromaticContact NE2-CD2 3.02Å; H481-H486 PolarHBondContact NE2-CD2 2.98Å; H481-H486 AromaticContact NE2-CE1 3.45Å; H481-H486 PolarHBondContact NE2-CE1 3.47Å; H481-H486 AromaticContact NE2-NE2 2.27Å; H481-H486 PolarHBondContact NE2-NE2 2.92Å; L482-H486 PolarHBondContact O-N 3.13Å; H486-K488 PolarHBondContact O-N 3.32Å
487	S	62.3	Low	65.9	Low	42 Å²	42	76.6 Å²	76.6	29%	0.294	40%	0.4	S	S	.	.			trans	-84.1	111.7	176.4	-169.7	0	0	0	0	112.2	L482 N489	L482-S487 WeakPolarHBondContact O-CB 3.27Å; L482-S487 PolarHBondContact O-N 3.33Å; S487-N489 PolarHBondContact O-N 3.48Å; S487-N489 PolarHBondContact OG-N 3.22Å
488	K	57.6	Low	65.3	Low	204 Å²	204	77 Å²	77	89%	0.887	42%	0.416	S	S	*	.			trans	-70.5	-9.4	168.3	-67.1	178.2	-179.5	172.9	0	113.2	H486 F490	H486-K488 PolarHBondContact O-N 3.32Å; K488-F490 PolarHBondContact O-N 3.29Å
489	N	56.3	Low	65	Low	125 Å²	125	82.5 Å²	82.5	67%	0.668	44%	0.439	S	S	*	.			trans	-99.5	87.6	-172.3	-163	1.6	0	0	0	111.4	S487	S487-N489 PolarHBondContact O-N 3.48Å; S487-N489 PolarHBondContact OG-N 3.22Å
490	F	61.6	Low	65	Low	55 Å²	55	79.9 Å²	79.9	24%	0.241	43%	0.43	C	S	.	.			trans	-80.1	123.4	175.1	-68.4	-87.4	0	0	0	110.5	K488 H492 I493 G500 R502	K488-F490 PolarHBondContact O-N 3.29Å; F490-H492 PolarHBondContact O-N 3.28Å; F490-I493 HydrophobicContact CB-CG1 4.43Å; F490-I493 WeakPolarHBondContact O-CG1 3.46Å; F490-G500 VanDerWaalsContact CB-CA 3.5Å; F490-R502 HydrophobicContact CD1-CG 4.22Å; F490-R502 HydrophobicContact CE1-CG 4.21Å
491	P	63	Low	65.5	Low	86 Å²	86	74.9 Å²	74.9	56%	0.558	41%	0.413	S	S	*	.	S	Bend	trans	-63.4	-17	-177.3	-24.7	35	0	0	0	115.2
492	H	64.4	Low	65.3	Low	61 Å²	61	77.8 Å²	77.8	28%	0.282	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	88.2	-172.1	-62.1	-40.2	0	0	0	110.6	F490 F501 P504 L507	F490-H492 PolarHBondContact O-N 3.28Å; H492-F501 PolarHBondContact O-N 2.66Å; H492-P504 VanDerWaalsContact CD2-CD 3.45Å; H492-P504 WeakPolarHBondContact CD2-CD 3.39Å; H492-P504 VanDerWaalsContact CD2-N 3.29Å; H492-P504 WeakPolarHBondContact NE2-CD 3.39Å; H492-L507 HydrophobicContact CB-CB 4.16Å; H492-L507 HydrophobicContact CB-CD2 3.84Å
493	I	69	Low	65.6	Low	92 Å²	92	80.6 Å²	80.6	47%	0.472	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.8	-179.1	-54.3	177.4	0	0	0	110.3	F490 V495 K499	F490-I493 HydrophobicContact CB-CG1 4.43Å; F490-I493 WeakPolarHBondContact O-CG1 3.46Å; I493-V495 PolarHBondContact O-N 2.84Å; I493-K499 WeakPolarHBondContact CA-O 3.41Å
494	C	70	Confident	65.8	Low	1 Å²	1	80.1 Å²	80.1	1%	0.007	44%	0.436	C	S	.	.			trans	-72.9	117.7	169.1	175.5	0	0	0	0	110.6	E496 C497 G498 K499 F501 L507 H510 M511 H514	C494-E496 VanDerWaalsContact C-N 3.26Å; C494-E496 PolarHBondContact O-N 2.85Å; C494-C497 VanDerWaalsContact SG-SG 3.67Å; C494-G498 VanDerWaalsContact O-CA 3.32Å; C494-G498 WeakPolarHBondContact O-CA 3.01Å; C494-G498 PolarHBondContact O-N 2.96Å; C494-K499 HydrophobicContact CB-CB 4.48Å; C494-K499 PolarHBondContact N-O 3.12Å; C494-F501 HydrophobicContact CB-CE2 4.14Å; C494-L507 HydrophobicContact CB-CD1 3.76Å; C494-H510 PolarHBondContact SG-NE2 3.43Å; C494-H510 VanDerWaalsContact SG-NE2 3.43Å; C494-M511 HydrophobicContact CB-SD 4.27Å; C494-H514 PolarHBondContact SG-NE2 2.68Å
495	V	64.4	Low	66.3	Low	144 Å²	144	82.2 Å²	82.2	87%	0.873	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.7	-179.6	-175.8	0	0	0	0	112.1	I493	I493-V495 PolarHBondContact O-N 2.84Å
496	E	63.8	Low	67	Low	121 Å²	121	81.2 Å²	81.2	57%	0.565	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.4	-172.8	-65.7	178.7	-120.2	0	0	114.5	C494 M511 H514	C494-E496 VanDerWaalsContact C-N 3.26Å; C494-E496 PolarHBondContact O-N 2.85Å; E496-M511 HydrophobicContact CG-CE 4.36Å; E496-M511 WeakPolarHBondContact OE1-CE 3.3Å; E496-H514 WeakPolarHBondContact OE2-CB 3.39Å; E496-H514 IonicContact OE2-CG 3.68Å
497	C	64.4	Low	67.7	Low	57 Å²	57	79.8 Å²	79.8	39%	0.385	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	10.1	178.6	77.8	0	0	0	0	116	C494 K499 H510	C494-C497 VanDerWaalsContact SG-SG 3.67Å; C497-K499 PolarHBondContact O-N 2.84Å; C497-K499 VanDerWaalsContact O-N 3.08Å; C497-H510 PolarHBondContact SG-NE2 2.99Å
498	G	62.2	Low	68.3	Low	58 Å²	58	85.2 Å²	85.2	60%	0.598	45%	0.451	S	S	*	.			trans	69.3	2	174.6	0	0	0	0	0	116	C494 G500	C494-G498 VanDerWaalsContact O-CA 3.32Å; C494-G498 WeakPolarHBondContact O-CA 3.01Å; C494-G498 PolarHBondContact O-N 2.96Å; G498-G500 PolarHBondContact O-N 3.16Å
499	K	68.9	Low	69.2	Low	124 Å²	124	80 Å²	80	54%	0.539	43%	0.429	S	S	.	.			trans	-69.8	124.9	179.5	-74	-176.3	179.7	-173.4	0	111.5	I493 C494 C497 F501	I493-K499 WeakPolarHBondContact CA-O 3.41Å; C494-K499 HydrophobicContact CB-CB 4.48Å; C494-K499 PolarHBondContact N-O 3.12Å; C497-K499 PolarHBondContact O-N 2.84Å; C497-K499 VanDerWaalsContact O-N 3.08Å; K499-F501 HydrophobicContact CB-CE2 3.65Å; K499-F501 HydrophobicContact CB-CZ 3.84Å; K499-F501 HydrophobicContact CD-CZ 4.42Å; K499-F501 WeakPolarHBondContact O-CD2 3.4Å; K499-F501 VanDerWaalsContact O-CE2 3.25Å; K499-F501 WeakPolarHBondContact O-CE2 3.45Å
500	G	69.4	Low	70.3	Confident	23 Å²	23	74.9 Å²	74.9	24%	0.237	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141.5	171.5	0	0	0	0	0	112.7	F490 G498	F490-G500 VanDerWaalsContact CB-CA 3.5Å; G498-G500 PolarHBondContact O-N 3.16Å
501	F	76.1	Confident	70.8	Confident	38 Å²	38	74.6 Å²	74.6	17%	0.167	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.1	176.5	-62	-85.9	0	0	0	110.3	H492 C494 K499 E506 L507 H510	H492-F501 PolarHBondContact O-N 2.66Å; C494-F501 HydrophobicContact CB-CE2 4.14Å; K499-F501 HydrophobicContact CB-CE2 3.65Å; K499-F501 HydrophobicContact CB-CZ 3.84Å; K499-F501 HydrophobicContact CD-CZ 4.42Å; K499-F501 WeakPolarHBondContact O-CD2 3.4Å; K499-F501 VanDerWaalsContact O-CE2 3.25Å; K499-F501 WeakPolarHBondContact O-CE2 3.45Å; F501-E506 HydrophobicContact CB-CB 4.04Å; F501-E506 HydrophobicContact CD1-CB 3.82Å; F501-E506 HydrophobicContact CG-CB 4.24Å; F501-L507 HydrophobicContact CB-CB 4.16Å; F501-L507 HydrophobicContact CD2-CB 4Å; F501-L507 HydrophobicContact CD2-CD1 3.81Å; F501-L507 HydrophobicContact CD2-CG 4.5Å; F501-L507 HydrophobicContact CE2-CD1 4.1Å; F501-L507 HydrophobicContact CG-CB 4.2Å; F501-H510 HydrophobicContact CE1-CB 3.87Å; F501-H510 HydrophobicContact CE2-CB 3.91Å; F501-H510 AromaticContact CE2-CD2 3.34Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.47Å; F501-H510 AromaticContact CE2-CG 3.63Å; F501-H510 HydrophobicContact CZ-CB 3.45Å; F501-H510 VanDerWaalsContact CZ-CB 3.45Å; F501-H510 AromaticContact CZ-CD2 3.39Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.41Å; F501-H510 AromaticContact CZ-CG 3.19Å; F501-H510 AromaticContact CZ-ND1 3.77Å
502	R	69.6	Low	71.4	Confident	94 Å²	94	72.3 Å²	72.3	36%	0.355	38%	0.381	S	S	.	.	S	Bend	trans	-87.7	-30.1	-178.6	-61.1	-171.6	-163.4	113.1	17.1	111.5	L483 A484 F490 E506	L483-R502 PolarHBondContact O-NE 3.21Å; L483-R502 VanDerWaalsContact O-NE 3.11Å; A484-R502 VanDerWaalsContact CA-NH2 3.26Å; F490-R502 HydrophobicContact CD1-CG 4.22Å; F490-R502 HydrophobicContact CE1-CG 4.21Å; R502-E506 PolarHBondContact N-OE2 3.06Å
503	H	75.1	Confident	71.7	Confident	99 Å²	99	75.2 Å²	75.2	46%	0.458	40%	0.397	S	S	.	.	S	Bend	trans	-120.4	144.8	178.1	-60	-55.3	0	0	0	112.6	S505 E506 L507	H503-S505 WeakPolarHBondContact CB-OG 3.43Å; H503-S505 PolarHBondContact O-N 3.48Å; H503-E506 HydrophobicContact CB-CG 4.05Å; H503-E506 IonicContact CD2-OE1 2.74Å; H503-E506 PolarHBondContact CD2-OE1 2.84Å; H503-E506 PolarHBondContact N-OE2 3.12Å; H503-E506 WeakPolarHBondContact O-CB 3.25Å; H503-E506 PolarHBondContact O-N 3.14Å; H503-L507 PolarHBondContact O-N 2.82Å; H503-L507 VanDerWaalsContact O-N 3.17Å
504	P	72.5	Confident	71.7	Confident	77 Å²	77	73.9 Å²	73.9	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-70.2	-18.5	-179.6	29.2	-33.2	0	0	0	111.9	H492 K508	H492-P504 VanDerWaalsContact CD2-CD 3.45Å; H492-P504 WeakPolarHBondContact CD2-CD 3.39Å; H492-P504 VanDerWaalsContact CD2-N 3.29Å; H492-P504 WeakPolarHBondContact NE2-CD 3.39Å; P504-K508 VanDerWaalsContact O-CB 3.26Å; P504-K508 WeakPolarHBondContact O-CB 3.17Å; P504-K508 PolarHBondContact O-N 3.13Å
505	S	76.6	Confident	71.5	Confident	72 Å²	72	77.4 Å²	77.4	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-43.5	167.8	45.3	0	0	0	0	112.2	H503 K508 K509	H503-S505 WeakPolarHBondContact CB-OG 3.43Å; H503-S505 PolarHBondContact O-N 3.48Å; S505-K508 PolarHBondContact O-N 3.4Å; S505-K509 WeakPolarHBondContact O-CG 3.44Å; S505-K509 PolarHBondContact O-N 3.43Å
506	E	76.1	Confident	71.6	Confident	71 Å²	71	73 Å²	73	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-46.5	176.9	-61.5	164.1	165.5	0	0	110.8	F501 R502 H503 K508 K509 H510	F501-E506 HydrophobicContact CB-CB 4.04Å; F501-E506 HydrophobicContact CD1-CB 3.82Å; F501-E506 HydrophobicContact CG-CB 4.24Å; R502-E506 PolarHBondContact N-OE2 3.06Å; H503-E506 HydrophobicContact CB-CG 4.05Å; H503-E506 IonicContact CD2-OE1 2.74Å; H503-E506 PolarHBondContact CD2-OE1 2.84Å; H503-E506 PolarHBondContact N-OE2 3.12Å; H503-E506 WeakPolarHBondContact O-CB 3.25Å; H503-E506 PolarHBondContact O-N 3.14Å; E506-K508 VanDerWaalsContact C-N 3.31Å; E506-K508 PolarHBondContact O-N 3.17Å; E506-K509 WeakPolarHBondContact O-CB 3.36Å; E506-K509 PolarHBondContact O-N 2.87Å; E506-H510 WeakPolarHBondContact O-CB 3.32Å; E506-H510 PolarHBondContact O-N 2.97Å
507	L	77.4	Confident	71.7	Confident	32 Å²	32	72.9 Å²	72.9	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-46.3	172.2	174.5	58.6	0	0	0	110.6	H492 C494 F501 H503 K509 H510 M511	H492-L507 HydrophobicContact CB-CB 4.16Å; H492-L507 HydrophobicContact CB-CD2 3.84Å; C494-L507 HydrophobicContact CB-CD1 3.76Å; F501-L507 HydrophobicContact CB-CB 4.16Å; F501-L507 HydrophobicContact CD2-CB 4Å; F501-L507 HydrophobicContact CD2-CD1 3.81Å; F501-L507 HydrophobicContact CD2-CG 4.5Å; F501-L507 HydrophobicContact CE2-CD1 4.1Å; F501-L507 HydrophobicContact CG-CB 4.2Å; H503-L507 PolarHBondContact O-N 2.82Å; H503-L507 VanDerWaalsContact O-N 3.17Å; L507-K509 PolarHBondContact O-N 2.86Å; L507-H510 WeakPolarHBondContact O-CB 3.47Å; L507-H510 PolarHBondContact O-N 3.06Å; L507-H510 VanDerWaalsContact O-N 3.12Å; L507-M511 HydrophobicContact CD1-CG 4.13Å; L507-M511 HydrophobicContact CD1-SD 3.91Å; L507-M511 HydrophobicContact CG-CG 4.44Å; L507-M511 WeakPolarHBondContact O-CG 3.39Å; L507-M511 PolarHBondContact O-N 3.25Å
508	K	75.3	Confident	72	Confident	155 Å²	155	75.4 Å²	75.4	67%	0.674	40%	0.398	S	S	*	.	H	α-helix	trans	-64.3	-36.6	178.7	-172.8	174	-179.2	-178.8	0	113	P504 S505 E506	P504-K508 VanDerWaalsContact O-CB 3.26Å; P504-K508 WeakPolarHBondContact O-CB 3.17Å; P504-K508 PolarHBondContact O-N 3.13Å; S505-K508 PolarHBondContact O-N 3.4Å; E506-K508 VanDerWaalsContact C-N 3.31Å; E506-K508 PolarHBondContact O-N 3.17Å
509	K	77.1	Confident	72.5	Confident	96 Å²	96	75.9 Å²	75.9	42%	0.417	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-47.8	169.8	-72.6	-175.1	174.7	-157.2	0	110.5	S505 E506 L507 M511 R512 D531	S505-K509 WeakPolarHBondContact O-CG 3.44Å; S505-K509 PolarHBondContact O-N 3.43Å; E506-K509 WeakPolarHBondContact O-CB 3.36Å; E506-K509 PolarHBondContact O-N 2.87Å; L507-K509 PolarHBondContact O-N 2.86Å; K509-M511 PolarHBondContact O-N 3.07Å; K509-R512 WeakPolarHBondContact O-CB 3.34Å; K509-R512 PolarHBondContact O-N 2.85Å; K509-D531 VanDerWaalsContact CD-OD2 3.3Å; K509-D531 WeakPolarHBondContact CD-OD2 3.34Å; K509-D531 WeakPolarHBondContact CE-OD2 3.28Å; K509-D531 WeakPolarHBondContact CG-OD1 3.46Å; K509-D531 IonicContact NZ-OD2 3.88Å; K509-D531 PolarHBondContact NZ-OD2 3.48Å
510	H	78.4	Confident	72.7	Confident	17 Å²	17	73.5 Å²	73.5	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-37.3	-178.1	174	62.8	0	0	0	113.5	C494 C497 F501 E506 L507 R512 I513 H514	C494-H510 PolarHBondContact SG-NE2 3.43Å; C494-H510 VanDerWaalsContact SG-NE2 3.43Å; C497-H510 PolarHBondContact SG-NE2 2.99Å; F501-H510 HydrophobicContact CE1-CB 3.87Å; F501-H510 HydrophobicContact CE2-CB 3.91Å; F501-H510 AromaticContact CE2-CD2 3.34Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.47Å; F501-H510 AromaticContact CE2-CG 3.63Å; F501-H510 HydrophobicContact CZ-CB 3.45Å; F501-H510 VanDerWaalsContact CZ-CB 3.45Å; F501-H510 AromaticContact CZ-CD2 3.39Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.41Å; F501-H510 AromaticContact CZ-CG 3.19Å; F501-H510 AromaticContact CZ-ND1 3.77Å; E506-H510 WeakPolarHBondContact O-CB 3.32Å; E506-H510 PolarHBondContact O-N 2.97Å; L507-H510 WeakPolarHBondContact O-CB 3.47Å; L507-H510 PolarHBondContact O-N 3.06Å; L507-H510 VanDerWaalsContact O-N 3.12Å; H510-R512 PolarHBondContact O-N 3.22Å; H510-R512 VanDerWaalsContact O-N 3.16Å; H510-I513 VanDerWaalsContact O-CB 3.27Å; H510-I513 WeakPolarHBondContact O-CB 3.25Å; H510-I513 WeakPolarHBondContact O-CG1 3.36Å; H510-I513 PolarHBondContact O-N 2.92Å; H510-H514 AromaticContact CD2-NE2 3.8Å; H510-H514 AromaticContact CE1-CE1 3.9Å; H510-H514 AromaticContact CE1-NE2 3.43Å; H510-H514 PolarHBondContact CE1-NE2 2.81Å; H510-H514 AromaticContact NE2-CD2 3.93Å; H510-H514 AromaticContact NE2-CE1 3.8Å; H510-H514 AromaticContact NE2-NE2 2.97Å; H510-H514 PolarHBondContact NE2-NE2 3.14Å
511	M	72.6	Confident	72.9	Confident	49 Å²	49	76.8 Å²	76.8	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-26.4	176.3	-66.3	-49.4	-60.7	0	0	113	C494 E496 L507 K509 I513 H514 T515	C494-M511 HydrophobicContact CB-SD 4.27Å; E496-M511 HydrophobicContact CG-CE 4.36Å; E496-M511 WeakPolarHBondContact OE1-CE 3.3Å; L507-M511 HydrophobicContact CD1-CG 4.13Å; L507-M511 HydrophobicContact CD1-SD 3.91Å; L507-M511 HydrophobicContact CG-CG 4.44Å; L507-M511 WeakPolarHBondContact O-CG 3.39Å; L507-M511 PolarHBondContact O-N 3.25Å; K509-M511 PolarHBondContact O-N 3.07Å; M511-I513 PolarHBondContact O-N 3.16Å; M511-H514 PolarHBondContact O-N 2.91Å; M511-H514 VanDerWaalsContact O-N 3.09Å; M511-T515 PolarHBondContact O-N 3.35Å; M511-T515 PolarHBondContact O-OG1 3.45Å
512	R	76.5	Confident	72.7	Confident	38 Å²	38	75.4 Å²	75.4	14%	0.143	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-14.3	174.2	-62.9	-169.6	-78.6	-150.5	5.9	113.9	K509 H510 G516 Y520 A530 D531	K509-R512 WeakPolarHBondContact O-CB 3.34Å; K509-R512 PolarHBondContact O-N 2.85Å; H510-R512 PolarHBondContact O-N 3.22Å; H510-R512 VanDerWaalsContact O-N 3.16Å; R512-G516 PolarHBondContact O-N 2.59Å; R512-Y520 PolarHBondContact NH1-OH 3.32Å; R512-A530 HydrophobicContact CB-CB 4.27Å; R512-A530 PolarHBondContact NE-O 3.06Å; R512-A530 PolarHBondContact NH2-O 3.21Å; R512-D531 IonicContact CZ-OD1 3.65Å; R512-D531 IonicContact NH2-OD1 2.69Å; R512-D531 PolarHBondContact NH2-OD1 3.32Å
513	I	70.2	Confident	72.5	Confident	121 Å²	121	79.2 Å²	79.2	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-75	-36.7	172.1	-55	-178.9	0	0	0	110.5	H510 M511	H510-I513 VanDerWaalsContact O-CB 3.27Å; H510-I513 WeakPolarHBondContact O-CB 3.25Å; H510-I513 WeakPolarHBondContact O-CG1 3.36Å; H510-I513 PolarHBondContact O-N 2.92Å; M511-I513 PolarHBondContact O-N 3.16Å
514	H	69	Low	71.7	Confident	64 Å²	64	81 Å²	81	30%	0.296	41%	0.408	S	S	.	.	H	α-helix	trans	-83.6	-42.1	-179.8	-52.9	-55.7	0	0	0	112.3	C494 E496 H510 M511 G516	C494-H514 PolarHBondContact SG-NE2 2.68Å; E496-H514 WeakPolarHBondContact OE2-CB 3.39Å; E496-H514 IonicContact OE2-CG 3.68Å; H510-H514 AromaticContact CD2-NE2 3.8Å; H510-H514 AromaticContact CE1-CE1 3.9Å; H510-H514 AromaticContact CE1-NE2 3.43Å; H510-H514 PolarHBondContact CE1-NE2 2.81Å; H510-H514 AromaticContact NE2-CD2 3.93Å; H510-H514 AromaticContact NE2-CE1 3.8Å; H510-H514 AromaticContact NE2-NE2 2.97Å; H510-H514 PolarHBondContact NE2-NE2 3.14Å; M511-H514 PolarHBondContact O-N 2.91Å; M511-H514 VanDerWaalsContact O-N 3.09Å; H514-G516 PolarHBondContact O-N 3.11Å
515	T	65.3	Low	71.4	Confident	76 Å²	76	79.8 Å²	79.8	47%	0.466	40%	0.401	S	S	.	.	S	Bend	trans	-73.6	-10.9	177.1	62.9	0	0	0	0	113.5	M511 E517	M511-T515 PolarHBondContact O-N 3.35Å; M511-T515 PolarHBondContact O-OG1 3.45Å; T515-E517 PolarHBondContact O-N 3.01Å
516	G	66.6	Low	71.1	Confident	51 Å²	51	85.3 Å²	85.3	53%	0.526	42%	0.418	S	S	.	.			trans	66.7	-1.2	-175.5	0	0	0	0	0	114.8	R512 H514 K518	R512-G516 PolarHBondContact O-N 2.59Å; H514-G516 PolarHBondContact O-N 3.11Å; G516-K518 PolarHBondContact O-N 3.24Å; G516-K518 VanDerWaalsContact O-N 3.14Å
517	E	65.7	Low	70.7	Confident	119 Å²	119	86.6 Å²	86.6	56%	0.556	42%	0.421	S	S	*	.			trans	-61.4	115.3	-177.3	-73.1	-178	176.5	0	0	111.1	T515 P519	T515-E517 PolarHBondContact O-N 3.01Å; E517-P519 WeakPolarHBondContact O-CD 3.46Å
518	K	71.4	Confident	70.6	Confident	110 Å²	110	89.8 Å²	89.8	48%	0.478	43%	0.431	S	S	.	.			trans	-109.9	89.1	171.6	-69.5	168	160.2	-153.5	0	109.1	G516 Y520 R528 S529	G516-K518 PolarHBondContact O-N 3.24Å; G516-K518 VanDerWaalsContact O-N 3.14Å; K518-Y520 VanDerWaalsContact C-N 3.33Å; K518-R528 HydrophobicContact CB-CB 3.79Å; K518-R528 HydrophobicContact CD-CB 3.99Å; K518-R528 VanDerWaalsContact CD-O 3.31Å; K518-R528 WeakPolarHBondContact CD-O 3.43Å; K518-R528 WeakPolarHBondContact CE-O 3.32Å; K518-R528 PolarHBondContact NZ-O 2.98Å; K518-R528 VanDerWaalsContact NZ-O 3.13Å; K518-R528 PolarHBondContact O-NE 3.19Å; K518-R528 PolarHBondContact O-NH2 3.39Å; K518-R528 VanDerWaalsContact O-NH2 3.11Å; K518-S529 CarbonylContact C-O 3.52Å; K518-S529 WeakPolarHBondContact CA-O 3.26Å
519	P	72.7	Confident	70.6	Confident	67 Å²	67	82.7 Å²	82.7	44%	0.435	40%	0.401	S	S	.	.			trans	-84.1	-9.8	-171	-7.6	28.1	0	0	0	112.9	E517	E517-P519 WeakPolarHBondContact O-CD 3.46Å
520	Y	72.5	Confident	70.5	Confident	75 Å²	75	79.7 Å²	79.7	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	97.3	-177.5	-53	-69.6	0	0	0	109	R512 K518 S529 A530 D531 S532	R512-Y520 PolarHBondContact NH1-OH 3.32Å; K518-Y520 VanDerWaalsContact C-N 3.33Å; Y520-S529 PolarHBondContact N-O 3.35Å; Y520-S529 PolarHBondContact O-N 2.84Å; Y520-S529 PolarHBondContact O-OG 2.83Å; Y520-A530 WeakPolarHBondContact CD2-O 3.22Å; Y520-A530 VanDerWaalsContact CE2-O 3.31Å; Y520-A530 WeakPolarHBondContact CE2-O 3.29Å; Y520-D531 VanDerWaalsContact CD2-C 3.45Å; Y520-S532 VanDerWaalsContact CD2-N 3.35Å
521	E	74.3	Confident	70.4	Confident	92 Å²	92	79.9 Å²	79.9	43%	0.43	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	143.5	179.1	-179.6	152.2	-122.7	0	0	110.4	R528 L535	E521-R528 HydrophobicContact CB-CG 4.17Å; E521-R528 HydrophobicContact CG-CG 4Å; E521-R528 VanDerWaalsContact OE1-CD 3.23Å; E521-R528 WeakPolarHBondContact OE1-CD 3.41Å; E521-R528 WeakPolarHBondContact OE1-CG 3.29Å; E521-R528 IonicContact OE1-CZ 3.39Å; E521-R528 IonicContact OE1-NE 3.07Å; E521-R528 IonicContact OE1-NH1 3.81Å; E521-R528 PolarHBondContact OE1-NH1 2.84Å; E521-R528 IonicContact OE2-CZ 2.84Å; E521-R528 VanDerWaalsContact OE2-CZ 3.31Å; E521-R528 IonicContact OE2-NH1 3.03Å; E521-R528 PolarHBondContact OE2-NH1 3.34Å; E521-R528 IonicContact OE2-NH2 3.86Å; E521-L535 WeakPolarHBondContact O-CD2 3.45Å
522	C	71.9	Confident	70.5	Confident	8 Å²	8	80.5 Å²	80.5	5%	0.054	41%	0.405	C	S	.	.			trans	-77.4	136.1	174.7	-170.7	0	0	0	0	110.4	Y524 C525 Y527 L535 H538 H543	C522-Y524 PolarHBondContact O-N 2.89Å; C522-Y524 PolarHBondContact SG-N 3.05Å; C522-C525 WeakPolarHBondContact CB-O 3.26Å; C522-C525 VanDerWaalsContact O-O 3.05Å; C522-Y527 PolarHBondContact N-O 2.91Å; C522-L535 HydrophobicContact CB-CD1 3.91Å; C522-H538 WeakPolarHBondContact CB-NE2 3.35Å; C522-H538 PolarHBondContact SG-NE2 3.4Å; C522-H543 PolarHBondContact SG-CD2 3.19Å
523	Q	65.6	Low	70.5	Confident	175 Å²	175	82.1 Å²	82.1	82%	0.818	42%	0.421	S	S	*	.	S	Bend	trans	-76.2	-2.8	176.3	-63.2	-179.8	5.9	0	0	113
524	Y	58.8	Low	70.9	Confident	135 Å²	135	79.8 Å²	79.8	53%	0.529	41%	0.41	S	S	.	.	S	Bend	trans	-126	-6.7	-171.6	-53.7	-65.8	0	0	0	114.1	C522 V539 H543	C522-Y524 PolarHBondContact O-N 2.89Å; C522-Y524 PolarHBondContact SG-N 3.05Å; Y524-V539 HydrophobicContact CE2-CG1 4.47Å; Y524-H543 VanDerWaalsContact CB-ND1 3.34Å; Y524-H543 WeakPolarHBondContact CB-ND1 3.25Å; Y524-H543 HydrophobicContact CD2-CB 3.51Å; Y524-H543 AromaticContact CD2-CG 3.91Å; Y524-H543 HydrophobicContact CE2-CB 4.24Å; Y524-H543 HydrophobicContact CG-CB 3.99Å
525	C	65.6	Low	71.3	Confident	52 Å²	52	78.2 Å²	78.2	35%	0.351	40%	0.404	S	S	.	.	S	Bend	trans	-162.8	170.5	168	72	0	0	0	0	111	C522 Y527 H543	C522-C525 WeakPolarHBondContact CB-O 3.26Å; C522-C525 VanDerWaalsContact O-O 3.05Å; C525-Y527 PolarHBondContact O-N 2.78Å; C525-Y527 WeakPolarHBondContact SG-CB 3.25Å; C525-H543 PolarHBondContact SG-NE2 3.39Å
526	E	70.4	Confident	71.7	Confident	188 Å²	188	82.4 Å²	82.4	88%	0.879	42%	0.416	S	S	*	.	S	Bend	trans	-67.8	11.1	179.8	-56.8	176.4	171.5	0	0	114.8	R528	E526-R528 PolarHBondContact O-N 2.97Å
527	Y	66.6	Low	72.1	Confident	98 Å²	98	84 Å²	84	38%	0.384	42%	0.416	S	S	.	.			trans	-71.8	118.3	178.7	-178.2	-96.3	0	0	0	111.5	C522 C525 L535 H538	C522-Y527 PolarHBondContact N-O 2.91Å; C525-Y527 PolarHBondContact O-N 2.78Å; C525-Y527 WeakPolarHBondContact SG-CB 3.25Å; Y527-L535 HydrophobicContact CD1-CD1 4.45Å; Y527-H538 VanDerWaalsContact CB-CE1 3.48Å; Y527-H538 WeakPolarHBondContact CB-CE1 3.24Å; Y527-H538 HydrophobicContact CD1-CB 4.01Å; Y527-H538 AromaticContact CD1-CD2 3.44Å; Y527-H538 VanDerWaalsContact CD1-CD2 3.44Å; Y527-H538 WeakPolarHBondContact CD1-CD2 3.23Å; Y527-H538 AromaticContact CD1-CE1 3.72Å; Y527-H538 AromaticContact CD1-CG 3.37Å; Y527-H538 AromaticContact CD1-ND1 3.56Å; Y527-H538 AromaticContact CD1-NE2 3.66Å; Y527-H538 HydrophobicContact CE1-CB 3.75Å; Y527-H538 AromaticContact CE1-CG 3.64Å; Y527-H538 AromaticContact CE1-ND1 3.96Å; Y527-H538 AromaticContact CG-CE1 3.57Å; Y527-H538 AromaticContact CG-ND1 3.69Å; Y527-H538 AromaticContact CG-NE2 3.81Å
528	R	75.4	Confident	72.7	Confident	100 Å²	100	79.5 Å²	79.5	38%	0.377	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.3	177	-55.9	-178	69.9	112.6	9.5	111.2	K518 E521 E526	K518-R528 HydrophobicContact CB-CB 3.79Å; K518-R528 HydrophobicContact CD-CB 3.99Å; K518-R528 VanDerWaalsContact CD-O 3.31Å; K518-R528 WeakPolarHBondContact CD-O 3.43Å; K518-R528 WeakPolarHBondContact CE-O 3.32Å; K518-R528 PolarHBondContact NZ-O 2.98Å; K518-R528 VanDerWaalsContact NZ-O 3.13Å; K518-R528 PolarHBondContact O-NE 3.19Å; K518-R528 PolarHBondContact O-NH2 3.39Å; K518-R528 VanDerWaalsContact O-NH2 3.11Å; E521-R528 HydrophobicContact CB-CG 4.17Å; E521-R528 HydrophobicContact CG-CG 4Å; E521-R528 VanDerWaalsContact OE1-CD 3.23Å; E521-R528 WeakPolarHBondContact OE1-CD 3.41Å; E521-R528 WeakPolarHBondContact OE1-CG 3.29Å; E521-R528 IonicContact OE1-CZ 3.39Å; E521-R528 IonicContact OE1-NE 3.07Å; E521-R528 IonicContact OE1-NH1 3.81Å; E521-R528 PolarHBondContact OE1-NH1 2.84Å; E521-R528 IonicContact OE2-CZ 2.84Å; E521-R528 VanDerWaalsContact OE2-CZ 3.31Å; E521-R528 IonicContact OE2-NH1 3.03Å; E521-R528 PolarHBondContact OE2-NH1 3.34Å; E521-R528 IonicContact OE2-NH2 3.86Å; E526-R528 PolarHBondContact O-N 2.97Å
529	S	75.8	Confident	72.7	Confident	6 Å²	6	76.3 Å²	76.3	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.6	179.6	73.8	0	0	0	0	112.8	K518 Y520 D531 L535	K518-S529 CarbonylContact C-O 3.52Å; K518-S529 WeakPolarHBondContact CA-O 3.26Å; Y520-S529 PolarHBondContact N-O 3.35Å; Y520-S529 PolarHBondContact O-N 2.84Å; Y520-S529 PolarHBondContact O-OG 2.83Å; S529-D531 PolarHBondContact OG-O 3.08Å; S529-L535 PolarHBondContact OG-N 3.37Å
530	A	74.6	Confident	72.5	Confident	32 Å²	32	78.6 Å²	78.6	26%	0.264	39%	0.387	S	S	.	.	S	Bend	trans	-79.2	-20.2	176	0	0	0	0	0	112.6	R512 Y520	R512-A530 HydrophobicContact CB-CB 4.27Å; R512-A530 PolarHBondContact NE-O 3.06Å; R512-A530 PolarHBondContact NH2-O 3.21Å; Y520-A530 WeakPolarHBondContact CD2-O 3.22Å; Y520-A530 VanDerWaalsContact CE2-O 3.31Å; Y520-A530 WeakPolarHBondContact CE2-O 3.29Å
531	D	76.8	Confident	72.2	Confident	21 Å²	21	78.6 Å²	78.6	11%	0.112	40%	0.395	C	S	.	.	S	Bend	trans	-133.1	133.7	-169.8	-114.7	48.1	0	0	0	112.7	K509 R512 Y520 S529 S533 N534 L535	K509-D531 VanDerWaalsContact CD-OD2 3.3Å; K509-D531 WeakPolarHBondContact CD-OD2 3.34Å; K509-D531 WeakPolarHBondContact CE-OD2 3.28Å; K509-D531 WeakPolarHBondContact CG-OD1 3.46Å; K509-D531 IonicContact NZ-OD2 3.88Å; K509-D531 PolarHBondContact NZ-OD2 3.48Å; R512-D531 IonicContact CZ-OD1 3.65Å; R512-D531 IonicContact NH2-OD1 2.69Å; R512-D531 PolarHBondContact NH2-OD1 3.32Å; Y520-D531 VanDerWaalsContact CD2-C 3.45Å; S529-D531 PolarHBondContact OG-O 3.08Å; D531-S533 VanDerWaalsContact C-N 3.31Å; D531-S533 PolarHBondContact O-N 2.97Å; D531-N534 PolarHBondContact O-N 2.89Å; D531-L535 PolarHBondContact O-N 3.31Å
532	S	74.9	Confident	71.6	Confident	63 Å²	63	79.7 Å²	79.7	44%	0.441	40%	0.398	S	S	.	.	H	α-helix	trans	-66.1	-29.3	-173.9	52.3	0	0	0	0	113.7	Y520 N534 L535 K536	Y520-S532 VanDerWaalsContact CD2-N 3.35Å; S532-N534 VanDerWaalsContact C-N 3.32Å; S532-L535 PolarHBondContact O-N 3.39Å; S532-K536 WeakPolarHBondContact O-CB 3.45Å; S532-K536 PolarHBondContact O-N 3.19Å
533	S	77.4	Confident	71.1	Confident	71 Å²	71	81.3 Å²	81.3	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-43.1	171.3	-57.6	0	0	0	0	111.2	D531 K536 T537	D531-S533 VanDerWaalsContact C-N 3.31Å; D531-S533 PolarHBondContact O-N 2.97Å; S533-K536 PolarHBondContact O-N 2.92Å; S533-K536 VanDerWaalsContact O-N 3.13Å; S533-T537 PolarHBondContact O-N 3.4Å; S533-T537 PolarHBondContact O-OG1 2.7Å
534	N	77.6	Confident	70.6	Confident	72 Å²	72	74.6 Å²	74.6	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-74	-30.6	-178.1	-57.6	39.2	0	0	0	111	D531 S532 T537 H538	D531-N534 PolarHBondContact O-N 2.89Å; S532-N534 VanDerWaalsContact C-N 3.32Å; N534-T537 WeakPolarHBondContact CA-OG1 3.43Å; N534-T537 PolarHBondContact O-OG1 3.46Å; N534-H538 WeakPolarHBondContact O-CB 3.47Å; N534-H538 PolarHBondContact O-N 2.93Å
535	L	77.3	Confident	70.4	Confident	31 Å²	31	77.6 Å²	77.6	16%	0.162	39%	0.393	C	S	.	.	H	α-helix	trans	-65.6	-43.9	165.5	-174.7	66.1	0	0	0	111.2	E521 C522 Y527 S529 D531 S532 T537 H538 V539	E521-L535 WeakPolarHBondContact O-CD2 3.45Å; C522-L535 HydrophobicContact CB-CD1 3.91Å; Y527-L535 HydrophobicContact CD1-CD1 4.45Å; S529-L535 PolarHBondContact OG-N 3.37Å; D531-L535 PolarHBondContact O-N 3.31Å; S532-L535 PolarHBondContact O-N 3.39Å; L535-T537 PolarHBondContact O-N 2.82Å; L535-H538 PolarHBondContact O-N 2.91Å; L535-V539 HydrophobicContact CD1-CG2 4.19Å; L535-V539 HydrophobicContact CG-CG2 4.23Å; L535-V539 WeakPolarHBondContact O-CG2 3.5Å; L535-V539 PolarHBondContact O-N 3.28Å
536	K	73.2	Confident	69.7	Low	164 Å²	164	83.7 Å²	83.7	71%	0.713	42%	0.416	S	S	*	.	H	α-helix	trans	-64.4	-39.5	-178.9	-170.1	174.1	-179.2	179.8	0	112.3	S532 S533 K540	S532-K536 WeakPolarHBondContact O-CB 3.45Å; S532-K536 PolarHBondContact O-N 3.19Å; S533-K536 PolarHBondContact O-N 2.92Å; S533-K536 VanDerWaalsContact O-N 3.13Å; K536-K540 WeakPolarHBondContact O-CB 3.19Å; K536-K540 PolarHBondContact O-N 3.47Å
537	T	76.8	Confident	68.9	Low	86 Å²	86	76 Å²	76	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-41.5	173.7	54.2	0	0	0	0	111.8	S533 N534 L535 V539 K540 T541	S533-T537 PolarHBondContact O-N 3.4Å; S533-T537 PolarHBondContact O-OG1 2.7Å; N534-T537 WeakPolarHBondContact CA-OG1 3.43Å; N534-T537 PolarHBondContact O-OG1 3.46Å; L535-T537 PolarHBondContact O-N 2.82Å; T537-V539 PolarHBondContact O-N 3Å; T537-K540 PolarHBondContact O-N 3.41Å; T537-T541 WeakPolarHBondContact O-CB 3.19Å; T537-T541 VanDerWaalsContact O-CG2 3.32Å; T537-T541 WeakPolarHBondContact O-CG2 3.43Å; T537-T541 PolarHBondContact O-N 3.37Å; T537-T541 PolarHBondContact O-OG1 3.48Å
538	H	76.9	Confident	68.6	Low	23 Å²	23	76 Å²	76	11%	0.106	39%	0.393	C	S	.	.	H	α-helix	trans	-56.4	-49.5	171.8	164.8	78.1	0	0	0	111.9	C522 Y527 N534 L535 K540 T541 K542 H543	C522-H538 WeakPolarHBondContact CB-NE2 3.35Å; C522-H538 PolarHBondContact SG-NE2 3.4Å; Y527-H538 VanDerWaalsContact CB-CE1 3.48Å; Y527-H538 WeakPolarHBondContact CB-CE1 3.24Å; Y527-H538 HydrophobicContact CD1-CB 4.01Å; Y527-H538 AromaticContact CD1-CD2 3.44Å; Y527-H538 VanDerWaalsContact CD1-CD2 3.44Å; Y527-H538 WeakPolarHBondContact CD1-CD2 3.23Å; Y527-H538 AromaticContact CD1-CE1 3.72Å; Y527-H538 AromaticContact CD1-CG 3.37Å; Y527-H538 AromaticContact CD1-ND1 3.56Å; Y527-H538 AromaticContact CD1-NE2 3.66Å; Y527-H538 HydrophobicContact CE1-CB 3.75Å; Y527-H538 AromaticContact CE1-CG 3.64Å; Y527-H538 AromaticContact CE1-ND1 3.96Å; Y527-H538 AromaticContact CG-CE1 3.57Å; Y527-H538 AromaticContact CG-ND1 3.69Å; Y527-H538 AromaticContact CG-NE2 3.81Å; N534-H538 WeakPolarHBondContact O-CB 3.47Å; N534-H538 PolarHBondContact O-N 2.93Å; L535-H538 PolarHBondContact O-N 2.91Å; H538-K540 PolarHBondContact O-N 3.13Å; H538-T541 PolarHBondContact O-N 3.08Å; H538-T541 VanDerWaalsContact O-N 3.13Å; H538-T541 PolarHBondContact O-OG1 3.08Å; H538-K542 WeakPolarHBondContact O-CB 3.34Å; H538-K542 PolarHBondContact O-N 3.11Å; H538-H543 AromaticContact CE1-CD2 3.92Å; H538-H543 AromaticContact CE1-NE2 3.58Å; H538-H543 AromaticContact NE2-CD2 3.39Å; H538-H543 PolarHBondContact NE2-CD2 3.23Å; H538-H543 AromaticContact NE2-NE2 3.29Å; H538-H543 PolarHBondContact NE2-NE2 3.31Å
539	V	71.4	Confident	67.7	Low	43 Å²	43	75.1 Å²	75.1	26%	0.261	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-43.9	178	173	0	0	0	0	111	Y524 L535 T537 T541 H543 S544	Y524-V539 HydrophobicContact CE2-CG1 4.47Å; L535-V539 HydrophobicContact CD1-CG2 4.19Å; L535-V539 HydrophobicContact CG-CG2 4.23Å; L535-V539 WeakPolarHBondContact O-CG2 3.5Å; L535-V539 PolarHBondContact O-N 3.28Å; T537-V539 PolarHBondContact O-N 3Å; V539-T541 VanDerWaalsContact C-N 3.26Å; V539-T541 PolarHBondContact O-N 2.86Å; V539-H543 HydrophobicContact CG1-CB 4.4Å; V539-H543 CarbonylContact O-C 3.58Å; V539-H543 WeakPolarHBondContact O-CA 3.24Å; V539-H543 PolarHBondContact O-N 3.02Å; V539-S544 PolarHBondContact O-N 3.44Å
540	K	69.7	Low	66.7	Low	115 Å²	115	80.5 Å²	80.5	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-67.9	-17	175.7	-155.4	-150	161.4	-167	0	114.2	K536 T537 H538 S544 S559	K536-K540 WeakPolarHBondContact O-CB 3.19Å; K536-K540 PolarHBondContact O-N 3.47Å; T537-K540 PolarHBondContact O-N 3.41Å; H538-K540 PolarHBondContact O-N 3.13Å; K540-S544 PolarHBondContact O-OG 3.43Å; K540-S559 PolarHBondContact NZ-OG 2.8Å
541	T	66	Low	65.9	Low	75 Å²	75	79.3 Å²	79.3	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-109.8	-8.3	-177.5	53.9	0	0	0	0	114.2	T537 H538 V539	T537-T541 WeakPolarHBondContact O-CB 3.19Å; T537-T541 VanDerWaalsContact O-CG2 3.32Å; T537-T541 WeakPolarHBondContact O-CG2 3.43Å; T537-T541 PolarHBondContact O-N 3.37Å; T537-T541 PolarHBondContact O-OG1 3.48Å; H538-T541 PolarHBondContact O-N 3.08Å; H538-T541 VanDerWaalsContact O-N 3.13Å; H538-T541 PolarHBondContact O-OG1 3.08Å; V539-T541 VanDerWaalsContact C-N 3.26Å; V539-T541 PolarHBondContact O-N 2.86Å
542	K	61.6	Low	64.7	Low	115 Å²	115	83.8 Å²	83.8	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-134.3	-16.8	-177.9	-60.5	-64.3	167.1	-165	0	115.1	H538	H538-K542 WeakPolarHBondContact O-CB 3.34Å; H538-K542 PolarHBondContact O-N 3.11Å
543	H	60.2	Low	63.8	Low	43 Å²	43	86.8 Å²	86.8	20%	0.199	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	1.5	-169	-58.6	-63.4	0	0	0	115.9	C522 Y524 C525 H538 V539 K545	C522-H543 PolarHBondContact SG-CD2 3.19Å; Y524-H543 VanDerWaalsContact CB-ND1 3.34Å; Y524-H543 WeakPolarHBondContact CB-ND1 3.25Å; Y524-H543 HydrophobicContact CD2-CB 3.51Å; Y524-H543 AromaticContact CD2-CG 3.91Å; Y524-H543 HydrophobicContact CE2-CB 4.24Å; Y524-H543 HydrophobicContact CG-CB 3.99Å; C525-H543 PolarHBondContact SG-NE2 3.39Å; H538-H543 AromaticContact CE1-CD2 3.92Å; H538-H543 AromaticContact CE1-NE2 3.58Å; H538-H543 AromaticContact NE2-CD2 3.39Å; H538-H543 PolarHBondContact NE2-CD2 3.23Å; H538-H543 AromaticContact NE2-NE2 3.29Å; H538-H543 PolarHBondContact NE2-NE2 3.31Å; V539-H543 HydrophobicContact CG1-CB 4.4Å; V539-H543 CarbonylContact O-C 3.58Å; V539-H543 WeakPolarHBondContact O-CA 3.24Å; V539-H543 PolarHBondContact O-N 3.02Å; H543-K545 PolarHBondContact O-N 3.03Å
544	S	56.4	Low	62.3	Low	33 Å²	33	85.6 Å²	85.6	23%	0.231	43%	0.429	C	S	.	.			trans	-65.9	114.8	169.6	32.5	0	0	0	0	110.1	V539 K540 E546 M547	V539-S544 PolarHBondContact O-N 3.44Å; K540-S544 PolarHBondContact O-OG 3.43Å; S544-E546 PolarHBondContact O-N 3.42Å; S544-M547 VanDerWaalsContact O-CG 3.24Å; S544-M547 WeakPolarHBondContact O-CG 3.47Å; S544-M547 WeakPolarHBondContact OG-CG 3.36Å; S544-M547 PolarHBondContact OG-SD 3.35Å
545	K	54.1	Low	61.2	Low	199 Å²	199	88.4 Å²	88.4	87%	0.865	44%	0.443	S	S	*	.	S	Bend	trans	-80.1	1.2	175.6	-68.7	-175.7	172.3	-177.3	0	113.7	H543	H543-K545 PolarHBondContact O-N 3.03Å
546	E	50.6	Low	60	Low	179 Å²	179	90 Å²	90	84%	0.836	45%	0.452	S	S	*	.			trans	-106.6	52.1	176	-63.7	177.4	162.1	0	0	110.3	S544	S544-E546 PolarHBondContact O-N 3.42Å
547	M	53.3	Low	59.2	Low	28 Å²	28	84.6 Å²	84.6	14%	0.138	43%	0.432	C	S	.	.			trans	-131.3	82.2	179.9	-54.5	-70.2	-90.5	0	0	107.9	S544 F549 T557 F558	S544-M547 VanDerWaalsContact O-CG 3.24Å; S544-M547 WeakPolarHBondContact O-CG 3.47Å; S544-M547 WeakPolarHBondContact OG-CG 3.36Å; S544-M547 PolarHBondContact OG-SD 3.35Å; M547-F549 PolarHBondContact O-N 3.31Å; M547-T557 WeakPolarHBondContact CE-O 3.4Å; M547-F558 WeakPolarHBondContact CB-O 3.44Å
548	P	60.4	Low	58.6	Low	98 Å²	98	82 Å²	82	64%	0.636	41%	0.414	S	S	*	.			trans	-64.8	-22.2	-171.4	-20.7	32.8	0	0	0	113.3
549	F	56.3	Low	57.5	Low	80 Å²	80	82.4 Å²	82.4	35%	0.351	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	99.6	-167.6	-46.3	-68.8	0	0	0	110.5	M547 F558 T561 V564	M547-F549 PolarHBondContact O-N 3.31Å; F549-F558 PolarHBondContact O-N 3.29Å; F549-T561 HydrophobicContact CD1-CG2 3.66Å; F549-T561 HydrophobicContact CD2-CG2 4.01Å; F549-T561 HydrophobicContact CE1-CG2 3.44Å; F549-T561 VanDerWaalsContact CE1-CG2 3.44Å; F549-T561 HydrophobicContact CE2-CG2 3.8Å; F549-T561 HydrophobicContact CG-CG2 3.94Å; F549-T561 HydrophobicContact CZ-CG2 3.52Å; F549-V564 HydrophobicContact CB-CB 4.4Å; F549-V564 HydrophobicContact CB-CG2 3.36Å; F549-V564 WeakPolarHBondContact O-CG2 3.37Å
550	K	55.2	Low	57.1	Low	120 Å²	120	84.9 Å²	84.9	52%	0.522	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	147.9	168.2	53.3	172.5	177.5	137.4	0	110.3	D552 L556	K550-D552 VanDerWaalsContact CE-OD1 3.27Å; K550-D552 WeakPolarHBondContact CE-OD1 3.47Å; K550-D552 IonicContact NZ-OD1 2.65Å; K550-D552 PolarHBondContact NZ-OD1 3.46Å; K550-L556 CarbonylContact C-O 3.58Å
551	C	57.5	Low	56.7	Low	6 Å²	6	82.6 Å²	82.6	4%	0.041	43%	0.427	C	S	.	.			trans	-86.2	117	160.5	177.7	0	0	0	0	109.1	I553 C554 L555 L556 F558	C551-I553 PolarHBondContact O-N 2.85Å; C551-I553 VanDerWaalsContact O-N 3.14Å; C551-C554 PolarHBondContact O-N 3.25Å; C551-L555 VanDerWaalsContact O-CA 3.25Å; C551-L555 WeakPolarHBondContact O-CA 3.28Å; C551-L555 PolarHBondContact O-N 3.2Å; C551-L556 PolarHBondContact N-O 3.13Å; C551-F558 HydrophobicContact CB-CE2 4.15Å
552	D	52.3	Low	56.8	Low	116 Å²	116	86.7 Å²	86.7	62%	0.62	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.5	-176.9	-65.9	-59.7	0	0	0	114.4	K550	K550-D552 VanDerWaalsContact CE-OD1 3.27Å; K550-D552 WeakPolarHBondContact CE-OD1 3.47Å; K550-D552 IonicContact NZ-OD1 2.65Å; K550-D552 PolarHBondContact NZ-OD1 3.46Å
553	I	55.8	Low	56.9	Low	125 Å²	125	84.5 Å²	84.5	64%	0.641	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-36	-178.6	-59	173	0	0	0	112.4	C551 H571	C551-I553 PolarHBondContact O-N 2.85Å; C551-I553 VanDerWaalsContact O-N 3.14Å; I553-H571 HydrophobicContact CD1-CB 3.58Å; I553-H571 HydrophobicContact CG2-CB 4.37Å; I553-H571 WeakPolarHBondContact CG2-ND1 3.34Å
554	C	46.6	Very low	57.1	Low	46 Å²	46	83.6 Å²	83.6	31%	0.311	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-0.9	-175.2	74.4	0	0	0	0	114.9	C551 L556 H567	C551-C554 PolarHBondContact O-N 3.25Å; C554-L556 PolarHBondContact O-N 2.98Å; C554-L556 VanDerWaalsContact O-N 3.12Å; C554-H567 PolarHBondContact SG-NE2 3.47Å
555	L	53.4	Low	57.3	Low	131 Å²	131	88 Å²	88	69%	0.686	44%	0.444	S	S	*	.			trans	59.4	17.2	178.5	-50.8	177.7	0	0	0	115.6	C551	C551-L555 VanDerWaalsContact O-CA 3.25Å; C551-L555 WeakPolarHBondContact O-CA 3.28Å; C551-L555 PolarHBondContact O-N 3.2Å
556	L	51.3	Low	57.7	Low	66 Å²	66	85.4 Å²	85.4	35%	0.346	44%	0.435	S	S	.	.			trans	-66.8	140.4	163.4	-92.2	71	0	0	0	110.1	K550 C551 C554 F558	K550-L556 CarbonylContact C-O 3.58Å; C551-L556 PolarHBondContact N-O 3.13Å; C554-L556 PolarHBondContact O-N 2.98Å; C554-L556 VanDerWaalsContact O-N 3.12Å; L556-F558 HydrophobicContact CB-CD2 4.39Å; L556-F558 HydrophobicContact CB-CE2 3.46Å; L556-F558 VanDerWaalsContact CB-CE2 3.46Å; L556-F558 HydrophobicContact CB-CZ 3.67Å; L556-F558 HydrophobicContact CD2-CZ 3.92Å; L556-F558 HydrophobicContact CG-CZ 4.46Å; L556-F558 WeakPolarHBondContact O-CE2 3.37Å
557	T	58.1	Low	58	Low	49 Å²	49	78.3 Å²	78.3	30%	0.301	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.4	176.9	52.3	0	0	0	0	110.3	M547	M547-T557 WeakPolarHBondContact CE-O 3.4Å
558	F	64.5	Low	58.3	Low	33 Å²	33	78.5 Å²	78.5	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.8	-174.8	-60.1	-95.3	0	0	0	111.5	M547 F549 C551 L556 E563 V564 H567	M547-F558 WeakPolarHBondContact CB-O 3.44Å; F549-F558 PolarHBondContact O-N 3.29Å; C551-F558 HydrophobicContact CB-CE2 4.15Å; L556-F558 HydrophobicContact CB-CD2 4.39Å; L556-F558 HydrophobicContact CB-CE2 3.46Å; L556-F558 VanDerWaalsContact CB-CE2 3.46Å; L556-F558 HydrophobicContact CB-CZ 3.67Å; L556-F558 HydrophobicContact CD2-CZ 3.92Å; L556-F558 HydrophobicContact CG-CZ 4.46Å; L556-F558 WeakPolarHBondContact O-CE2 3.37Å; F558-E563 HydrophobicContact CB-CB 3.94Å; F558-E563 HydrophobicContact CD1-CB 3.97Å; F558-E563 HydrophobicContact CG-CB 4.28Å; F558-V564 HydrophobicContact CB-CG2 3.59Å; F558-V564 HydrophobicContact CD2-CG2 3.73Å; F558-V564 HydrophobicContact CG-CG2 3.92Å; F558-H567 HydrophobicContact CE1-CB 4Å; F558-H567 HydrophobicContact CE2-CB 4.13Å; F558-H567 AromaticContact CE2-CD2 3.55Å; F558-H567 AromaticContact CE2-CG 3.77Å; F558-H567 HydrophobicContact CZ-CB 3.65Å; F558-H567 AromaticContact CZ-CD2 3.47Å; F558-H567 VanDerWaalsContact CZ-CD2 3.47Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.38Å; F558-H567 AromaticContact CZ-CE1 3.96Å; F558-H567 AromaticContact CZ-CG 3.25Å; F558-H567 AromaticContact CZ-ND1 3.59Å; F558-H567 AromaticContact CZ-NE2 3.91Å
559	S	53.7	Low	58.4	Low	31 Å²	31	78 Å²	78	22%	0.217	40%	0.4	C	S	.	.	S	Bend	trans	-75.3	-50.3	-177.5	-9.6	0	0	0	0	110.2	K540 E563	K540-S559 PolarHBondContact NZ-OG 2.8Å; S559-E563 WeakPolarHBondContact CA-OE2 3.41Å; S559-E563 WeakPolarHBondContact CB-OE2 3.46Å; S559-E563 PolarHBondContact N-OE2 2.91Å; S559-E563 PolarHBondContact OG-OE2 3.22Å
560	D	61.4	Low	58.4	Low	95 Å²	95	79.7 Å²	79.7	51%	0.508	41%	0.411	S	S	.	.	S	Bend	trans	-114.4	150.6	-174.3	-70.7	-48.3	0	0	0	113.1	K562 E563 V564	D560-K562 PolarHBondContact O-N 2.82Å; D560-E563 HydrophobicContact CB-CG 4.21Å; D560-E563 PolarHBondContact N-OE2 2.97Å; D560-E563 VanDerWaalsContact N-OE2 3.16Å; D560-E563 WeakPolarHBondContact O-CB 3.47Å; D560-E563 PolarHBondContact O-N 2.93Å; D560-V564 PolarHBondContact O-N 2.85Å; D560-V564 VanDerWaalsContact O-N 3.12Å
561	T	61.8	Low	58.3	Low	67 Å²	67	77.3 Å²	77.3	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-54.5	-34.8	169.5	49.9	0	0	0	0	112.6	F549 V564 Q565	F549-T561 HydrophobicContact CD1-CG2 3.66Å; F549-T561 HydrophobicContact CD2-CG2 4.01Å; F549-T561 HydrophobicContact CE1-CG2 3.44Å; F549-T561 VanDerWaalsContact CE1-CG2 3.44Å; F549-T561 HydrophobicContact CE2-CG2 3.8Å; F549-T561 HydrophobicContact CG-CG2 3.94Å; F549-T561 HydrophobicContact CZ-CG2 3.52Å; T561-V564 PolarHBondContact O-N 2.83Å; T561-Q565 WeakPolarHBondContact O-CB 3.32Å; T561-Q565 WeakPolarHBondContact O-CG 3.38Å; T561-Q565 PolarHBondContact O-N 3.13Å
562	K	68.9	Low	58.2	Low	160 Å²	160	84.6 Å²	84.6	70%	0.696	44%	0.435	S	S	*	.	H	α-helix	trans	-66.5	-38	177.1	-66	178.1	-179.5	176.6	0	112.3	D560 Q565 Q566	D560-K562 PolarHBondContact O-N 2.82Å; K562-Q565 PolarHBondContact O-N 3.28Å; K562-Q566 WeakPolarHBondContact O-CB 2.93Å; K562-Q566 PolarHBondContact O-N 2.93Å
563	E	62.3	Low	58	Low	70 Å²	70	83.8 Å²	83.8	33%	0.327	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-41.6	172.8	-66.1	-179.6	137.4	0	0	110.3	F558 S559 D560 Q566 H567	F558-E563 HydrophobicContact CB-CB 3.94Å; F558-E563 HydrophobicContact CD1-CB 3.97Å; F558-E563 HydrophobicContact CG-CB 4.28Å; S559-E563 WeakPolarHBondContact CA-OE2 3.41Å; S559-E563 WeakPolarHBondContact CB-OE2 3.46Å; S559-E563 PolarHBondContact N-OE2 2.91Å; S559-E563 PolarHBondContact OG-OE2 3.22Å; D560-E563 HydrophobicContact CB-CG 4.21Å; D560-E563 PolarHBondContact N-OE2 2.97Å; D560-E563 VanDerWaalsContact N-OE2 3.16Å; D560-E563 WeakPolarHBondContact O-CB 3.47Å; D560-E563 PolarHBondContact O-N 2.93Å; E563-Q566 PolarHBondContact O-N 3.35Å; E563-H567 VanDerWaalsContact O-CB 3.24Å; E563-H567 WeakPolarHBondContact O-CB 3.34Å; E563-H567 PolarHBondContact O-N 3.28Å
564	V	64.3	Low	57.6	Low	23 Å²	23	81.8 Å²	81.8	14%	0.139	43%	0.425	C	S	.	.	H	α-helix	trans	-65.2	-41.6	175.1	-176.2	0	0	0	0	112.2	F549 F558 D560 T561 H567 A568	F549-V564 HydrophobicContact CB-CB 4.4Å; F549-V564 HydrophobicContact CB-CG2 3.36Å; F549-V564 WeakPolarHBondContact O-CG2 3.37Å; F558-V564 HydrophobicContact CB-CG2 3.59Å; F558-V564 HydrophobicContact CD2-CG2 3.73Å; F558-V564 HydrophobicContact CG-CG2 3.92Å; D560-V564 PolarHBondContact O-N 2.85Å; D560-V564 VanDerWaalsContact O-N 3.12Å; T561-V564 PolarHBondContact O-N 2.83Å; V564-H567 CarbonylContact O-C 3.59Å; V564-H567 PolarHBondContact O-N 3.12Å; V564-A568 WeakPolarHBondContact O-CB 3.3Å; V564-A568 PolarHBondContact O-N 3.47Å
565	Q	62.2	Low	57.6	Low	126 Å²	126	87.2 Å²	87.2	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-64.9	-46.5	176.8	-75.7	171.9	-24.6	0	0	110.9	T561 K562 H567 A568 L569	T561-Q565 WeakPolarHBondContact O-CB 3.32Å; T561-Q565 WeakPolarHBondContact O-CG 3.38Å; T561-Q565 PolarHBondContact O-N 3.13Å; K562-Q565 PolarHBondContact O-N 3.28Å; Q565-H567 PolarHBondContact O-N 3.27Å; Q565-A568 PolarHBondContact O-N 3.25Å; Q565-L569 WeakPolarHBondContact O-CG 3.47Å; Q565-L569 PolarHBondContact O-N 3.49Å
566	Q	60.8	Low	57.8	Low	145 Å²	145	82.6 Å²	82.6	68%	0.678	42%	0.42	S	S	*	.	H	α-helix	trans	-62	-32.9	175.5	-169.7	175.4	17.1	0	0	112.4	K562 E563	K562-Q566 WeakPolarHBondContact O-CB 2.93Å; K562-Q566 PolarHBondContact O-N 2.93Å; E563-Q566 PolarHBondContact O-N 3.35Å
567	H	58.6	Low	58.1	Low	29 Å²	29	83.4 Å²	83.4	13%	0.134	42%	0.422	C	S	.	.	H	α-helix	trans	-77.1	-36.8	173.4	-179.9	72.8	0	0	0	113.3	C554 F558 E563 V564 Q565 L569 I570 H571	C554-H567 PolarHBondContact SG-NE2 3.47Å; F558-H567 HydrophobicContact CE1-CB 4Å; F558-H567 HydrophobicContact CE2-CB 4.13Å; F558-H567 AromaticContact CE2-CD2 3.55Å; F558-H567 AromaticContact CE2-CG 3.77Å; F558-H567 HydrophobicContact CZ-CB 3.65Å; F558-H567 AromaticContact CZ-CD2 3.47Å; F558-H567 VanDerWaalsContact CZ-CD2 3.47Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.38Å; F558-H567 AromaticContact CZ-CE1 3.96Å; F558-H567 AromaticContact CZ-CG 3.25Å; F558-H567 AromaticContact CZ-ND1 3.59Å; F558-H567 AromaticContact CZ-NE2 3.91Å; E563-H567 VanDerWaalsContact O-CB 3.24Å; E563-H567 WeakPolarHBondContact O-CB 3.34Å; E563-H567 PolarHBondContact O-N 3.28Å; V564-H567 CarbonylContact O-C 3.59Å; V564-H567 PolarHBondContact O-N 3.12Å; Q565-H567 PolarHBondContact O-N 3.27Å; H567-L569 VanDerWaalsContact C-N 3.27Å; H567-L569 PolarHBondContact O-N 2.97Å; H567-I570 VanDerWaalsContact O-CB 3.23Å; H567-I570 WeakPolarHBondContact O-CB 3.27Å; H567-I570 WeakPolarHBondContact O-CG1 3.48Å; H567-I570 PolarHBondContact O-N 3.37Å; H567-H571 AromaticContact CD2-NE2 3.63Å; H567-H571 AromaticContact CE1-NE2 3.62Å; H567-H571 AromaticContact NE2-CD2 3.82Å; H567-H571 AromaticContact NE2-CE1 4Å; H567-H571 AromaticContact NE2-NE2 2.97Å; H567-H571 PolarHBondContact NE2-NE2 3.48Å; H567-H571 PolarHBondContact O-CD2 3.18Å
568	A	59	Low	58.4	Low	32 Å²	32	84.3 Å²	84.3	26%	0.264	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-35.1	175.8	0	0	0	0	0	111.1	V564 Q565 I570 H571 Q572	V564-A568 WeakPolarHBondContact O-CB 3.3Å; V564-A568 PolarHBondContact O-N 3.47Å; Q565-A568 PolarHBondContact O-N 3.25Å; A568-I570 PolarHBondContact O-N 2.73Å; A568-H571 PolarHBondContact O-N 3.44Å; A568-Q572 WeakPolarHBondContact O-CB 3.33Å; A568-Q572 PolarHBondContact O-N 3.08Å
569	L	62.3	Low	58.3	Low	89 Å²	89	83 Å²	83	47%	0.466	42%	0.417	S	S	.	.	H	α-helix	trans	-57.8	-25.6	169.8	-72.1	174.4	0	0	0	113.1	Q565 H567 H571 E573	Q565-L569 WeakPolarHBondContact O-CG 3.47Å; Q565-L569 PolarHBondContact O-N 3.49Å; H567-L569 VanDerWaalsContact C-N 3.27Å; H567-L569 PolarHBondContact O-N 2.97Å; L569-H571 VanDerWaalsContact C-N 3.32Å; L569-E573 CarbonylContact O-C 3.57Å; L569-E573 WeakPolarHBondContact O-CA 3.11Å; L569-E573 PolarHBondContact O-N 3.48Å
570	I	56.3	Low	58.7	Low	114 Å²	114	89.2 Å²	89.2	59%	0.585	45%	0.447	S	S	*	.	H	α-helix	trans	-71.6	-28.8	175.2	-50.7	175.2	0	0	0	111.5	H567 A568	H567-I570 VanDerWaalsContact O-CB 3.23Å; H567-I570 WeakPolarHBondContact O-CB 3.27Å; H567-I570 WeakPolarHBondContact O-CG1 3.48Å; H567-I570 PolarHBondContact O-N 3.37Å; A568-I570 PolarHBondContact O-N 2.73Å
571	H	53.8	Low	58.7	Low	71 Å²	71	90.5 Å²	90.5	33%	0.329	45%	0.45	S	S	.	.	H	α-helix	trans	-87.6	-35.3	175.4	-58.6	-77.1	0	0	0	112.3	I553 H567 A568 L569	I553-H571 HydrophobicContact CD1-CB 3.58Å; I553-H571 HydrophobicContact CG2-CB 4.37Å; I553-H571 WeakPolarHBondContact CG2-ND1 3.34Å; H567-H571 AromaticContact CD2-NE2 3.63Å; H567-H571 AromaticContact CE1-NE2 3.62Å; H567-H571 AromaticContact NE2-CD2 3.82Å; H567-H571 AromaticContact NE2-CE1 4Å; H567-H571 AromaticContact NE2-NE2 2.97Å; H567-H571 PolarHBondContact NE2-NE2 3.48Å; H567-H571 PolarHBondContact O-CD2 3.18Å; A568-H571 PolarHBondContact O-N 3.44Å; L569-H571 VanDerWaalsContact C-N 3.32Å
572	Q	55.2	Low	59	Low	159 Å²	159	89.3 Å²	89.3	74%	0.743	44%	0.444	S	S	*	.	H	α-helix	trans	-82.8	-34.6	-176.1	-164.5	169.6	25.2	0	0	112.6	A568	A568-Q572 WeakPolarHBondContact O-CB 3.33Å; A568-Q572 PolarHBondContact O-N 3.08Å
573	E	47.6	Very low	58.8	Low	99 Å²	99	89 Å²	89	46%	0.463	45%	0.45	S	S	.	.	S	Bend	trans	-125.4	117.3	163.8	-72	-171.1	155.5	0	0	109.5	L569 K575	L569-E573 CarbonylContact O-C 3.57Å; L569-E573 WeakPolarHBondContact O-CA 3.11Å; L569-E573 PolarHBondContact O-N 3.48Å; E573-K575 HydrophobicContact CB-CG 4.45Å; E573-K575 PolarHBondContact O-N 3.44Å; E573-K575 WeakPolarHBondContact OE2-CE 3.04Å; E573-K575 IonicContact OE2-NZ 2.68Å; E573-K575 PolarHBondContact OE2-NZ 3.36Å
574	S	47.3	Very low	58.8	Low	83 Å²	83	89.6 Å²	89.6	58%	0.58	45%	0.452	S	S	*	.			trans	-66.5	87.1	158	70.1	0	0	0	0	108	T576	S574-T576 PolarHBondContact O-N 3.38Å; S574-T576 PolarHBondContact O-OG1 3.18Å
575	K	47.7	Very low	59	Low	160 Å²	160	94.5 Å²	94.5	70%	0.696	47%	0.472	S	S	*	.			trans	-70.9	53.6	164.1	-90.6	-178.5	167	115.4	0	110.1	E573 H577	E573-K575 HydrophobicContact CB-CG 4.45Å; E573-K575 PolarHBondContact O-N 3.44Å; E573-K575 WeakPolarHBondContact OE2-CE 3.04Å; E573-K575 IonicContact OE2-NZ 2.68Å; E573-K575 PolarHBondContact OE2-NZ 3.36Å; K575-H577 PolarHBondContact O-N 2.84Å
576	T	56.8	Low	59.3	Low	33 Å²	33	88.8 Å²	88.8	20%	0.202	45%	0.446	C	S	.	.			trans	-55.9	132.4	161.8	49.9	0	0	0	0	108.5	S574 Q578 K585 S586	S574-T576 PolarHBondContact O-N 3.38Å; S574-T576 PolarHBondContact O-OG1 3.18Å; T576-Q578 PolarHBondContact O-N 3.45Å; T576-K585 HydrophobicContact CG2-CB 3.9Å; T576-K585 WeakPolarHBondContact OG1-CB 3.41Å; T576-K585 WeakPolarHBondContact OG1-CG 3.33Å; T576-S586 CarbonylContact C-O 3.59Å; T576-S586 VanDerWaalsContact C-O 3.31Å; T576-S586 WeakPolarHBondContact CA-O 3.41Å; T576-S586 VanDerWaalsContact CB-O 3.24Å; T576-S586 WeakPolarHBondContact CB-O 3.36Å
577	H	57.9	Low	59.4	Low	83 Å²	83	87.1 Å²	87.1	38%	0.384	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	101.8	168	-66.6	-91.3	0	0	0	107.5	K575 S586 S589 L592	K575-H577 PolarHBondContact O-N 2.84Å; H577-S586 PolarHBondContact N-O 2.95Å; H577-S586 PolarHBondContact O-N 2.82Å; H577-S586 PolarHBondContact O-OG 3.23Å; H577-S589 PolarHBondContact CD2-N 3.3Å; H577-S589 PolarHBondContact NE2-N 3.47Å; H577-L592 HydrophobicContact CB-CB 3.56Å; H577-L592 HydrophobicContact CB-CD2 3.68Å; H577-L592 HydrophobicContact CB-CG 4.19Å
578	Q	63.3	Low	60	Low	69 Å²	69	89.2 Å²	89.2	32%	0.322	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138	-179.9	179.3	65.1	61.1	0	0	109.8	T576 C582 D583 H584 L592	T576-Q578 PolarHBondContact O-N 3.45Å; Q578-C582 PolarHBondContact NE2-O 3.27Å; Q578-D583 PolarHBondContact NE2-O 2.95Å; Q578-H584 PolarHBondContact NE2-O 3Å; Q578-L592 VanDerWaalsContact O-CD2 3.28Å; Q578-L592 WeakPolarHBondContact O-CD2 3.48Å
579	C	63.9	Low	60.6	Low	5 Å²	5	89.8 Å²	89.8	3%	0.034	47%	0.465	C	S	.	.			trans	-75.4	130.6	169.7	-168.9	0	0	0	0	111.2	H581 C582 H584 L592 H595	C579-H581 PolarHBondContact O-N 3.5Å; C579-H581 PolarHBondContact SG-N 3.45Å; C579-H581 VanDerWaalsContact SG-N 3.44Å; C579-C582 WeakPolarHBondContact CB-O 3.47Å; C579-H584 PolarHBondContact N-O 3.47Å; C579-L592 HydrophobicContact CB-CD1 3.72Å; C579-H595 WeakPolarHBondContact CB-NE2 3.45Å; C579-H595 VanDerWaalsContact SG-CD2 3.57Å; C579-H595 PolarHBondContact SG-NE2 3.19Å
580	L	61.8	Low	61.2	Low	161 Å²	161	88.6 Å²	88.6	84%	0.843	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.4	173.3	-61.3	175.8	0	0	0	113.1
581	H	60.4	Low	62.1	Low	123 Å²	123	85.7 Å²	85.7	57%	0.569	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-2.7	-176.2	-53.8	-52.1	0	0	0	114	C579 H600	C579-H581 PolarHBondContact O-N 3.5Å; C579-H581 PolarHBondContact SG-N 3.45Å; C579-H581 VanDerWaalsContact SG-N 3.44Å; H581-H600 VanDerWaalsContact CB-CE1 3.42Å; H581-H600 WeakPolarHBondContact CB-CE1 3.48Å; H581-H600 VanDerWaalsContact CB-ND1 3.33Å; H581-H600 WeakPolarHBondContact CB-ND1 3.46Å; H581-H600 PolarHBondContact O-CE1 3.41Å
582	C	68.6	Low	63	Low	42 Å²	42	83.4 Å²	83.4	28%	0.284	44%	0.439	S	S	.	.	S	Bend	trans	-169.5	172.1	167	64.9	0	0	0	0	111.5	Q578 C579 H584 H595 H600	Q578-C582 PolarHBondContact NE2-O 3.27Å; C579-C582 WeakPolarHBondContact CB-O 3.47Å; C582-H584 PolarHBondContact O-N 3.17Å; C582-H595 PolarHBondContact SG-CE1 2.98Å; C582-H595 PolarHBondContact SG-NE2 2.98Å; C582-H600 PolarHBondContact SG-NE2 3.2Å
583	D	65.3	Low	63.8	Low	152 Å²	152	82.5 Å²	82.5	81%	0.813	43%	0.433	S	S	*	.	S	Bend	trans	-68.9	9.4	-176.5	-51.1	-58.1	0	0	0	115.5	Q578 K585	Q578-D583 PolarHBondContact NE2-O 2.95Å; D583-K585 PolarHBondContact O-N 3.25Å
584	H	61	Low	65	Low	83 Å²	83	81 Å²	81	38%	0.384	42%	0.423	S	S	.	.			trans	-69.4	116.1	-179.7	-171.2	63.3	0	0	0	112.9	Q578 C579 C582 H595	Q578-H584 PolarHBondContact NE2-O 3Å; C579-H584 PolarHBondContact N-O 3.47Å; C582-H584 PolarHBondContact O-N 3.17Å; H584-H595 AromaticContact CD2-CG 3.39Å; H584-H595 AromaticContact CD2-ND1 3.36Å; H584-H595 PolarHBondContact CD2-ND1 2.87Å; H584-H595 AromaticContact CG-CG 3.96Å; H584-H595 AromaticContact CG-ND1 3.56Å
585	K	69.1	Low	66.5	Low	127 Å²	127	78.6 Å²	78.6	55%	0.552	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	117	174.7	-74.3	-177.4	-179.1	-176.8	0	110.2	T576 D583	T576-K585 HydrophobicContact CG2-CB 3.9Å; T576-K585 WeakPolarHBondContact OG1-CB 3.41Å; T576-K585 WeakPolarHBondContact OG1-CG 3.33Å; D583-K585 PolarHBondContact O-N 3.25Å
586	S	67.9	Low	67.7	Low	6 Å²	6	73.1 Å²	73.1	4%	0.042	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.5	180	69.4	0	0	0	0	112.4	T576 H577 N588 L592	T576-S586 CarbonylContact C-O 3.59Å; T576-S586 VanDerWaalsContact C-O 3.31Å; T576-S586 WeakPolarHBondContact CA-O 3.41Å; T576-S586 VanDerWaalsContact CB-O 3.24Å; T576-S586 WeakPolarHBondContact CB-O 3.36Å; H577-S586 PolarHBondContact N-O 2.95Å; H577-S586 PolarHBondContact O-N 2.82Å; H577-S586 PolarHBondContact O-OG 3.23Å; S586-N588 PolarHBondContact O-N 3.39Å; S586-L592 VanDerWaalsContact OG-CA 3.31Å; S586-L592 WeakPolarHBondContact OG-CA 3.33Å; S586-L592 VanDerWaalsContact OG-CB 3.3Å; S586-L592 WeakPolarHBondContact OG-CB 3.45Å; S586-L592 PolarHBondContact OG-N 3.31Å; S586-L592 VanDerWaalsContact OG-N 3.08Å
587	S	63.1	Low	68.4	Low	110 Å²	110	73.6 Å²	73.6	77%	0.769	38%	0.381	S	S	*	.	S	Bend	trans	-73.6	-3.8	-172.5	49.3	0	0	0	0	115.6
588	N	71.7	Confident	69	Low	72 Å²	72	71.6 Å²	71.6	39%	0.385	38%	0.377	S	S	.	.	S	Bend	trans	-152.1	142.3	-177.1	-178.8	-26.9	0	0	0	110.3	S586 S590 D591 L592	S586-N588 PolarHBondContact O-N 3.39Å; N588-S590 PolarHBondContact O-N 3.46Å; N588-S590 VanDerWaalsContact O-N 3.13Å; N588-S590 WeakPolarHBondContact OD1-CB 3.47Å; N588-S590 PolarHBondContact OD1-N 3.38Å; N588-D591 WeakPolarHBondContact CB-OD2 3.23Å; N588-D591 WeakPolarHBondContact O-CA 3.49Å; N588-D591 WeakPolarHBondContact O-CB 3.47Å; N588-D591 PolarHBondContact O-N 2.76Å; N588-L592 PolarHBondContact O-N 2.9Å
589	S	72.5	Confident	69.2	Low	45 Å²	45	71.5 Å²	71.5	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-31.2	175.6	68.3	0	0	0	0	113.6	H577 D591 L592 K593	H577-S589 PolarHBondContact CD2-N 3.3Å; H577-S589 PolarHBondContact NE2-N 3.47Å; S589-D591 VanDerWaalsContact C-N 3.31Å; S589-L592 PolarHBondContact O-N 3.33Å; S589-K593 WeakPolarHBondContact O-CB 3.44Å; S589-K593 VanDerWaalsContact O-CG 3.3Å; S589-K593 WeakPolarHBondContact O-CG 3.5Å; S589-K593 PolarHBondContact O-N 2.93Å
590	S	73.9	Confident	69.4	Low	63 Å²	63	74.3 Å²	74.3	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-74	-20.2	176.3	-66.1	0	0	0	0	113.7	N588 R594	N588-S590 PolarHBondContact O-N 3.46Å; N588-S590 VanDerWaalsContact O-N 3.13Å; N588-S590 WeakPolarHBondContact OD1-CB 3.47Å; N588-S590 PolarHBondContact OD1-N 3.38Å; S590-R594 PolarHBondContact O-NH2 3.01Å
591	D	75.8	Confident	69.8	Low	53 Å²	53	70.7 Å²	70.7	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-87.6	-38	170.7	-67.4	-60.5	0	0	0	110.3	N588 S589 R594 H595	N588-D591 WeakPolarHBondContact CB-OD2 3.23Å; N588-D591 WeakPolarHBondContact O-CA 3.49Å; N588-D591 WeakPolarHBondContact O-CB 3.47Å; N588-D591 PolarHBondContact O-N 2.76Å; S589-D591 VanDerWaalsContact C-N 3.31Å; D591-R594 PolarHBondContact O-N 3.09Å; D591-R594 IonicContact OD1-CZ 2.7Å; D591-R594 IonicContact OD1-NH1 3.6Å; D591-R594 PolarHBondContact OD1-NH1 3.22Å; D591-R594 IonicContact OD1-NH2 2.68Å; D591-R594 PolarHBondContact OD1-NH2 3.37Å; D591-H595 WeakPolarHBondContact O-CB 3.38Å; D591-H595 PolarHBondContact O-N 3.2Å
592	L	73.1	Confident	70.1	Confident	23 Å²	23	71.5 Å²	71.5	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-61	-49.5	171.4	177.4	59.6	0	0	0	111.8	H577 Q578 C579 S586 N588 S589 R594 H595 I596	H577-L592 HydrophobicContact CB-CB 3.56Å; H577-L592 HydrophobicContact CB-CD2 3.68Å; H577-L592 HydrophobicContact CB-CG 4.19Å; Q578-L592 VanDerWaalsContact O-CD2 3.28Å; Q578-L592 WeakPolarHBondContact O-CD2 3.48Å; C579-L592 HydrophobicContact CB-CD1 3.72Å; S586-L592 VanDerWaalsContact OG-CA 3.31Å; S586-L592 WeakPolarHBondContact OG-CA 3.33Å; S586-L592 VanDerWaalsContact OG-CB 3.3Å; S586-L592 WeakPolarHBondContact OG-CB 3.45Å; S586-L592 PolarHBondContact OG-N 3.31Å; S586-L592 VanDerWaalsContact OG-N 3.08Å; N588-L592 PolarHBondContact O-N 2.9Å; S589-L592 PolarHBondContact O-N 3.33Å; L592-R594 PolarHBondContact O-N 3.49Å; L592-H595 WeakPolarHBondContact O-CB 3.14Å; L592-H595 PolarHBondContact O-N 2.92Å; L592-I596 HydrophobicContact CD1-CD1 3.82Å; L592-I596 HydrophobicContact CD1-CG1 3.83Å; L592-I596 HydrophobicContact CD2-CD1 4.11Å; L592-I596 HydrophobicContact CG-CD1 3.72Å; L592-I596 HydrophobicContact CG-CG1 4.18Å; L592-I596 WeakPolarHBondContact O-CG1 3.46Å; L592-I596 PolarHBondContact O-N 2.63Å
593	K	70.8	Confident	70	Confident	140 Å²	140	73.9 Å²	73.9	61%	0.609	39%	0.39	S	S	*	.	H	α-helix	trans	-56.6	-40.9	178.6	-75.9	174.6	178.5	-178.5	0	110.6	S589 I597	S589-K593 WeakPolarHBondContact O-CB 3.44Å; S589-K593 VanDerWaalsContact O-CG 3.3Å; S589-K593 WeakPolarHBondContact O-CG 3.5Å; S589-K593 PolarHBondContact O-N 2.93Å; K593-I597 WeakPolarHBondContact O-CB 3.35Å; K593-I597 VanDerWaalsContact O-CD1 3.31Å; K593-I597 WeakPolarHBondContact O-CD1 3.39Å; K593-I597 WeakPolarHBondContact O-CG1 3.5Å; K593-I597 PolarHBondContact O-N 3.45Å; K593-I597 VanDerWaalsContact O-N 3.08Å
594	R	74.1	Confident	70.4	Confident	68 Å²	68	70 Å²	70	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-44.9	174.2	-165.1	-174.2	-44.3	117.2	29.5	112.2	S590 D591 L592 I597 S598 H616	S590-R594 PolarHBondContact O-NH2 3.01Å; D591-R594 PolarHBondContact O-N 3.09Å; D591-R594 IonicContact OD1-CZ 2.7Å; D591-R594 IonicContact OD1-NH1 3.6Å; D591-R594 PolarHBondContact OD1-NH1 3.22Å; D591-R594 IonicContact OD1-NH2 2.68Å; D591-R594 PolarHBondContact OD1-NH2 3.37Å; L592-R594 PolarHBondContact O-N 3.49Å; R594-I597 PolarHBondContact O-N 3.43Å; R594-S598 VanDerWaalsContact O-CB 3.22Å; R594-S598 WeakPolarHBondContact O-CB 3.47Å; R594-S598 PolarHBondContact O-N 3.23Å; R594-S598 PolarHBondContact O-OG 3.32Å; R594-S598 VanDerWaalsContact O-OG 3.08Å; R594-H616 HydrophobicContact CG-CB 3.91Å
595	H	78.1	Confident	71	Confident	32 Å²	32	69.8 Å²	69.8	15%	0.148	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-48.9	176.6	169.4	80.7	0	0	0	112.1	C579 C582 H584 D591 L592 I597 S598 V599 H600	C579-H595 WeakPolarHBondContact CB-NE2 3.45Å; C579-H595 VanDerWaalsContact SG-CD2 3.57Å; C579-H595 PolarHBondContact SG-NE2 3.19Å; C582-H595 PolarHBondContact SG-CE1 2.98Å; C582-H595 PolarHBondContact SG-NE2 2.98Å; H584-H595 AromaticContact CD2-CG 3.39Å; H584-H595 AromaticContact CD2-ND1 3.36Å; H584-H595 PolarHBondContact CD2-ND1 2.87Å; H584-H595 AromaticContact CG-CG 3.96Å; H584-H595 AromaticContact CG-ND1 3.56Å; D591-H595 WeakPolarHBondContact O-CB 3.38Å; D591-H595 PolarHBondContact O-N 3.2Å; L592-H595 WeakPolarHBondContact O-CB 3.14Å; L592-H595 PolarHBondContact O-N 2.92Å; H595-I597 VanDerWaalsContact C-N 3.31Å; H595-I597 PolarHBondContact O-N 3.42Å; H595-S598 PolarHBondContact O-N 3.33Å; H595-S598 PolarHBondContact O-OG 3.44Å; H595-V599 WeakPolarHBondContact CE1-CG2 3.42Å; H595-V599 WeakPolarHBondContact O-CB 3.46Å; H595-V599 PolarHBondContact O-N 2.89Å; H595-H600 AromaticContact CE1-NE2 3.98Å; H595-H600 AromaticContact NE2-CD2 2.93Å; H595-H600 PolarHBondContact NE2-CD2 3.42Å; H595-H600 AromaticContact NE2-CE1 3.56Å; H595-H600 AromaticContact NE2-NE2 2.32Å; H595-H600 PolarHBondContact NE2-NE2 3.16Å
596	I	72	Confident	71.2	Confident	46 Å²	46	66.6 Å²	66.6	24%	0.236	36%	0.357	C	S	.	.	I	π-helix	trans	-56.9	-47.9	177.2	-69.2	171.2	0	0	0	110.2	L592 H600 T601	L592-I596 HydrophobicContact CD1-CD1 3.82Å; L592-I596 HydrophobicContact CD1-CG1 3.83Å; L592-I596 HydrophobicContact CD2-CD1 4.11Å; L592-I596 HydrophobicContact CG-CD1 3.72Å; L592-I596 HydrophobicContact CG-CG1 4.18Å; L592-I596 WeakPolarHBondContact O-CG1 3.46Å; L592-I596 PolarHBondContact O-N 2.63Å; I596-H600 WeakPolarHBondContact O-CA 3.35Å; I596-H600 WeakPolarHBondContact O-CB 3.17Å; I596-H600 PolarHBondContact O-N 3.43Å; I596-T601 HydrophobicContact CG2-CG2 4.34Å; I596-T601 PolarHBondContact O-N 2.95Å; I596-T601 VanDerWaalsContact O-N 3.08Å
597	I	72.1	Confident	71.6	Confident	42 Å²	42	71.7 Å²	71.7	22%	0.215	38%	0.378	C	S	.	.	I	π-helix	trans	-70.4	-33.8	-178.3	-59.9	164.1	0	0	0	111.8	K593 R594 H595 T601 K602 D603 H616	K593-I597 WeakPolarHBondContact O-CB 3.35Å; K593-I597 VanDerWaalsContact O-CD1 3.31Å; K593-I597 WeakPolarHBondContact O-CD1 3.39Å; K593-I597 WeakPolarHBondContact O-CG1 3.5Å; K593-I597 PolarHBondContact O-N 3.45Å; K593-I597 VanDerWaalsContact O-N 3.08Å; R594-I597 PolarHBondContact O-N 3.43Å; H595-I597 VanDerWaalsContact C-N 3.31Å; H595-I597 PolarHBondContact O-N 3.42Å; I597-T601 WeakPolarHBondContact CA-OG1 3.39Å; I597-K602 WeakPolarHBondContact O-CA 3.42Å; I597-K602 PolarHBondContact O-N 2.65Å; I597-D603 WeakPolarHBondContact CG2-O 3.27Å; I597-H616 WeakPolarHBondContact CG2-ND1 3.26Å
598	S	70.5	Confident	72.4	Confident	41 Å²	41	66.5 Å²	66.5	29%	0.287	34%	0.342	S	S	.	.	I	π-helix	trans	-80.8	-36.8	-177.4	69.8	0	0	0	0	114	R594 H595 H616	R594-S598 VanDerWaalsContact O-CB 3.22Å; R594-S598 WeakPolarHBondContact O-CB 3.47Å; R594-S598 PolarHBondContact O-N 3.23Å; R594-S598 PolarHBondContact O-OG 3.32Å; R594-S598 VanDerWaalsContact O-OG 3.08Å; H595-S598 PolarHBondContact O-N 3.33Å; H595-S598 PolarHBondContact O-OG 3.44Å; S598-H616 VanDerWaalsContact CB-NE2 3.29Å; S598-H616 WeakPolarHBondContact CB-NE2 3.09Å; S598-H616 PolarHBondContact N-CE1 3.5Å
599	V	66.8	Low	72.5	Confident	67 Å²	67	70.3 Å²	70.3	41%	0.406	36%	0.363	S	S	.	.	I	π-helix	trans	-98.5	-44.8	-173.5	179.4	0	0	0	0	111.9	H595	H595-V599 WeakPolarHBondContact CE1-CG2 3.42Å; H595-V599 WeakPolarHBondContact O-CB 3.46Å; H595-V599 PolarHBondContact O-N 2.89Å
600	H	69.6	Low	72.4	Confident	65 Å²	65	74 Å²	74	30%	0.301	38%	0.377	S	S	.	.	I	π-helix	trans	-99.2	-55.9	-166.5	-61.5	-78	0	0	0	113.2	H581 C582 H595 I596	H581-H600 VanDerWaalsContact CB-CE1 3.42Å; H581-H600 WeakPolarHBondContact CB-CE1 3.48Å; H581-H600 VanDerWaalsContact CB-ND1 3.33Å; H581-H600 WeakPolarHBondContact CB-ND1 3.46Å; H581-H600 PolarHBondContact O-CE1 3.41Å; C582-H600 PolarHBondContact SG-NE2 3.2Å; H595-H600 AromaticContact CE1-NE2 3.98Å; H595-H600 AromaticContact NE2-CD2 2.93Å; H595-H600 PolarHBondContact NE2-CD2 3.42Å; H595-H600 AromaticContact NE2-CE1 3.56Å; H595-H600 AromaticContact NE2-NE2 2.32Å; H595-H600 PolarHBondContact NE2-NE2 3.16Å; I596-H600 WeakPolarHBondContact O-CA 3.35Å; I596-H600 WeakPolarHBondContact O-CB 3.17Å; I596-H600 PolarHBondContact O-N 3.43Å
601	T	69.1	Low	72.3	Confident	84 Å²	84	72.8 Å²	72.8	52%	0.515	37%	0.368	S	S	.	.	I	π-helix	trans	-87.4	-31.9	-177.1	69.4	0	0	0	0	113.7	I596 I597 D603	I596-T601 HydrophobicContact CG2-CG2 4.34Å; I596-T601 PolarHBondContact O-N 2.95Å; I596-T601 VanDerWaalsContact O-N 3.08Å; I597-T601 WeakPolarHBondContact CA-OG1 3.39Å; T601-D603 PolarHBondContact O-N 2.81Å
602	K	66.2	Low	72	Confident	141 Å²	141	77 Å²	77	61%	0.613	39%	0.39	S	S	*	.			trans	56.3	13.3	-174.5	-62.1	171.7	-175.2	162.7	0	114.7	I597 Y604	I597-K602 WeakPolarHBondContact O-CA 3.42Å; I597-K602 PolarHBondContact O-N 2.65Å; K602-Y604 HydrophobicContact CB-CE2 4.45Å; K602-Y604 WeakPolarHBondContact O-CD2 3.38Å; K602-Y604 WeakPolarHBondContact O-CE2 3.46Å; K602-Y604 PolarHBondContact O-N 2.91Å
603	D	68.2	Low	71.9	Confident	92 Å²	92	81.4 Å²	81.4	49%	0.492	41%	0.408	S	S	.	.			trans	-91.3	95.4	176.5	-173	36.8	0	0	0	110.9	I597 T601 P605 K607	I597-D603 WeakPolarHBondContact CG2-O 3.27Å; T601-D603 PolarHBondContact O-N 2.81Å; D603-P605 WeakPolarHBondContact O-CD 3.49Å; D603-K607 WeakPolarHBondContact OD1-CE 3.34Å; D603-K607 IonicContact OD1-NZ 2.64Å; D603-K607 PolarHBondContact OD1-NZ 3.39Å
604	Y	72.9	Confident	72.2	Confident	69 Å²	69	75.6 Å²	75.6	27%	0.271	39%	0.388	S	S	.	.			trans	-78.2	121.6	-176.4	-58.8	-97	0	0	0	110.8	K602 H606 K607 G614 H616	K602-Y604 HydrophobicContact CB-CE2 4.45Å; K602-Y604 WeakPolarHBondContact O-CD2 3.38Å; K602-Y604 WeakPolarHBondContact O-CE2 3.46Å; K602-Y604 PolarHBondContact O-N 2.91Å; Y604-H606 PolarHBondContact O-N 2.91Å; Y604-K607 VanDerWaalsContact O-CE 3.31Å; Y604-K607 WeakPolarHBondContact O-CE 3.48Å; Y604-G614 WeakPolarHBondContact CD1-O 3.4Å; Y604-G614 VanDerWaalsContact CG-C 3.49Å; Y604-G614 VanDerWaalsContact CG-CA 3.43Å; Y604-H616 AromaticContact CD1-CE1 3.35Å; Y604-H616 WeakPolarHBondContact CD1-CE1 3.33Å; Y604-H616 AromaticContact CD1-ND1 3.74Å; Y604-H616 AromaticContact CD1-NE2 3.68Å; Y604-H616 AromaticContact CE1-CE1 3.29Å; Y604-H616 WeakPolarHBondContact CE1-CE1 3.49Å; Y604-H616 AromaticContact CE1-NE2 3.29Å; Y604-H616 VanDerWaalsContact CE1-NE2 3.29Å; Y604-H616 WeakPolarHBondContact CE1-NE2 3.46Å
605	P	74.4	Confident	72.4	Confident	79 Å²	79	74.3 Å²	74.3	51%	0.513	38%	0.384	S	S	.	.	S	Bend	trans	-63.4	-16.4	-178.6	-25.1	35.4	0	0	0	114.7	D603	D603-P605 WeakPolarHBondContact O-CD 3.49Å
606	H	73.1	Confident	72	Confident	60 Å²	60	74.8 Å²	74.8	28%	0.278	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-128.3	82.6	-176.5	-54.1	-48.4	0	0	0	110	Y604 F615 P618 L621	Y604-H606 PolarHBondContact O-N 2.91Å; H606-F615 PolarHBondContact N-O 2.85Å; H606-F615 PolarHBondContact O-N 3Å; H606-P618 VanDerWaalsContact CD2-CD 3.48Å; H606-P618 WeakPolarHBondContact CD2-CD 3.44Å; H606-P618 WeakPolarHBondContact NE2-CD 3.46Å; H606-P618 WeakPolarHBondContact NE2-CG 3.22Å; H606-L621 HydrophobicContact CB-CB 4.13Å; H606-L621 HydrophobicContact CB-CD2 3.83Å
607	K	76.7	Confident	72.1	Confident	113 Å²	113	77.8 Å²	77.8	49%	0.491	40%	0.395	S	S	.	.			trans	-76.1	164.3	172.8	-68.5	154.1	-171.4	163.9	0	110.1	D603 Y604 K613 L621	D603-K607 WeakPolarHBondContact OD1-CE 3.34Å; D603-K607 IonicContact OD1-NZ 2.64Å; D603-K607 PolarHBondContact OD1-NZ 3.39Å; Y604-K607 VanDerWaalsContact O-CE 3.31Å; Y604-K607 WeakPolarHBondContact O-CE 3.48Å; K607-K613 CarbonylContact C-O 3.51Å; K607-L621 WeakPolarHBondContact O-CD1 3.44Å; K607-L621 WeakPolarHBondContact O-CD2 3.31Å
608	C	79	Confident	72.3	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.014	41%	0.41	C	S	.	.			trans	-122.2	104.7	-176.1	-177.5	0	0	0	0	111.2	M610 C611 D612 K613 F615 L621 H624	C608-M610 PolarHBondContact O-N 2.84Å; C608-C611 PolarHBondContact O-N 3.49Å; C608-D612 WeakPolarHBondContact O-CA 3.35Å; C608-D612 PolarHBondContact O-N 2.87Å; C608-K613 WeakPolarHBondContact CB-O 3.38Å; C608-K613 PolarHBondContact N-O 2.83Å; C608-F615 HydrophobicContact CB-CE2 4.37Å; C608-L621 HydrophobicContact CB-CD1 3.47Å; C608-L621 VanDerWaalsContact CB-CD1 3.47Å; C608-H624 PolarHBondContact SG-CD2 3.11Å
609	D	74.5	Confident	72.6	Confident	152 Å²	152	80.9 Å²	80.9	81%	0.813	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-13.3	-176.8	-13.1	-49.7	0	0	0	115.3
610	M	68.8	Low	73.1	Confident	123 Å²	123	80.6 Å²	80.6	61%	0.606	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-14.6	178.6	-60.8	-62.3	-51.6	0	0	115	C608 H628	C608-M610 PolarHBondContact O-N 2.84Å; M610-H628 HydrophobicContact CB-CB 4.4Å; M610-H628 HydrophobicContact CG-CB 4.37Å; M610-H628 PolarHBondContact O-NE2 3.39Å
611	C	72.9	Confident	73.6	Confident	37 Å²	37	79.1 Å²	79.1	25%	0.25	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-166.5	27.4	173.9	76.6	0	0	0	0	115.3	C608 K613 H624 H628	C608-C611 PolarHBondContact O-N 3.49Å; C611-K613 PolarHBondContact O-N 3.42Å; C611-K613 VanDerWaalsContact SG-CD 3.57Å; C611-H624 PolarHBondContact SG-NE2 2.79Å; C611-H624 VanDerWaalsContact SG-NE2 3.44Å; C611-H628 WeakPolarHBondContact CB-NE2 3.4Å; C611-H628 PolarHBondContact SG-NE2 3.39Å
612	D	68.3	Low	73.9	Confident	140 Å²	140	83 Å²	83	75%	0.749	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	15	173.8	-50.2	-50.7	0	0	0	117.1	C608 G614	C608-D612 WeakPolarHBondContact O-CA 3.35Å; C608-D612 PolarHBondContact O-N 2.87Å; D612-G614 PolarHBondContact O-N 3.43Å
613	K	72.4	Confident	74.4	Confident	117 Å²	117	83.8 Å²	83.8	51%	0.509	42%	0.42	S	S	.	.			trans	-76.5	121.1	179.3	-76	173.6	-167.7	153.4	0	110.7	K607 C608 C611 F615	K607-K613 CarbonylContact C-O 3.51Å; C608-K613 WeakPolarHBondContact CB-O 3.38Å; C608-K613 PolarHBondContact N-O 2.83Å; C611-K613 PolarHBondContact O-N 3.42Å; C611-K613 VanDerWaalsContact SG-CD 3.57Å; K613-F615 HydrophobicContact CB-CE2 3.7Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 VanDerWaalsContact O-CD2 3.28Å; K613-F615 WeakPolarHBondContact O-CD2 3.27Å; K613-F615 WeakPolarHBondContact O-CE2 3.41Å
614	G	76.5	Confident	74.9	Confident	18 Å²	18	81.1 Å²	81.1	19%	0.186	40%	0.404	C	S	.	.			trans	-80.3	143.1	173.6	0	0	0	0	0	113.6	Y604 D612	Y604-G614 WeakPolarHBondContact CD1-O 3.4Å; Y604-G614 VanDerWaalsContact CG-C 3.49Å; Y604-G614 VanDerWaalsContact CG-CA 3.43Å; D612-G614 PolarHBondContact O-N 3.43Å
615	F	78.1	Confident	74.9	Confident	41 Å²	41	79.6 Å²	79.6	18%	0.18	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-133.3	151.8	174.3	-60.4	-87.8	0	0	0	111	H606 C608 K613 E620 L621 H624	H606-F615 PolarHBondContact N-O 2.85Å; H606-F615 PolarHBondContact O-N 3Å; C608-F615 HydrophobicContact CB-CE2 4.37Å; K613-F615 HydrophobicContact CB-CE2 3.7Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 VanDerWaalsContact O-CD2 3.28Å; K613-F615 WeakPolarHBondContact O-CD2 3.27Å; K613-F615 WeakPolarHBondContact O-CE2 3.41Å; F615-E620 HydrophobicContact CB-CB 4.11Å; F615-E620 HydrophobicContact CD1-CB 3.9Å; F615-E620 HydrophobicContact CG-CB 4.29Å; F615-L621 HydrophobicContact CB-CB 4.26Å; F615-L621 HydrophobicContact CD2-CB 4.11Å; F615-L621 HydrophobicContact CD2-CD1 3.88Å; F615-L621 HydrophobicContact CE2-CD1 4.26Å; F615-L621 HydrophobicContact CG-CB 4.35Å; F615-H624 HydrophobicContact CE1-CB 4.09Å; F615-H624 HydrophobicContact CE2-CB 3.85Å; F615-H624 AromaticContact CE2-CD2 3.14Å; F615-H624 WeakPolarHBondContact CE2-CD2 3.41Å; F615-H624 AromaticContact CE2-CG 3.58Å; F615-H624 AromaticContact CE2-NE2 3.85Å; F615-H624 HydrophobicContact CZ-CB 3.54Å; F615-H624 AromaticContact CZ-CD2 3.33Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.3Å; F615-H624 AromaticContact CZ-CG 3.31Å; F615-H624 AromaticContact CZ-ND1 3.92Å; F615-H624 AromaticContact CZ-NE2 3.91Å
616	H	70.1	Confident	74.9	Confident	42 Å²	42	77.1 Å²	77.1	19%	0.194	39%	0.388	C	S	.	.	S	Bend	trans	-88.7	-6.2	178.7	-53.5	-70	0	0	0	113.7	R594 I597 S598 Y604	R594-H616 HydrophobicContact CG-CB 3.91Å; I597-H616 WeakPolarHBondContact CG2-ND1 3.26Å; S598-H616 VanDerWaalsContact CB-NE2 3.29Å; S598-H616 WeakPolarHBondContact CB-NE2 3.09Å; S598-H616 PolarHBondContact N-CE1 3.5Å; Y604-H616 AromaticContact CD1-CE1 3.35Å; Y604-H616 WeakPolarHBondContact CD1-CE1 3.33Å; Y604-H616 AromaticContact CD1-ND1 3.74Å; Y604-H616 AromaticContact CD1-NE2 3.68Å; Y604-H616 AromaticContact CE1-CE1 3.29Å; Y604-H616 WeakPolarHBondContact CE1-CE1 3.49Å; Y604-H616 AromaticContact CE1-NE2 3.29Å; Y604-H616 VanDerWaalsContact CE1-NE2 3.29Å; Y604-H616 WeakPolarHBondContact CE1-NE2 3.46Å
617	R	75	Confident	74.7	Confident	108 Å²	108	77.3 Å²	77.3	41%	0.408	40%	0.4	S	S	.	.	S	Bend	trans	-137.4	138.5	-179.2	-75.2	176.3	154.5	167.8	-5	111.7	S619 E620 L621	R617-S619 PolarHBondContact O-N 3.13Å; R617-S619 VanDerWaalsContact O-N 3.16Å; R617-E620 HydrophobicContact CB-CB 4.25Å; R617-E620 HydrophobicContact CB-CG 4.1Å; R617-E620 VanDerWaalsContact CD-OE1 3.31Å; R617-E620 WeakPolarHBondContact CD-OE1 3.39Å; R617-E620 PolarHBondContact O-N 3.21Å; R617-L621 PolarHBondContact O-N 3.19Å; R617-L621 VanDerWaalsContact O-N 3.09Å
618	P	75.8	Confident	74.3	Confident	81 Å²	81	76 Å²	76	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-30	172.1	-23.4	32.9	0	0	0	112.7	H606 E620 K622	H606-P618 VanDerWaalsContact CD2-CD 3.48Å; H606-P618 WeakPolarHBondContact CD2-CD 3.44Å; H606-P618 WeakPolarHBondContact NE2-CD 3.46Å; H606-P618 WeakPolarHBondContact NE2-CG 3.22Å; P618-E620 VanDerWaalsContact C-N 3.33Å; P618-K622 WeakPolarHBondContact O-CB 3.46Å; P618-K622 PolarHBondContact O-N 3.46Å
619	S	76.1	Confident	73.6	Confident	67 Å²	67	84 Å²	84	47%	0.469	43%	0.43	S	S	.	.	H	α-helix	trans	-73.3	-22.3	177.3	58.9	0	0	0	0	113.8	R617 K623	R617-S619 PolarHBondContact O-N 3.13Å; R617-S619 VanDerWaalsContact O-N 3.16Å; S619-K623 WeakPolarHBondContact O-CD 3.3Å; S619-K623 VanDerWaalsContact O-CG 3.27Å; S619-K623 WeakPolarHBondContact O-CG 3.45Å; S619-K623 PolarHBondContact O-N 3.15Å
620	E	76.9	Confident	72.8	Confident	61 Å²	61	79.3 Å²	79.3	29%	0.285	42%	0.418	S	S	.	.	H	α-helix	trans	-84	-47.2	173.7	-73.1	159.5	-163.2	0	0	110.2	F615 R617 P618 K622 K623 H624	F615-E620 HydrophobicContact CB-CB 4.11Å; F615-E620 HydrophobicContact CD1-CB 3.9Å; F615-E620 HydrophobicContact CG-CB 4.29Å; R617-E620 HydrophobicContact CB-CB 4.25Å; R617-E620 HydrophobicContact CB-CG 4.1Å; R617-E620 VanDerWaalsContact CD-OE1 3.31Å; R617-E620 WeakPolarHBondContact CD-OE1 3.39Å; R617-E620 PolarHBondContact O-N 3.21Å; P618-E620 VanDerWaalsContact C-N 3.33Å; E620-K622 VanDerWaalsContact C-N 3.29Å; E620-K622 PolarHBondContact O-N 3.14Å; E620-K623 WeakPolarHBondContact O-CB 3.47Å; E620-K623 PolarHBondContact O-N 3.29Å; E620-K623 VanDerWaalsContact O-N 3.1Å; E620-H624 PolarHBondContact O-N 3.39Å
621	L	79.9	Confident	72.1	Confident	35 Å²	35	79.9 Å²	79.9	18%	0.183	42%	0.417	C	S	.	.	H	α-helix	trans	-54.3	-45.9	169.7	176.7	63.4	0	0	0	111	H606 K607 C608 F615 R617 K623 H624 V625	H606-L621 HydrophobicContact CB-CB 4.13Å; H606-L621 HydrophobicContact CB-CD2 3.83Å; K607-L621 WeakPolarHBondContact O-CD1 3.44Å; K607-L621 WeakPolarHBondContact O-CD2 3.31Å; C608-L621 HydrophobicContact CB-CD1 3.47Å; C608-L621 VanDerWaalsContact CB-CD1 3.47Å; F615-L621 HydrophobicContact CB-CB 4.26Å; F615-L621 HydrophobicContact CD2-CB 4.11Å; F615-L621 HydrophobicContact CD2-CD1 3.88Å; F615-L621 HydrophobicContact CE2-CD1 4.26Å; F615-L621 HydrophobicContact CG-CB 4.35Å; R617-L621 PolarHBondContact O-N 3.19Å; R617-L621 VanDerWaalsContact O-N 3.09Å; L621-K623 VanDerWaalsContact C-N 3.31Å; L621-K623 PolarHBondContact O-N 2.9Å; L621-H624 CarbonylContact O-C 3.52Å; L621-H624 WeakPolarHBondContact O-CB 3.48Å; L621-H624 PolarHBondContact O-N 3.18Å; L621-V625 HydrophobicContact CD1-CG2 3.73Å; L621-V625 HydrophobicContact CG-CG2 4.08Å; L621-V625 WeakPolarHBondContact O-CG2 3.24Å; L621-V625 PolarHBondContact O-N 2.74Å
622	K	76.9	Confident	71.1	Confident	165 Å²	165	87.4 Å²	87.4	72%	0.717	45%	0.445	S	S	*	.	H	α-helix	trans	-64.9	-29.5	179.1	-171.2	168.4	-172.1	166.2	0	113.6	P618 E620 A626	P618-K622 WeakPolarHBondContact O-CB 3.46Å; P618-K622 PolarHBondContact O-N 3.46Å; E620-K622 VanDerWaalsContact C-N 3.29Å; E620-K622 PolarHBondContact O-N 3.14Å; K622-A626 VanDerWaalsContact O-CB 3.26Å; K622-A626 WeakPolarHBondContact O-CB 3.03Å; K622-A626 PolarHBondContact O-N 2.68Å
623	K	75.4	Confident	70.6	Confident	158 Å²	158	86.4 Å²	86.4	69%	0.687	44%	0.438	S	S	*	.	H	α-helix	trans	-71.6	-40.1	169.9	-76.4	169.1	-178.1	178.4	0	111.2	S619 E620 L621 A626 A627	S619-K623 WeakPolarHBondContact O-CD 3.3Å; S619-K623 VanDerWaalsContact O-CG 3.27Å; S619-K623 WeakPolarHBondContact O-CG 3.45Å; S619-K623 PolarHBondContact O-N 3.15Å; E620-K623 WeakPolarHBondContact O-CB 3.47Å; E620-K623 PolarHBondContact O-N 3.29Å; E620-K623 VanDerWaalsContact O-N 3.1Å; L621-K623 VanDerWaalsContact C-N 3.31Å; L621-K623 PolarHBondContact O-N 2.9Å; K623-A626 PolarHBondContact O-N 2.88Å; K623-A627 PolarHBondContact O-N 2.93Å
624	H	78.6	Confident	70.1	Confident	35 Å²	35	85 Å²	85	16%	0.162	43%	0.432	C	S	.	.	H	α-helix	trans	-69.8	-47	179.5	176.8	56	0	0	0	113.1	C608 C611 F615 E620 L621 A626 A627 H628	C608-H624 PolarHBondContact SG-CD2 3.11Å; C611-H624 PolarHBondContact SG-NE2 2.79Å; C611-H624 VanDerWaalsContact SG-NE2 3.44Å; F615-H624 HydrophobicContact CE1-CB 4.09Å; F615-H624 HydrophobicContact CE2-CB 3.85Å; F615-H624 AromaticContact CE2-CD2 3.14Å; F615-H624 WeakPolarHBondContact CE2-CD2 3.41Å; F615-H624 AromaticContact CE2-CG 3.58Å; F615-H624 AromaticContact CE2-NE2 3.85Å; F615-H624 HydrophobicContact CZ-CB 3.54Å; F615-H624 AromaticContact CZ-CD2 3.33Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.3Å; F615-H624 AromaticContact CZ-CG 3.31Å; F615-H624 AromaticContact CZ-ND1 3.92Å; F615-H624 AromaticContact CZ-NE2 3.91Å; E620-H624 PolarHBondContact O-N 3.39Å; L621-H624 CarbonylContact O-C 3.52Å; L621-H624 WeakPolarHBondContact O-CB 3.48Å; L621-H624 PolarHBondContact O-N 3.18Å; H624-A626 PolarHBondContact O-N 3.07Å; H624-A627 WeakPolarHBondContact O-CA 3.39Å; H624-A627 VanDerWaalsContact O-CB 3.27Å; H624-A627 WeakPolarHBondContact O-CB 3.36Å; H624-A627 PolarHBondContact O-N 3.32Å; H624-H628 AromaticContact CE1-CD2 3.78Å; H624-H628 AromaticContact NE2-CD2 3.72Å; H624-H628 PolarHBondContact O-N 3.45Å; H624-H628 VanDerWaalsContact O-N 3.16Å
625	V	74.6	Confident	69.6	Low	38 Å²	38	88.6 Å²	88.6	23%	0.23	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-31.2	172	174.1	0	0	0	0	111.3	L621 A627 H628 K629	L621-V625 HydrophobicContact CD1-CG2 3.73Å; L621-V625 HydrophobicContact CG-CG2 4.08Å; L621-V625 WeakPolarHBondContact O-CG2 3.24Å; L621-V625 PolarHBondContact O-N 2.74Å; V625-A627 VanDerWaalsContact C-N 3.27Å; V625-A627 PolarHBondContact O-N 2.81Å; V625-H628 PolarHBondContact O-N 2.27Å; V625-K629 HydrophobicContact CG1-CD 4.42Å; V625-K629 HydrophobicContact CG1-CG 4.41Å; V625-K629 PolarHBondContact O-N 3.02Å
626	A	72.8	Confident	69.1	Low	26 Å²	26	86.8 Å²	86.8	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-71.2	-17.7	172	0	0	0	0	0	114.2	K622 K623 H624 K631	K622-A626 VanDerWaalsContact O-CB 3.26Å; K622-A626 WeakPolarHBondContact O-CB 3.03Å; K622-A626 PolarHBondContact O-N 2.68Å; K623-A626 PolarHBondContact O-N 2.88Å; H624-A626 PolarHBondContact O-N 3.07Å; A626-K631 HydrophobicContact CB-CD 4.27Å
627	A	69	Low	69	Low	64 Å²	64	96.2 Å²	96.2	53%	0.529	47%	0.471	S	S	.	.	H	α-helix	trans	-80.6	-37.4	167.9	0	0	0	0	0	111.5	K623 H624 V625	K623-A627 PolarHBondContact O-N 2.93Å; H624-A627 WeakPolarHBondContact O-CA 3.39Å; H624-A627 VanDerWaalsContact O-CB 3.27Å; H624-A627 WeakPolarHBondContact O-CB 3.36Å; H624-A627 PolarHBondContact O-N 3.32Å; V625-A627 VanDerWaalsContact C-N 3.27Å; V625-A627 PolarHBondContact O-N 2.81Å
628	H	67.8	Low	68.4	Low	86 Å²	86	97 Å²	97	40%	0.398	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-47	170.9	-73.9	-71.1	0	0	0	112.5	M610 C611 H624 V625 G630	M610-H628 HydrophobicContact CB-CB 4.4Å; M610-H628 HydrophobicContact CG-CB 4.37Å; M610-H628 PolarHBondContact O-NE2 3.39Å; C611-H628 WeakPolarHBondContact CB-NE2 3.4Å; C611-H628 PolarHBondContact SG-NE2 3.39Å; H624-H628 AromaticContact CE1-CD2 3.78Å; H624-H628 AromaticContact NE2-CD2 3.72Å; H624-H628 PolarHBondContact O-N 3.45Å; H624-H628 VanDerWaalsContact O-N 3.16Å; V625-H628 PolarHBondContact O-N 2.27Å; H628-G630 PolarHBondContact O-N 2.43Å
629	K	65.4	Low	68.2	Low	170 Å²	170	95.3 Å²	95.3	74%	0.739	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	26.6	179.8	-68.2	-164.8	173.3	-172.3	0	114.3	V625 K631	V625-K629 HydrophobicContact CG1-CD 4.42Å; V625-K629 HydrophobicContact CG1-CG 4.41Å; V625-K629 PolarHBondContact O-N 3.02Å; K629-K631 VanDerWaalsContact C-N 3.34Å; K629-K631 PolarHBondContact O-N 3.09Å; K629-K631 VanDerWaalsContact O-N 3.07Å
630	G	58	Low	67.7	Low	53 Å²	53	98.4 Å²	98.4	55%	0.546	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.7	160.7	0	0	0	0	0	115.9	H628 K632	H628-G630 PolarHBondContact O-N 2.43Å; G630-K632 PolarHBondContact O-N 3.38Å
631	K	53.7	Low	67	Low	135 Å²	135	99.5 Å²	99.5	59%	0.587	48%	0.484	S	S	*	.			trans	-50.4	130	174.7	-84.2	-169.7	172.1	-173.1	0	109.9	A626 K629 M633	A626-K631 HydrophobicContact CB-CD 4.27Å; K629-K631 VanDerWaalsContact C-N 3.34Å; K629-K631 PolarHBondContact O-N 3.09Å; K629-K631 VanDerWaalsContact O-N 3.07Å; K631-M633 PolarHBondContact O-N 2.84Å
632	K	50.8	Low	66.2	Low	196 Å²	196	103.2 Å²	103.2	85%	0.852	50%	0.498	S	S	*	.			trans	-36.8	106.3	-177.3	-73.9	-171.9	176.7	-175.8	0	110.2	G630 H634	G630-K632 PolarHBondContact O-N 3.38Å; K632-H634 PolarHBondContact O-N 3.16Å; K632-H634 VanDerWaalsContact O-N 3.16Å
633	M	58.8	Low	66.1	Low	119 Å²	119	97.4 Å²	97.4	59%	0.586	48%	0.475	S	S	*	.			trans	-64.7	122.5	-174.8	-64.1	-166.6	-173.5	0	0	108.8	K631 Q635 K642 I643	K631-M633 PolarHBondContact O-N 2.84Å; M633-Q635 PolarHBondContact O-N 3.39Å; M633-Q635 VanDerWaalsContact O-N 3.13Å; M633-K642 HydrophobicContact CB-CB 3.96Å; M633-K642 HydrophobicContact SD-CB 4.09Å; M633-I643 CarbonylContact C-O 3.6Å
634	H	61.8	Low	65.4	Low	86 Å²	86	91.9 Å²	91.9	40%	0.398	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	112.5	175.7	-60.7	-89.9	0	0	0	107	K632 I643 L649	K632-H634 PolarHBondContact O-N 3.16Å; K632-H634 VanDerWaalsContact O-N 3.16Å; H634-I643 PolarHBondContact N-O 2.89Å; H634-I643 PolarHBondContact O-N 3.27Å; H634-I643 VanDerWaalsContact O-N 3.08Å; H634-L649 HydrophobicContact CB-CB 4.34Å; H634-L649 HydrophobicContact CB-CD2 3.51Å; H634-L649 HydrophobicContact CB-CG 4.49Å
635	Q	65.3	Low	65.1	Low	94 Å²	94	93.7 Å²	93.7	44%	0.439	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.7	178.6	-175.9	168.5	-9.9	0	0	110.1	M633 F641 K642	M633-Q635 PolarHBondContact O-N 3.39Å; M633-Q635 VanDerWaalsContact O-N 3.13Å; Q635-F641 WeakPolarHBondContact CA-O 3.42Å; Q635-K642 HydrophobicContact CB-CG 3.92Å; Q635-K642 HydrophobicContact CG-CG 3.87Å
636	C	69.1	Low	64.8	Low	4 Å²	4	95.1 Å²	95.1	3%	0.027	48%	0.479	C	S	.	.			trans	-66.8	132.7	169.9	-174.5	0	0	0	0	110.4	H638 C639 F641 L649 H652 H657	C636-H638 PolarHBondContact O-N 3.28Å; C636-H638 VanDerWaalsContact O-N 3.13Å; C636-H638 PolarHBondContact SG-N 3.05Å; C636-H638 VanDerWaalsContact SG-N 3.4Å; C636-C639 WeakPolarHBondContact CB-O 3.3Å; C636-F641 HydrophobicContact CB-CB 4.39Å; C636-F641 PolarHBondContact N-O 3.24Å; C636-L649 HydrophobicContact CB-CD1 3.86Å; C636-H652 WeakPolarHBondContact CB-NE2 3.4Å; C636-H652 PolarHBondContact SG-NE2 3Å; C636-H657 PolarHBondContact SG-CD2 2.77Å; C636-H657 PolarHBondContact SG-NE2 3.46Å; C636-H657 VanDerWaalsContact SG-NE2 3.42Å
637	R	66.4	Low	64.8	Low	240 Å²	240	101 Å²	101	91%	0.906	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.7	174.1	-81.5	-177.8	165.9	169.9	-6.2	114
638	H	63.6	Low	65	Low	125 Å²	125	99.4 Å²	99.4	58%	0.579	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-2.3	-172.8	-52.3	-68	0	0	0	114.2	C636 H657	C636-H638 PolarHBondContact O-N 3.28Å; C636-H638 VanDerWaalsContact O-N 3.13Å; C636-H638 PolarHBondContact SG-N 3.05Å; C636-H638 VanDerWaalsContact SG-N 3.4Å; H638-H657 HydrophobicContact CB-CB 4.23Å; H638-H657 VanDerWaalsContact CB-CE1 3.43Å; H638-H657 WeakPolarHBondContact CB-CE1 3.36Å; H638-H657 VanDerWaalsContact CB-CG 3.5Å; H638-H657 VanDerWaalsContact CB-ND1 3.26Å; H638-H657 WeakPolarHBondContact CB-ND1 3.44Å; H638-H657 PolarHBondContact O-CE1 3.24Å
639	C	70.4	Confident	65.1	Low	45 Å²	45	96.1 Å²	96.1	30%	0.304	47%	0.469	S	S	.	.	S	Bend	trans	-165.8	170.8	165.4	68.9	0	0	0	0	111.6	C636 F641 H652 H657	C636-C639 WeakPolarHBondContact CB-O 3.3Å; C639-F641 PolarHBondContact O-N 2.94Å; C639-H652 PolarHBondContact SG-CE1 2.65Å; C639-H652 PolarHBondContact SG-NE2 3.08Å; C639-H657 PolarHBondContact SG-NE2 3.17Å
640	D	65.6	Low	65.3	Low	132 Å²	132	91.1 Å²	91.1	71%	0.706	46%	0.455	S	S	*	.	S	Bend	trans	-70.4	11.2	-177.4	-57.3	-72.5	0	0	0	116	K642	D640-K642 PolarHBondContact O-N 3.33Å
641	F	63.8	Low	65.7	Low	84 Å²	84	93.4 Å²	93.4	37%	0.368	45%	0.448	S	S	.	.			trans	-67.3	116.3	176.3	-168.4	-98.6	0	0	0	110.9	Q635 C636 C639 I643 L649 H652	Q635-F641 WeakPolarHBondContact CA-O 3.42Å; C636-F641 HydrophobicContact CB-CB 4.39Å; C636-F641 PolarHBondContact N-O 3.24Å; C639-F641 PolarHBondContact O-N 2.94Å; F641-I643 HydrophobicContact CD1-CG2 4.43Å; F641-I643 HydrophobicContact CE1-CB 3.92Å; F641-I643 HydrophobicContact CE1-CD1 4.09Å; F641-I643 HydrophobicContact CE1-CG2 3.89Å; F641-I643 HydrophobicContact CZ-CB 4.46Å; F641-I643 HydrophobicContact CZ-CD1 4.01Å; F641-L649 HydrophobicContact CD1-CD1 4.44Å; F641-H652 WeakPolarHBondContact CB-CE1 3.29Å; F641-H652 HydrophobicContact CD1-CB 3.95Å; F641-H652 AromaticContact CD1-CD2 3.79Å; F641-H652 AromaticContact CD1-CE1 3.78Å; F641-H652 AromaticContact CD1-CG 3.4Å; F641-H652 VanDerWaalsContact CD1-CG 3.4Å; F641-H652 AromaticContact CD1-ND1 3.39Å; F641-H652 WeakPolarHBondContact CD1-ND1 3.4Å; F641-H652 HydrophobicContact CE1-CB 3.9Å; F641-H652 AromaticContact CE1-CG 3.83Å; F641-H652 AromaticContact CE1-ND1 3.87Å; F641-H652 AromaticContact CG-CE1 3.53Å; F641-H652 AromaticContact CG-CG 3.98Å; F641-H652 AromaticContact CG-ND1 3.5Å; F641-H652 WeakPolarHBondContact CG-ND1 3.14Å; F641-H652 AromaticContact CG-NE2 4Å
642	K	62.4	Low	66.7	Low	112 Å²	112	88 Å²	88	49%	0.487	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.2	-178.4	-72.2	165.4	-179.4	172	0	109	M633 Q635 D640	M633-K642 HydrophobicContact CB-CB 3.96Å; M633-K642 HydrophobicContact SD-CB 4.09Å; Q635-K642 HydrophobicContact CB-CG 3.92Å; Q635-K642 HydrophobicContact CG-CG 3.87Å; D640-K642 PolarHBondContact O-N 3.33Å
643	I	75.4	Confident	67.7	Low	44 Å²	44	81 Å²	81	23%	0.226	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.3	179.1	-163	156.4	0	0	0	113.1	M633 H634 F641 D645 V648 L649	M633-I643 CarbonylContact C-O 3.6Å; H634-I643 PolarHBondContact N-O 2.89Å; H634-I643 PolarHBondContact O-N 3.27Å; H634-I643 VanDerWaalsContact O-N 3.08Å; F641-I643 HydrophobicContact CD1-CG2 4.43Å; F641-I643 HydrophobicContact CE1-CB 3.92Å; F641-I643 HydrophobicContact CE1-CD1 4.09Å; F641-I643 HydrophobicContact CE1-CG2 3.89Å; F641-I643 HydrophobicContact CZ-CB 4.46Å; F641-I643 HydrophobicContact CZ-CD1 4.01Å; I643-D645 VanDerWaalsContact C-N 3.32Å; I643-D645 PolarHBondContact O-N 3.1Å; I643-V648 HydrophobicContact CD1-CB 3.94Å; I643-V648 HydrophobicContact CD1-CG1 3.56Å; I643-L649 HydrophobicContact CG2-CB 3.85Å
644	A	61.1	Low	68	Low	41 Å²	41	80.4 Å²	80.4	34%	0.339	40%	0.395	S	S	.	.	S	Bend	trans	-78.5	-8.8	-175.9	0	0	0	0	0	115
645	D	71.8	Confident	68.1	Low	74 Å²	74	77.5 Å²	77.5	40%	0.396	38%	0.384	S	S	.	.			trans	-111.7	114.1	-178.6	-174.9	-19.1	0	0	0	111	I643 F647 V648 L649	I643-D645 VanDerWaalsContact C-N 3.32Å; I643-D645 PolarHBondContact O-N 3.1Å; D645-F647 VanDerWaalsContact C-N 3.27Å; D645-F647 PolarHBondContact O-N 3.35Å; D645-F647 WeakPolarHBondContact OD1-CB 3.47Å; D645-F647 PolarHBondContact OD1-N 3.09Å; D645-V648 HydrophobicContact CB-CB 4.19Å; D645-V648 HydrophobicContact CB-CG2 3.89Å; D645-V648 PolarHBondContact O-N 2.85Å; D645-V648 VanDerWaalsContact O-N 3.13Å; D645-L649 PolarHBondContact O-N 3.34Å
646	P	67.9	Low	68.1	Low	68 Å²	68	76.9 Å²	76.9	44%	0.442	39%	0.386	S	S	.	.	H	α-helix	trans	-54.6	-36.8	175.8	-25.9	33.6	0	0	0	114.3	V648 L649 S650	P646-V648 VanDerWaalsContact C-N 3.31Å; P646-V648 PolarHBondContact O-N 3.07Å; P646-L649 PolarHBondContact O-N 3.42Å; P646-S650 PolarHBondContact O-N 2.74Å; P646-S650 PolarHBondContact O-OG 3.22Å
647	F	72.8	Confident	67.9	Low	150 Å²	150	79.5 Å²	79.5	66%	0.658	40%	0.398	S	S	*	.	H	α-helix	trans	-68.1	-35.8	-179.6	-175	-100.7	0	0	0	111.1	D645 R651	D645-F647 VanDerWaalsContact C-N 3.27Å; D645-F647 PolarHBondContact O-N 3.35Å; D645-F647 WeakPolarHBondContact OD1-CB 3.47Å; D645-F647 PolarHBondContact OD1-N 3.09Å; F647-R651 WeakPolarHBondContact O-CB 3.34Å; F647-R651 PolarHBondContact O-N 3.38Å
648	V	72.9	Confident	67.6	Low	29 Å²	29	70.6 Å²	70.6	18%	0.176	37%	0.37	C	S	.	.	H	α-helix	trans	-74.9	-31.6	174.6	-169.3	0	0	0	0	111.5	I643 D645 P646 H652	I643-V648 HydrophobicContact CD1-CB 3.94Å; I643-V648 HydrophobicContact CD1-CG1 3.56Å; D645-V648 HydrophobicContact CB-CB 4.19Å; D645-V648 HydrophobicContact CB-CG2 3.89Å; D645-V648 PolarHBondContact O-N 2.85Å; D645-V648 VanDerWaalsContact O-N 3.13Å; P646-V648 VanDerWaalsContact C-N 3.31Å; P646-V648 PolarHBondContact O-N 3.07Å; V648-H652 WeakPolarHBondContact O-CB 3.14Å; V648-H652 PolarHBondContact O-N 3.13Å
649	L	71	Confident	67.3	Low	18 Å²	18	73.9 Å²	73.9	9%	0.094	38%	0.383	C	S	.	.	H	α-helix	trans	-66.2	-48.3	170.2	-177.2	65.3	0	0	0	111.6	H634 C636 F641 I643 D645 P646 R651 H652 I653	H634-L649 HydrophobicContact CB-CB 4.34Å; H634-L649 HydrophobicContact CB-CD2 3.51Å; H634-L649 HydrophobicContact CB-CG 4.49Å; C636-L649 HydrophobicContact CB-CD1 3.86Å; F641-L649 HydrophobicContact CD1-CD1 4.44Å; I643-L649 HydrophobicContact CG2-CB 3.85Å; D645-L649 PolarHBondContact O-N 3.34Å; P646-L649 PolarHBondContact O-N 3.42Å; L649-R651 VanDerWaalsContact C-N 3.27Å; L649-R651 PolarHBondContact O-N 3.25Å; L649-H652 CarbonylContact O-C 3.43Å; L649-H652 WeakPolarHBondContact O-CA 3.33Å; L649-H652 WeakPolarHBondContact O-CB 3.15Å; L649-H652 PolarHBondContact O-N 2.69Å; L649-I653 HydrophobicContact CD1-CD1 4.3Å; L649-I653 HydrophobicContact CD1-CG1 4.28Å; L649-I653 HydrophobicContact CD2-CD1 4.2Å; L649-I653 HydrophobicContact CG-CD1 3.87Å; L649-I653 HydrophobicContact CG-CG1 4.29Å; L649-I653 WeakPolarHBondContact O-CG1 3.41Å; L649-I653 PolarHBondContact O-N 3.44Å
650	S	68.7	Low	66.6	Low	64 Å²	64	77.4 Å²	77.4	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-58	-42.7	176.8	-64.3	0	0	0	0	111	P646 H652 I653 L654	P646-S650 PolarHBondContact O-N 2.74Å; P646-S650 PolarHBondContact O-OG 3.22Å; S650-H652 VanDerWaalsContact C-N 3.33Å; S650-H652 PolarHBondContact O-N 2.98Å; S650-I653 PolarHBondContact O-N 3.16Å; S650-L654 VanDerWaalsContact O-CB 3.29Å; S650-L654 WeakPolarHBondContact O-CB 3.27Å; S650-L654 VanDerWaalsContact O-CG 3.29Å; S650-L654 WeakPolarHBondContact O-CG 3.26Å; S650-L654 PolarHBondContact O-N 3.13Å
651	R	67	Low	66.4	Low	102 Å²	102	73 Å²	73	39%	0.385	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-38.2	170.6	179.8	171.6	64	-159.7	-0.1	112.7	F647 L649 S655	F647-R651 WeakPolarHBondContact O-CB 3.34Å; F647-R651 PolarHBondContact O-N 3.38Å; L649-R651 VanDerWaalsContact C-N 3.27Å; L649-R651 PolarHBondContact O-N 3.25Å; R651-S655 WeakPolarHBondContact O-CB 3.36Å; R651-S655 PolarHBondContact O-N 3.02Å
652	H	74.1	Confident	66.4	Low	20 Å²	20	73.5 Å²	73.5	9%	0.093	39%	0.387	C	S	.	.	H	α-helix	trans	-66.8	-43.3	176.2	162	90.1	0	0	0	111.7	C636 C639 F641 V648 L649 S650 S655 V656 H657	C636-H652 WeakPolarHBondContact CB-NE2 3.4Å; C636-H652 PolarHBondContact SG-NE2 3Å; C639-H652 PolarHBondContact SG-CE1 2.65Å; C639-H652 PolarHBondContact SG-NE2 3.08Å; F641-H652 WeakPolarHBondContact CB-CE1 3.29Å; F641-H652 HydrophobicContact CD1-CB 3.95Å; F641-H652 AromaticContact CD1-CD2 3.79Å; F641-H652 AromaticContact CD1-CE1 3.78Å; F641-H652 AromaticContact CD1-CG 3.4Å; F641-H652 VanDerWaalsContact CD1-CG 3.4Å; F641-H652 AromaticContact CD1-ND1 3.39Å; F641-H652 WeakPolarHBondContact CD1-ND1 3.4Å; F641-H652 HydrophobicContact CE1-CB 3.9Å; F641-H652 AromaticContact CE1-CG 3.83Å; F641-H652 AromaticContact CE1-ND1 3.87Å; F641-H652 AromaticContact CG-CE1 3.53Å; F641-H652 AromaticContact CG-CG 3.98Å; F641-H652 AromaticContact CG-ND1 3.5Å; F641-H652 WeakPolarHBondContact CG-ND1 3.14Å; F641-H652 AromaticContact CG-NE2 4Å; V648-H652 WeakPolarHBondContact O-CB 3.14Å; V648-H652 PolarHBondContact O-N 3.13Å; L649-H652 CarbonylContact O-C 3.43Å; L649-H652 WeakPolarHBondContact O-CA 3.33Å; L649-H652 WeakPolarHBondContact O-CB 3.15Å; L649-H652 PolarHBondContact O-N 2.69Å; S650-H652 VanDerWaalsContact C-N 3.33Å; S650-H652 PolarHBondContact O-N 2.98Å; H652-S655 WeakPolarHBondContact O-CB 3.28Å; H652-S655 PolarHBondContact O-N 2.99Å; H652-V656 PolarHBondContact O-N 3.03Å; H652-H657 AromaticContact CE1-NE2 3.97Å; H652-H657 AromaticContact NE2-CD2 3.71Å; H652-H657 AromaticContact NE2-NE2 3.39Å; H652-H657 PolarHBondContact NE2-NE2 3.03Å
653	I	71.1	Confident	66.3	Low	50 Å²	50	71.8 Å²	71.8	26%	0.256	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-52.2	176.8	-65.9	166.5	0	0	0	110	L649 S650 S655 H657 T658	L649-I653 HydrophobicContact CD1-CD1 4.3Å; L649-I653 HydrophobicContact CD1-CG1 4.28Å; L649-I653 HydrophobicContact CD2-CD1 4.2Å; L649-I653 HydrophobicContact CG-CD1 3.87Å; L649-I653 HydrophobicContact CG-CG1 4.29Å; L649-I653 WeakPolarHBondContact O-CG1 3.41Å; L649-I653 PolarHBondContact O-N 3.44Å; S650-I653 PolarHBondContact O-N 3.16Å; I653-S655 PolarHBondContact O-N 2.88Å; I653-S655 VanDerWaalsContact O-N 3.16Å; I653-H657 PolarHBondContact O-N 2.89Å; I653-T658 PolarHBondContact O-N 3.23Å
654	L	66.2	Low	65.6	Low	107 Å²	107	76.7 Å²	76.7	56%	0.56	40%	0.395	S	S	*	.	H	α-helix	trans	-62.5	-19.4	176.1	-70.6	168.2	0	0	0	113.5	S650 T658	S650-L654 VanDerWaalsContact O-CB 3.29Å; S650-L654 WeakPolarHBondContact O-CB 3.27Å; S650-L654 VanDerWaalsContact O-CG 3.29Å; S650-L654 WeakPolarHBondContact O-CG 3.26Å; S650-L654 PolarHBondContact O-N 3.13Å; L654-T658 WeakPolarHBondContact CA-OG1 3.46Å; L654-T658 PolarHBondContact O-OG1 2.9Å
655	S	64.4	Low	65.8	Low	24 Å²	24	74.9 Å²	74.9	17%	0.168	38%	0.38	C	S	.	.	H	α-helix	trans	-86.8	-67.1	176.4	171.1	0	0	0	0	110.8	R651 H652 I653 R673	R651-S655 WeakPolarHBondContact O-CB 3.36Å; R651-S655 PolarHBondContact O-N 3.02Å; H652-S655 WeakPolarHBondContact O-CB 3.28Å; H652-S655 PolarHBondContact O-N 2.99Å; I653-S655 PolarHBondContact O-N 2.88Å; I653-S655 VanDerWaalsContact O-N 3.16Å; S655-R673 PolarHBondContact O-NE 2.89Å; S655-R673 PolarHBondContact O-NH2 3.33Å; S655-R673 WeakPolarHBondContact OG-CD 3.26Å; S655-R673 PolarHBondContact OG-NE 3.08Å; S655-R673 PolarHBondContact OG-NH1 3.17Å; S655-R673 VanDerWaalsContact OG-NH1 3.12Å
656	V	65.2	Low	65.3	Low	81 Å²	81	81.5 Å²	81.5	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-81.8	-30.6	-163.5	-178.3	0	0	0	0	112	H652	H652-V656 PolarHBondContact O-N 3.03Å
657	H	63.3	Low	65	Low	60 Å²	60	88.1 Å²	88.1	28%	0.278	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-36.8	-166	-61.3	-69.7	0	0	0	114.1	C636 H638 C639 H652 I653	C636-H657 PolarHBondContact SG-CD2 2.77Å; C636-H657 PolarHBondContact SG-NE2 3.46Å; C636-H657 VanDerWaalsContact SG-NE2 3.42Å; H638-H657 HydrophobicContact CB-CB 4.23Å; H638-H657 VanDerWaalsContact CB-CE1 3.43Å; H638-H657 WeakPolarHBondContact CB-CE1 3.36Å; H638-H657 VanDerWaalsContact CB-CG 3.5Å; H638-H657 VanDerWaalsContact CB-ND1 3.26Å; H638-H657 WeakPolarHBondContact CB-ND1 3.44Å; H638-H657 PolarHBondContact O-CE1 3.24Å; C639-H657 PolarHBondContact SG-NE2 3.17Å; H652-H657 AromaticContact CE1-NE2 3.97Å; H652-H657 AromaticContact NE2-CD2 3.71Å; H652-H657 AromaticContact NE2-NE2 3.39Å; H652-H657 PolarHBondContact NE2-NE2 3.03Å; I653-H657 PolarHBondContact O-N 2.89Å
658	T	60.8	Low	64.5	Low	53 Å²	53	83.4 Å²	83.4	33%	0.325	41%	0.406	S	S	.	.			trans	-83	131.7	168.7	56.4	0	0	0	0	111	I653 L654 D660	I653-T658 PolarHBondContact O-N 3.23Å; L654-T658 WeakPolarHBondContact CA-OG1 3.46Å; L654-T658 PolarHBondContact O-OG1 2.9Å; T658-D660 PolarHBondContact O-N 2.9Å
659	K	56.7	Low	63.8	Low	193 Å²	193	92.2 Å²	92.2	84%	0.839	44%	0.436	S	S	*	.			trans	-81.5	2.4	178.4	-72.6	179.5	-179.1	170.7	0	114.1	L661	K659-L661 WeakPolarHBondContact O-CD1 3.46Å; K659-L661 PolarHBondContact O-N 2.76Å
660	D	56.7	Low	63.2	Low	119 Å²	119	97.8 Å²	97.8	64%	0.636	46%	0.46	S	S	*	.			trans	-81	110.7	171.9	-75.8	-65.7	0	0	0	111.3	T658 P662	T658-D660 PolarHBondContact O-N 2.9Å; D660-P662 WeakPolarHBondContact O-CD 3.31Å
661	L	60.7	Low	62.7	Low	40 Å²	40	95.7 Å²	95.7	21%	0.209	45%	0.449	C	S	.	.			trans	-107.1	95	168.4	-67.5	94.9	0	0	0	106.9	K659 F663 G671 F672 R673	K659-L661 WeakPolarHBondContact O-CD1 3.46Å; K659-L661 PolarHBondContact O-N 2.76Å; L661-F663 PolarHBondContact O-N 2.87Å; L661-G671 VanDerWaalsContact CD2-O 3.25Å; L661-G671 WeakPolarHBondContact CD2-O 3.1Å; L661-F672 CarbonylContact C-O 3.5Å; L661-R673 HydrophobicContact CD2-CG 3.96Å; L661-R673 HydrophobicContact CG-CG 4.06Å
662	P	63.8	Low	62.8	Low	95 Å²	95	92.9 Å²	92.9	62%	0.617	44%	0.439	S	S	*	.	S	Bend	trans	-64	-29.7	-167.9	-22.8	34.2	0	0	0	112.9	D660 R664	D660-P662 WeakPolarHBondContact O-CD 3.31Å; P662-R664 PolarHBondContact O-N 3.16Å
663	F	61.3	Low	62.1	Low	76 Å²	76	97 Å²	97	33%	0.333	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	80.2	-173.6	-57.4	-74.2	0	0	0	110.3	L661 F672 Q675 L678	L661-F663 PolarHBondContact O-N 2.87Å; F663-F672 HydrophobicContact CB-CB 4.39Å; F663-F672 PolarHBondContact N-O 2.88Å; F663-F672 WeakPolarHBondContact O-CB 3.28Å; F663-F672 PolarHBondContact O-N 2.69Å; F663-Q675 HydrophobicContact CD1-CB 3.94Å; F663-Q675 HydrophobicContact CD1-CG 4.12Å; F663-Q675 HydrophobicContact CE1-CB 3.86Å; F663-Q675 HydrophobicContact CE1-CG 4.19Å; F663-Q675 HydrophobicContact CG-CB 4.37Å; F663-Q675 HydrophobicContact CZ-CB 4.21Å; F663-L678 HydrophobicContact CB-CB 4.03Å; F663-L678 HydrophobicContact CB-CD2 3.92Å; F663-L678 HydrophobicContact CB-CG 4.46Å
664	R	60.3	Low	61.7	Low	147 Å²	147	97.6 Å²	97.6	56%	0.555	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.5	178.5	-60.4	-173.3	-172.9	-108.9	1.1	112.4	P662 K666	P662-R664 PolarHBondContact O-N 3.16Å; R664-K666 PolarHBondContact O-N 3.27Å
665	C	65.3	Low	61.6	Low	2 Å²	2	97.4 Å²	97.4	1%	0.014	45%	0.452	C	S	.	.			trans	-67.1	116.7	171.1	177.8	0	0	0	0	110.6	R667 C668 R669 K670 F672 L678 M682 H685	C665-R667 PolarHBondContact O-N 3.42Å; C665-R667 PolarHBondContact SG-N 3.42Å; C665-R667 VanDerWaalsContact SG-N 3.37Å; C665-C668 PolarHBondContact SG-N 2.78Å; C665-C668 VanDerWaalsContact SG-SG 3.6Å; C665-R669 WeakPolarHBondContact O-CA 3.29Å; C665-R669 PolarHBondContact O-N 2.74Å; C665-K670 WeakPolarHBondContact CB-O 3.34Å; C665-K670 PolarHBondContact N-O 2.9Å; C665-F672 HydrophobicContact CB-CE2 4.34Å; C665-L678 HydrophobicContact CB-CD1 4.17Å; C665-M682 HydrophobicContact CB-CE 3.76Å; C665-M682 WeakPolarHBondContact SG-CE 3.31Å; C665-H685 PolarHBondContact SG-NE2 3.05Å; C665-H685 VanDerWaalsContact SG-NE2 3.39Å
666	K	62.2	Low	62	Low	214 Å²	214	99 Å²	99	93%	0.93	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.4	175.2	-65.4	-170.6	178	-174.2	0	113.1	R664	R664-K666 PolarHBondContact O-N 3.27Å
667	R	59.9	Low	62.2	Low	206 Å²	206	98.3 Å²	98.3	78%	0.777	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-27.9	-174.3	-161.9	172.9	179.3	104.1	-3.6	115.4	C665	C665-R667 PolarHBondContact O-N 3.42Å; C665-R667 PolarHBondContact SG-N 3.42Å; C665-R667 VanDerWaalsContact SG-N 3.37Å
668	C	62.6	Low	62.7	Low	51 Å²	51	96.8 Å²	96.8	35%	0.345	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	12.8	177.9	74.1	0	0	0	0	115.4	C665 K670 H681 H685	C665-C668 PolarHBondContact SG-N 2.78Å; C665-C668 VanDerWaalsContact SG-SG 3.6Å; C668-K670 PolarHBondContact O-N 3.17Å; C668-H681 PolarHBondContact SG-NE2 3.07Å; C668-H685 PolarHBondContact SG-CE1 3.43Å; C668-H685 PolarHBondContact SG-NE2 3.19Å; C668-H685 VanDerWaalsContact SG-NE2 3.39Å
669	R	58.4	Low	63.2	Low	215 Å²	215	99.1 Å²	99.1	81%	0.811	45%	0.454	S	S	*	.			trans	58.9	-3.6	175.4	-57.9	-174.6	179.4	-167.6	-0	117.2	C665 G671	C665-R669 WeakPolarHBondContact O-CA 3.29Å; C665-R669 PolarHBondContact O-N 2.74Å; R669-G671 PolarHBondContact O-N 2.96Å
670	K	58.6	Low	63.8	Low	134 Å²	134	97.5 Å²	97.5	58%	0.583	45%	0.447	S	S	*	.			trans	-54.6	129.1	170	-70.8	-174.6	178.4	-178.2	0	110.2	C665 C668 F672	C665-K670 WeakPolarHBondContact CB-O 3.34Å; C665-K670 PolarHBondContact N-O 2.9Å; C668-K670 PolarHBondContact O-N 3.17Å; K670-F672 HydrophobicContact CB-CE2 3.69Å; K670-F672 HydrophobicContact CB-CZ 4Å; K670-F672 WeakPolarHBondContact O-CD2 3.16Å; K670-F672 VanDerWaalsContact O-CE2 3.28Å; K670-F672 WeakPolarHBondContact O-CE2 3.36Å
671	G	58.4	Low	64.6	Low	21 Å²	21	93 Å²	93	22%	0.216	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	149.5	174.6	0	0	0	0	0	112.1	L661 R669	L661-G671 VanDerWaalsContact CD2-O 3.25Å; L661-G671 WeakPolarHBondContact CD2-O 3.1Å; R669-G671 PolarHBondContact O-N 2.96Å
672	F	68.1	Low	64.6	Low	42 Å²	42	94.1 Å²	94.1	18%	0.184	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.5	172.7	-64.1	-88.4	0	0	0	109.9	L661 F663 C665 K670 E677 L678 H681	L661-F672 CarbonylContact C-O 3.5Å; F663-F672 HydrophobicContact CB-CB 4.39Å; F663-F672 PolarHBondContact N-O 2.88Å; F663-F672 WeakPolarHBondContact O-CB 3.28Å; F663-F672 PolarHBondContact O-N 2.69Å; C665-F672 HydrophobicContact CB-CE2 4.34Å; K670-F672 HydrophobicContact CB-CE2 3.69Å; K670-F672 HydrophobicContact CB-CZ 4Å; K670-F672 WeakPolarHBondContact O-CD2 3.16Å; K670-F672 VanDerWaalsContact O-CE2 3.28Å; K670-F672 WeakPolarHBondContact O-CE2 3.36Å; F672-E677 HydrophobicContact CB-CB 4.2Å; F672-E677 HydrophobicContact CD1-CB 4.11Å; F672-L678 HydrophobicContact CB-CB 4.12Å; F672-L678 HydrophobicContact CD2-CD1 3.65Å; F672-L678 HydrophobicContact CE2-CD1 4.35Å; F672-L678 HydrophobicContact CG-CB 4.42Å; F672-L678 HydrophobicContact CG-CD1 4.34Å; F672-H681 HydrophobicContact CD1-CB 4.31Å; F672-H681 HydrophobicContact CE1-CB 3.75Å; F672-H681 AromaticContact CE1-CG 3.87Å; F672-H681 HydrophobicContact CE2-CB 4.01Å; F672-H681 AromaticContact CE2-CD2 3.04Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.48Å; F672-H681 AromaticContact CE2-CG 3.62Å; F672-H681 AromaticContact CE2-NE2 3.73Å; F672-H681 HydrophobicContact CZ-CB 3.61Å; F672-H681 AromaticContact CZ-CD2 3.11Å; F672-H681 WeakPolarHBondContact CZ-CD2 3.34Å; F672-H681 AromaticContact CZ-CG 3.23Å; F672-H681 AromaticContact CZ-ND1 3.86Å; F672-H681 AromaticContact CZ-NE2 3.69Å
673	R	59.4	Low	64.8	Low	107 Å²	107	96 Å²	96	40%	0.404	43%	0.425	S	S	.	.	S	Bend	trans	-90	-19.3	-173.2	-69.7	141	173.3	167.6	-0.7	112	S655 L661 E677	S655-R673 PolarHBondContact O-NE 2.89Å; S655-R673 PolarHBondContact O-NH2 3.33Å; S655-R673 WeakPolarHBondContact OG-CD 3.26Å; S655-R673 PolarHBondContact OG-NE 3.08Å; S655-R673 PolarHBondContact OG-NH1 3.17Å; S655-R673 VanDerWaalsContact OG-NH1 3.12Å; L661-R673 HydrophobicContact CD2-CG 3.96Å; L661-R673 HydrophobicContact CG-CG 4.06Å; R673-E677 PolarHBondContact N-OE2 3.14Å; R673-E677 VanDerWaalsContact N-OE2 3.11Å
674	Q	62.4	Low	64.9	Low	62 Å²	62	95.8 Å²	95.8	29%	0.29	43%	0.43	S	S	.	.	S	Bend	trans	-131.1	148	173.9	-58.6	176.5	69	0	0	111.7	S676 E677 L678	Q674-S676 WeakPolarHBondContact CB-OG 3.38Å; Q674-S676 PolarHBondContact O-N 3.28Å; Q674-S676 PolarHBondContact OE1-OG 2.86Å; Q674-E677 HydrophobicContact CB-CB 4.33Å; Q674-E677 HydrophobicContact CB-CG 4.01Å; Q674-E677 PolarHBondContact N-OE2 3.06Å; Q674-E677 PolarHBondContact NE2-OE1 3.38Å; Q674-E677 WeakPolarHBondContact O-CB 3.47Å; Q674-E677 PolarHBondContact O-N 2.84Å; Q674-E677 VanDerWaalsContact O-N 3.17Å; Q674-L678 PolarHBondContact O-N 3.03Å
675	Q	65.4	Low	65	Low	104 Å²	104	91.8 Å²	91.8	49%	0.486	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-27.8	171.6	-157.6	-158.9	43.6	0	0	112	F663 L678 K679	F663-Q675 HydrophobicContact CD1-CB 3.94Å; F663-Q675 HydrophobicContact CD1-CG 4.12Å; F663-Q675 HydrophobicContact CE1-CB 3.86Å; F663-Q675 HydrophobicContact CE1-CG 4.19Å; F663-Q675 HydrophobicContact CG-CB 4.37Å; F663-Q675 HydrophobicContact CZ-CB 4.21Å; Q675-L678 PolarHBondContact O-N 2.81Å; Q675-K679 WeakPolarHBondContact O-CB 3.23Å; Q675-K679 WeakPolarHBondContact O-CG 3.3Å; Q675-K679 PolarHBondContact O-N 3.38Å
676	S	71.9	Confident	64.7	Low	58 Å²	58	95.4 Å²	95.4	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-40.6	174.5	57.9	0	0	0	0	112.6	Q674 K679 K680	Q674-S676 WeakPolarHBondContact CB-OG 3.38Å; Q674-S676 PolarHBondContact O-N 3.28Å; Q674-S676 PolarHBondContact OE1-OG 2.86Å; S676-K679 PolarHBondContact O-N 3.29Å; S676-K680 WeakPolarHBondContact O-CG 3.41Å; S676-K680 PolarHBondContact O-N 3.08Å
677	E	70.6	Confident	64.3	Low	66 Å²	66	87.9 Å²	87.9	31%	0.308	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-42.8	171.7	-66.4	164.9	-174.2	0	0	110.8	F672 R673 Q674 K679 K680 H681	F672-E677 HydrophobicContact CB-CB 4.2Å; F672-E677 HydrophobicContact CD1-CB 4.11Å; R673-E677 PolarHBondContact N-OE2 3.14Å; R673-E677 VanDerWaalsContact N-OE2 3.11Å; Q674-E677 HydrophobicContact CB-CB 4.33Å; Q674-E677 HydrophobicContact CB-CG 4.01Å; Q674-E677 PolarHBondContact N-OE2 3.06Å; Q674-E677 PolarHBondContact NE2-OE1 3.38Å; Q674-E677 WeakPolarHBondContact O-CB 3.47Å; Q674-E677 PolarHBondContact O-N 2.84Å; Q674-E677 VanDerWaalsContact O-N 3.17Å; E677-K679 PolarHBondContact O-N 3.3Å; E677-K680 PolarHBondContact O-N 2.94Å; E677-H681 WeakPolarHBondContact O-CB 3.46Å; E677-H681 PolarHBondContact O-N 3.36Å
678	L	72.7	Confident	63.9	Low	28 Å²	28	87.7 Å²	87.7	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-59.5	-46.8	173.3	-177.2	68.7	0	0	0	110.9	F663 C665 F672 Q674 Q675 K680 H681 M682	F663-L678 HydrophobicContact CB-CB 4.03Å; F663-L678 HydrophobicContact CB-CD2 3.92Å; F663-L678 HydrophobicContact CB-CG 4.46Å; C665-L678 HydrophobicContact CB-CD1 4.17Å; F672-L678 HydrophobicContact CB-CB 4.12Å; F672-L678 HydrophobicContact CD2-CD1 3.65Å; F672-L678 HydrophobicContact CE2-CD1 4.35Å; F672-L678 HydrophobicContact CG-CB 4.42Å; F672-L678 HydrophobicContact CG-CD1 4.34Å; Q674-L678 PolarHBondContact O-N 3.03Å; Q675-L678 PolarHBondContact O-N 2.81Å; L678-K680 PolarHBondContact O-N 3.18Å; L678-H681 CarbonylContact O-C 3.41Å; L678-H681 WeakPolarHBondContact O-CA 3.29Å; L678-H681 PolarHBondContact O-N 3.04Å; L678-H681 VanDerWaalsContact O-N 3.09Å; L678-M682 HydrophobicContact CD1-CE 3.4Å; L678-M682 VanDerWaalsContact CD1-CE 3.4Å; L678-M682 HydrophobicContact CD1-SD 4.25Å; L678-M682 HydrophobicContact CG-CE 4.11Å; L678-M682 HydrophobicContact CG-CG 4.44Å; L678-M682 WeakPolarHBondContact O-CG 3.35Å; L678-M682 PolarHBondContact O-N 3.47Å
679	K	71.8	Confident	63.4	Low	102 Å²	102	92.5 Å²	92.5	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-59.2	-42.9	176.1	-78	178	179.3	-177.7	0	111.6	Q675 S676 E677 H681 M682 K683	Q675-K679 WeakPolarHBondContact O-CB 3.23Å; Q675-K679 WeakPolarHBondContact O-CG 3.3Å; Q675-K679 PolarHBondContact O-N 3.38Å; S676-K679 PolarHBondContact O-N 3.29Å; E677-K679 PolarHBondContact O-N 3.3Å; K679-H681 VanDerWaalsContact C-N 3.35Å; K679-H681 PolarHBondContact O-N 3.42Å; K679-M682 PolarHBondContact O-N 3.44Å; K679-K683 PolarHBondContact O-N 2.89Å
680	K	69.1	Low	63.6	Low	158 Å²	158	86.2 Å²	86.2	69%	0.687	43%	0.426	S	S	*	.	H	α-helix	trans	-62	-39.4	172.5	-73.6	177	-179.2	-177.6	0	112.2	S676 E677 L678 K683	S676-K680 WeakPolarHBondContact O-CG 3.41Å; S676-K680 PolarHBondContact O-N 3.08Å; E677-K680 PolarHBondContact O-N 2.94Å; L678-K680 PolarHBondContact O-N 3.18Å; K680-K683 WeakPolarHBondContact O-CB 3.15Å; K680-K683 PolarHBondContact O-N 3.47Å
681	H	72.8	Confident	63.8	Low	26 Å²	26	84 Å²	84	12%	0.12	42%	0.415	C	S	.	.	H	α-helix	trans	-71.4	-33.9	175.2	-179.5	50.9	0	0	0	113	C668 F672 E677 L678 K679 K683 T684 H685	C668-H681 PolarHBondContact SG-NE2 3.07Å; F672-H681 HydrophobicContact CD1-CB 4.31Å; F672-H681 HydrophobicContact CE1-CB 3.75Å; F672-H681 AromaticContact CE1-CG 3.87Å; F672-H681 HydrophobicContact CE2-CB 4.01Å; F672-H681 AromaticContact CE2-CD2 3.04Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.48Å; F672-H681 AromaticContact CE2-CG 3.62Å; F672-H681 AromaticContact CE2-NE2 3.73Å; F672-H681 HydrophobicContact CZ-CB 3.61Å; F672-H681 AromaticContact CZ-CD2 3.11Å; F672-H681 WeakPolarHBondContact CZ-CD2 3.34Å; F672-H681 AromaticContact CZ-CG 3.23Å; F672-H681 AromaticContact CZ-ND1 3.86Å; F672-H681 AromaticContact CZ-NE2 3.69Å; E677-H681 WeakPolarHBondContact O-CB 3.46Å; E677-H681 PolarHBondContact O-N 3.36Å; L678-H681 CarbonylContact O-C 3.41Å; L678-H681 WeakPolarHBondContact O-CA 3.29Å; L678-H681 PolarHBondContact O-N 3.04Å; L678-H681 VanDerWaalsContact O-N 3.09Å; K679-H681 VanDerWaalsContact C-N 3.35Å; K679-H681 PolarHBondContact O-N 3.42Å; H681-K683 PolarHBondContact O-N 2.97Å; H681-T684 PolarHBondContact CE1-OG1 3.48Å; H681-T684 PolarHBondContact ND1-OG1 2.9Å; H681-T684 WeakPolarHBondContact O-CA 3.29Å; H681-T684 WeakPolarHBondContact O-CB 3.02Å; H681-T684 PolarHBondContact O-N 3.07Å; H681-T684 PolarHBondContact O-OG1 3.31Å; H681-H685 AromaticContact CD2-NE2 3.73Å; H681-H685 AromaticContact CE1-CD2 3.84Å; H681-H685 AromaticContact CE1-NE2 3.23Å; H681-H685 PolarHBondContact CE1-NE2 2.94Å; H681-H685 AromaticContact NE2-CD2 3.7Å; H681-H685 AromaticContact NE2-NE2 2.95Å; H681-H685 PolarHBondContact NE2-NE2 3.47Å; H681-H685 PolarHBondContact O-CD2 3.07Å; H681-H685 PolarHBondContact O-N 3.03Å
682	M	62.5	Low	64.2	Low	62 Å²	62	89.5 Å²	89.5	31%	0.305	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-35.4	173.9	-65.2	-45.1	83.4	0	0	110.6	C665 L678 K679 T684 H685 S686	C665-M682 HydrophobicContact CB-CE 3.76Å; C665-M682 WeakPolarHBondContact SG-CE 3.31Å; L678-M682 HydrophobicContact CD1-CE 3.4Å; L678-M682 VanDerWaalsContact CD1-CE 3.4Å; L678-M682 HydrophobicContact CD1-SD 4.25Å; L678-M682 HydrophobicContact CG-CE 4.11Å; L678-M682 HydrophobicContact CG-CG 4.44Å; L678-M682 WeakPolarHBondContact O-CG 3.35Å; L678-M682 PolarHBondContact O-N 3.47Å; K679-M682 PolarHBondContact O-N 3.44Å; M682-T684 PolarHBondContact O-N 2.93Å; M682-H685 WeakPolarHBondContact O-CA 3.4Å; M682-H685 WeakPolarHBondContact O-CB 3.09Å; M682-H685 PolarHBondContact O-N 2.81Å; M682-S686 PolarHBondContact O-N 2.93Å; M682-S686 PolarHBondContact O-OG 3.41Å
683	K	67.6	Low	64.2	Low	135 Å²	135	87.8 Å²	87.8	59%	0.587	43%	0.427	S	S	*	.	H	α-helix	trans	-60.6	-22.3	170.8	-66.9	-174.2	176	-167.9	0	114	K679 K680 H681 S686	K679-K683 PolarHBondContact O-N 2.89Å; K680-K683 WeakPolarHBondContact O-CB 3.15Å; K680-K683 PolarHBondContact O-N 3.47Å; H681-K683 PolarHBondContact O-N 2.97Å; K683-S686 WeakPolarHBondContact CA-OG 3.35Å
684	T	62.2	Low	64.5	Low	71 Å²	71	91 Å²	91	44%	0.436	45%	0.447	S	S	.	.	H	α-helix	trans	-81.1	-16.4	171.6	69.5	0	0	0	0	113.7	H681 M682	H681-T684 PolarHBondContact CE1-OG1 3.48Å; H681-T684 PolarHBondContact ND1-OG1 2.9Å; H681-T684 WeakPolarHBondContact O-CA 3.29Å; H681-T684 WeakPolarHBondContact O-CB 3.02Å; H681-T684 PolarHBondContact O-N 3.07Å; H681-T684 PolarHBondContact O-OG1 3.31Å; M682-T684 PolarHBondContact O-N 2.93Å
685	H	62.6	Low	64.7	Low	64 Å²	64	95.8 Å²	95.8	30%	0.296	46%	0.464	S	S	.	.	H	α-helix	trans	-89.9	-30.7	170.6	-70.2	-81.4	0	0	0	112.8	C665 C668 H681 M682 G687	C665-H685 PolarHBondContact SG-NE2 3.05Å; C665-H685 VanDerWaalsContact SG-NE2 3.39Å; C668-H685 PolarHBondContact SG-CE1 3.43Å; C668-H685 PolarHBondContact SG-NE2 3.19Å; C668-H685 VanDerWaalsContact SG-NE2 3.39Å; H681-H685 AromaticContact CD2-NE2 3.73Å; H681-H685 AromaticContact CE1-CD2 3.84Å; H681-H685 AromaticContact CE1-NE2 3.23Å; H681-H685 PolarHBondContact CE1-NE2 2.94Å; H681-H685 AromaticContact NE2-CD2 3.7Å; H681-H685 AromaticContact NE2-NE2 2.95Å; H681-H685 PolarHBondContact NE2-NE2 3.47Å; H681-H685 PolarHBondContact O-CD2 3.07Å; H681-H685 PolarHBondContact O-N 3.03Å; M682-H685 WeakPolarHBondContact O-CA 3.4Å; M682-H685 WeakPolarHBondContact O-CB 3.09Å; M682-H685 PolarHBondContact O-N 2.81Å; H685-G687 VanDerWaalsContact C-N 3.28Å; H685-G687 PolarHBondContact O-N 2.79Å
686	S	58.6	Low	65.2	Low	77 Å²	77	93.1 Å²	93.1	54%	0.538	46%	0.456	S	S	.	.	S	Bend	trans	-88.4	16	-178	64.2	0	0	0	0	114.6	M682 K683 R688	M682-S686 PolarHBondContact O-N 2.93Å; M682-S686 PolarHBondContact O-OG 3.41Å; K683-S686 WeakPolarHBondContact CA-OG 3.35Å; S686-R688 PolarHBondContact O-N 3.36Å
687	G	55.3	Low	64.9	Low	56 Å²	56	99.1 Å²	99.1	58%	0.577	48%	0.478	S	S	*	.			trans	65.3	-8.5	162	0	0	0	0	0	118.3	H685 K689	H685-G687 VanDerWaalsContact C-N 3.28Å; H685-G687 PolarHBondContact O-N 2.79Å; G687-K689 PolarHBondContact O-N 3.14Å
688	R	51	Low	64.7	Low	202 Å²	202	101.1 Å²	101.1	76%	0.762	48%	0.483	S	S	*	.			trans	-63.7	101.1	-175.8	-70.2	-163.6	179.7	-155	1.5	111	S686 V690	S686-R688 PolarHBondContact O-N 3.36Å; R688-V690 WeakPolarHBondContact O-CG2 3.45Å; R688-V690 PolarHBondContact O-N 2.87Å
689	K	52.7	Low	64.3	Low	152 Å²	152	101.3 Å²	101.3	66%	0.661	49%	0.487	S	S	*	.			trans	-60.4	107.5	168.6	-66	168.4	172.6	-174.5	0	108.2	G687 S699	G687-K689 PolarHBondContact O-N 3.14Å; K689-S699 WeakPolarHBondContact CD-OG 3.22Å; K689-S699 VanDerWaalsContact CE-OG 3.29Å; K689-S699 WeakPolarHBondContact CE-OG 3.13Å
690	V	63	Low	64.2	Low	83 Å²	83	97.3 Å²	97.3	50%	0.503	47%	0.471	S	S	.	.			trans	-92.4	-25.3	-177.5	-174.7	0	0	0	0	111.5	R688 T700	R688-V690 WeakPolarHBondContact O-CG2 3.45Å; R688-V690 PolarHBondContact O-N 2.87Å; V690-T700 PolarHBondContact N-O 3.37Å
691	Y	61	Low	63.9	Low	89 Å²	89	92.9 Å²	92.9	35%	0.349	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	109.5	-178.4	-54.8	-77.7	0	0	0	110.1	S699 T700 A703 F706	Y691-S699 CarbonylContact O-C 3.54Å; Y691-S699 VanDerWaalsContact O-CA 3.31Å; Y691-S699 WeakPolarHBondContact O-CA 3.34Å; Y691-T700 PolarHBondContact N-O 3.36Å; Y691-T700 PolarHBondContact O-N 3.05Å; Y691-A703 HydrophobicContact CD2-CB 4.41Å; Y691-A703 HydrophobicContact CE1-CB 4.16Å; Y691-A703 HydrophobicContact CE2-CB 3.82Å; Y691-A703 VanDerWaalsContact CE2-N 3.29Å; Y691-F706 HydrophobicContact CD1-CD1 4.33Å; Y691-F706 HydrophobicContact CG-CB 4.05Å; Y691-F706 HydrophobicContact CG-CD1 4.47Å; Y691-F706 HydrophobicContact CG-CG 4.24Å
692	Q	66.9	Low	63.8	Low	136 Å²	136	94.9 Å²	94.9	64%	0.636	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.6	174.1	173.9	171.6	-13.3	0	0	109.2	F706	Q692-F706 WeakPolarHBondContact O-CE2 3.26Å; Q692-F706 WeakPolarHBondContact O-CZ 3.44Å
693	C	68.9	Low	64.2	Low	5 Å²	5	93.6 Å²	93.6	3%	0.034	47%	0.468	C	S	.	.			trans	-84.2	137.1	170.8	-162.2	0	0	0	0	111.1	Y695 C696 Y698 F706 H709	C693-Y695 PolarHBondContact SG-N 3.44Å; C693-C696 WeakPolarHBondContact CB-O 3.27Å; C693-Y698 PolarHBondContact N-O 2.91Å; C693-F706 HydrophobicContact CB-CE2 4.08Å; C693-H709 WeakPolarHBondContact CB-NE2 3.45Å; C693-H709 PolarHBondContact SG-NE2 2.32Å
694	E	66.5	Low	64.3	Low	176 Å²	176	90.5 Å²	90.5	82%	0.822	46%	0.464	S	S	*	.	S	Bend	trans	-73	-21.8	173.6	-65.3	161.3	167.6	0	0	111.2
695	Y	66.6	Low	64.7	Low	161 Å²	161	87.4 Å²	87.4	63%	0.631	45%	0.446	S	S	*	.	S	Bend	trans	-101.9	-6.2	-174.8	-52.6	-65	0	0	0	114.6	C693 H714	C693-Y695 PolarHBondContact SG-N 3.44Å; Y695-H714 WeakPolarHBondContact CB-CE1 3.16Å; Y695-H714 VanDerWaalsContact CB-ND1 3.27Å; Y695-H714 WeakPolarHBondContact CB-ND1 3.47Å; Y695-H714 HydrophobicContact CD2-CB 4.11Å; Y695-H714 PolarHBondContact O-CE1 2.93Å
696	C	74.3	Confident	65.2	Low	49 Å²	49	86.7 Å²	86.7	33%	0.331	44%	0.442	S	S	.	.	S	Bend	trans	-167.1	168.4	167.2	71.1	0	0	0	0	112.3	C693 Y698 H709 H714	C693-C696 WeakPolarHBondContact CB-O 3.27Å; C696-Y698 PolarHBondContact O-N 3.35Å; C696-H709 PolarHBondContact SG-CE1 2.98Å; C696-H709 PolarHBondContact SG-NE2 3.19Å; C696-H714 PolarHBondContact SG-NE2 3.3Å; C696-H714 VanDerWaalsContact SG-NE2 3.35Å
697	E	66.1	Low	65.8	Low	183 Å²	183	90 Å²	90	86%	0.855	45%	0.446	S	S	*	.	S	Bend	trans	-64.3	-3.3	-176.2	-56.5	179.1	167.1	0	0	115.7	S699	E697-S699 PolarHBondContact O-N 2.85Å
698	Y	67.5	Low	66.6	Low	109 Å²	109	91.3 Å²	91.3	43%	0.427	43%	0.434	S	S	.	.			trans	-66.8	128	-178.4	-173.5	-97	0	0	0	111.9	C693 C696 T700 H709	C693-Y698 PolarHBondContact N-O 2.91Å; C696-Y698 PolarHBondContact O-N 3.35Å; Y698-T700 HydrophobicContact CD1-CG2 3.98Å; Y698-T700 HydrophobicContact CE1-CG2 3.17Å; Y698-H709 HydrophobicContact CD1-CB 3.65Å; Y698-H709 AromaticContact CD1-CD2 3.49Å; Y698-H709 VanDerWaalsContact CD1-CD2 3.49Å; Y698-H709 WeakPolarHBondContact CD1-CD2 3.31Å; Y698-H709 AromaticContact CD1-CE1 3.74Å; Y698-H709 AromaticContact CD1-CG 3.14Å; Y698-H709 AromaticContact CD1-ND1 3.31Å; Y698-H709 VanDerWaalsContact CD1-ND1 3.31Å; Y698-H709 WeakPolarHBondContact CD1-ND1 3.49Å; Y698-H709 AromaticContact CD1-NE2 3.85Å; Y698-H709 HydrophobicContact CE1-CB 3.4Å; Y698-H709 AromaticContact CE1-CG 3.49Å; Y698-H709 VanDerWaalsContact CE1-CG 3.49Å; Y698-H709 AromaticContact CE1-ND1 3.83Å; Y698-H709 AromaticContact CG-CE1 3.77Å; Y698-H709 AromaticContact CG-CG 3.93Å; Y698-H709 AromaticContact CG-ND1 3.6Å
699	S	62.8	Low	67.8	Low	32 Å²	32	82.1 Å²	82.1	22%	0.224	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.9	-175.6	42.3	0	0	0	0	111.8	K689 Y691 E697	K689-S699 WeakPolarHBondContact CD-OG 3.22Å; K689-S699 VanDerWaalsContact CE-OG 3.29Å; K689-S699 WeakPolarHBondContact CE-OG 3.13Å; Y691-S699 CarbonylContact O-C 3.54Å; Y691-S699 VanDerWaalsContact O-CA 3.31Å; Y691-S699 WeakPolarHBondContact O-CA 3.34Å; E697-S699 PolarHBondContact O-N 2.85Å
700	T	70.7	Confident	68.7	Low	18 Å²	18	76.3 Å²	76.3	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.8	-173.1	67.7	0	0	0	0	113.5	V690 Y691 Y698 D702	V690-T700 PolarHBondContact N-O 3.37Å; Y691-T700 PolarHBondContact N-O 3.36Å; Y691-T700 PolarHBondContact O-N 3.05Å; Y698-T700 HydrophobicContact CD1-CG2 3.98Å; Y698-T700 HydrophobicContact CE1-CG2 3.17Å; T700-D702 PolarHBondContact OG1-O 3.1Å
701	T	62.3	Low	69.2	Low	64 Å²	64	74.3 Å²	74.3	39%	0.393	36%	0.363	S	S	.	.	S	Bend	trans	-103.7	3.9	176.5	56.4	0	0	0	0	113.3
702	D	71.4	Confident	69.6	Low	68 Å²	68	71 Å²	71	36%	0.364	35%	0.353	S	S	.	.			trans	-135.9	122	-175.8	163.9	37	0	0	0	110.7	T700 S704 G705 F706	T700-D702 PolarHBondContact OG1-O 3.1Å; D702-S704 PolarHBondContact O-N 3.37Å; D702-S704 VanDerWaalsContact O-N 3.14Å; D702-S704 VanDerWaalsContact OD1-CB 3.26Å; D702-S704 WeakPolarHBondContact OD1-CB 3.14Å; D702-S704 PolarHBondContact OD1-N 3.05Å; D702-S704 PolarHBondContact OD1-OG 3.09Å; D702-S704 VanDerWaalsContact OD2-CB 3.27Å; D702-S704 WeakPolarHBondContact OD2-CB 3.47Å; D702-G705 WeakPolarHBondContact O-CA 3.49Å; D702-G705 PolarHBondContact O-N 3.47Å; D702-G705 PolarHBondContact OD2-N 3.25Å; D702-F706 PolarHBondContact O-N 3.1Å
703	A	69.4	Low	69.6	Low	35 Å²	35	69 Å²	69	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-56.7	-29.5	177	0	0	0	0	0	112.9	Y691 K707	Y691-A703 HydrophobicContact CD2-CB 4.41Å; Y691-A703 HydrophobicContact CE1-CB 4.16Å; Y691-A703 HydrophobicContact CE2-CB 3.82Å; Y691-A703 VanDerWaalsContact CE2-N 3.29Å; A703-K707 WeakPolarHBondContact O-CB 3.38Å; A703-K707 WeakPolarHBondContact O-CG 3.31Å; A703-K707 PolarHBondContact O-N 3.31Å
704	S	70.6	Confident	69.8	Low	71 Å²	71	71.6 Å²	71.6	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-74.4	-31.3	177.6	-24.6	0	0	0	0	111.9	D702 R708	D702-S704 PolarHBondContact O-N 3.37Å; D702-S704 VanDerWaalsContact O-N 3.14Å; D702-S704 VanDerWaalsContact OD1-CB 3.26Å; D702-S704 WeakPolarHBondContact OD1-CB 3.14Å; D702-S704 PolarHBondContact OD1-N 3.05Å; D702-S704 PolarHBondContact OD1-OG 3.09Å; D702-S704 VanDerWaalsContact OD2-CB 3.27Å; D702-S704 WeakPolarHBondContact OD2-CB 3.47Å; S704-R708 VanDerWaalsContact O-CB 3.26Å; S704-R708 WeakPolarHBondContact O-CB 3.38Å; S704-R708 PolarHBondContact O-N 3.41Å; S704-R708 PolarHBondContact O-NH2 3.08Å
705	G	70.6	Confident	69.9	Low	6 Å²	6	67.1 Å²	67.1	6%	0.062	34%	0.342	C	S	.	.	H	α-helix	trans	-70	-46	168.9	0	0	0	0	0	111.6	D702 R708 H709	D702-G705 WeakPolarHBondContact O-CA 3.49Å; D702-G705 PolarHBondContact O-N 3.47Å; D702-G705 PolarHBondContact OD2-N 3.25Å; G705-R708 PolarHBondContact O-N 2.93Å; G705-H709 WeakPolarHBondContact O-CB 3.41Å; G705-H709 PolarHBondContact O-N 2.99Å
706	F	73.4	Confident	69.9	Low	49 Å²	49	66.1 Å²	66.1	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-55.2	176.6	-179.2	-116.6	0	0	0	113	Y691 Q692 C693 D702 R708 H709 V710	Y691-F706 HydrophobicContact CD1-CD1 4.33Å; Y691-F706 HydrophobicContact CG-CB 4.05Å; Y691-F706 HydrophobicContact CG-CD1 4.47Å; Y691-F706 HydrophobicContact CG-CG 4.24Å; Q692-F706 WeakPolarHBondContact O-CE2 3.26Å; Q692-F706 WeakPolarHBondContact O-CZ 3.44Å; C693-F706 HydrophobicContact CB-CE2 4.08Å; D702-F706 PolarHBondContact O-N 3.1Å; F706-R708 VanDerWaalsContact C-N 3.28Å; F706-R708 PolarHBondContact O-N 2.9Å; F706-H709 WeakPolarHBondContact O-CB 3.47Å; F706-H709 PolarHBondContact O-N 2.93Å; F706-V710 HydrophobicContact CD2-CG2 4.24Å; F706-V710 HydrophobicContact CE1-CG2 4.2Å; F706-V710 HydrophobicContact CE2-CG2 3.75Å; F706-V710 HydrophobicContact CZ-CG2 3.74Å; F706-V710 PolarHBondContact O-N 2.82Å
707	K	71.2	Confident	69.5	Low	145 Å²	145	67.9 Å²	67.9	63%	0.63	35%	0.347	S	S	*	.	H	α-helix	trans	-56.8	-42.6	178.1	-73.9	-176.7	177.3	-169.3	0	111.9	A703 H709 V710 I711	A703-K707 WeakPolarHBondContact O-CB 3.38Å; A703-K707 WeakPolarHBondContact O-CG 3.31Å; A703-K707 PolarHBondContact O-N 3.31Å; K707-H709 VanDerWaalsContact C-N 3.35Å; K707-H709 PolarHBondContact O-N 2.93Å; K707-V710 PolarHBondContact O-N 3.35Å; K707-I711 VanDerWaalsContact O-CB 3.3Å; K707-I711 WeakPolarHBondContact O-CB 3.4Å; K707-I711 WeakPolarHBondContact O-CD1 3.36Å; K707-I711 VanDerWaalsContact O-CG1 3.29Å; K707-I711 WeakPolarHBondContact O-CG1 3.43Å; K707-I711 PolarHBondContact O-N 3.3Å
708	R	70.7	Confident	69.9	Low	85 Å²	85	62.1 Å²	62.1	32%	0.321	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.6	-173	-165.6	-46.1	119.6	15.2	112	S704 G705 F706 S712	S704-R708 VanDerWaalsContact O-CB 3.26Å; S704-R708 WeakPolarHBondContact O-CB 3.38Å; S704-R708 PolarHBondContact O-N 3.41Å; S704-R708 PolarHBondContact O-NH2 3.08Å; G705-R708 PolarHBondContact O-N 2.93Å; F706-R708 VanDerWaalsContact C-N 3.28Å; F706-R708 PolarHBondContact O-N 2.9Å; R708-S712 WeakPolarHBondContact O-CB 3.41Å; R708-S712 PolarHBondContact O-N 3.02Å; R708-S712 PolarHBondContact O-OG 3.39Å
709	H	76.4	Confident	70	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-53.7	177.4	159.1	73.7	0	0	0	111.5	C693 C696 Y698 G705 F706 K707 I711 S712 I713 H714	C693-H709 WeakPolarHBondContact CB-NE2 3.45Å; C693-H709 PolarHBondContact SG-NE2 2.32Å; C696-H709 PolarHBondContact SG-CE1 2.98Å; C696-H709 PolarHBondContact SG-NE2 3.19Å; Y698-H709 HydrophobicContact CD1-CB 3.65Å; Y698-H709 AromaticContact CD1-CD2 3.49Å; Y698-H709 VanDerWaalsContact CD1-CD2 3.49Å; Y698-H709 WeakPolarHBondContact CD1-CD2 3.31Å; Y698-H709 AromaticContact CD1-CE1 3.74Å; Y698-H709 AromaticContact CD1-CG 3.14Å; Y698-H709 AromaticContact CD1-ND1 3.31Å; Y698-H709 VanDerWaalsContact CD1-ND1 3.31Å; Y698-H709 WeakPolarHBondContact CD1-ND1 3.49Å; Y698-H709 AromaticContact CD1-NE2 3.85Å; Y698-H709 HydrophobicContact CE1-CB 3.4Å; Y698-H709 AromaticContact CE1-CG 3.49Å; Y698-H709 VanDerWaalsContact CE1-CG 3.49Å; Y698-H709 AromaticContact CE1-ND1 3.83Å; Y698-H709 AromaticContact CG-CE1 3.77Å; Y698-H709 AromaticContact CG-CG 3.93Å; Y698-H709 AromaticContact CG-ND1 3.6Å; G705-H709 WeakPolarHBondContact O-CB 3.41Å; G705-H709 PolarHBondContact O-N 2.99Å; F706-H709 WeakPolarHBondContact O-CB 3.47Å; F706-H709 PolarHBondContact O-N 2.93Å; K707-H709 VanDerWaalsContact C-N 3.35Å; K707-H709 PolarHBondContact O-N 2.93Å; H709-I711 VanDerWaalsContact C-N 3.32Å; H709-I711 PolarHBondContact O-N 3.04Å; H709-S712 WeakPolarHBondContact CA-OG 3.41Å; H709-S712 PolarHBondContact O-N 3.26Å; H709-S712 PolarHBondContact O-OG 3.19Å; H709-I713 PolarHBondContact O-N 3Å; H709-H714 AromaticContact CE1-NE2 3.65Å; H709-H714 AromaticContact NE2-CD2 3.66Å; H709-H714 AromaticContact NE2-NE2 3.49Å; H709-H714 PolarHBondContact NE2-NE2 3.13Å
710	V	73.1	Confident	70.3	Confident	31 Å²	31	62.1 Å²	62.1	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-45.9	179.3	175.1	0	0	0	0	111.1	F706 K707 S712 H714 T715	F706-V710 HydrophobicContact CD2-CG2 4.24Å; F706-V710 HydrophobicContact CE1-CG2 4.2Å; F706-V710 HydrophobicContact CE2-CG2 3.75Å; F706-V710 HydrophobicContact CZ-CG2 3.74Å; F706-V710 PolarHBondContact O-N 2.82Å; K707-V710 PolarHBondContact O-N 3.35Å; V710-S712 VanDerWaalsContact C-N 3.33Å; V710-S712 PolarHBondContact O-N 3.44Å; V710-H714 PolarHBondContact O-N 2.93Å; V710-T715 HydrophobicContact CG1-CG2 4.15Å; V710-T715 PolarHBondContact O-N 2.51Å
711	I	72.2	Confident	70.6	Confident	41 Å²	41	67.9 Å²	67.9	21%	0.21	34%	0.344	C	S	.	.	I	π-helix	trans	-58.5	-42.6	172.7	-76.6	165.5	0	0	0	112	K707 H709 K716 D717 P719	K707-I711 VanDerWaalsContact O-CB 3.3Å; K707-I711 WeakPolarHBondContact O-CB 3.4Å; K707-I711 WeakPolarHBondContact O-CD1 3.36Å; K707-I711 VanDerWaalsContact O-CG1 3.29Å; K707-I711 WeakPolarHBondContact O-CG1 3.43Å; K707-I711 PolarHBondContact O-N 3.3Å; H709-I711 VanDerWaalsContact C-N 3.32Å; H709-I711 PolarHBondContact O-N 3.04Å; I711-K716 WeakPolarHBondContact O-CA 3.38Å; I711-K716 PolarHBondContact O-N 3.32Å; I711-D717 VanDerWaalsContact CG2-O 3.3Å; I711-D717 WeakPolarHBondContact CG2-O 3.4Å; I711-P719 HydrophobicContact CD1-CG 4.01Å
712	S	70.1	Confident	71.4	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.14	33%	0.326	C	S	.	.	I	π-helix	trans	-81.4	-24.8	-170.4	68.2	0	0	0	0	115.7	R708 H709 V710	R708-S712 WeakPolarHBondContact O-CB 3.41Å; R708-S712 PolarHBondContact O-N 3.02Å; R708-S712 PolarHBondContact O-OG 3.39Å; H709-S712 WeakPolarHBondContact CA-OG 3.41Å; H709-S712 PolarHBondContact O-N 3.26Å; H709-S712 PolarHBondContact O-OG 3.19Å; V710-S712 VanDerWaalsContact C-N 3.33Å; V710-S712 PolarHBondContact O-N 3.44Å
713	I	67.3	Low	71.5	Confident	92 Å²	92	68 Å²	68	47%	0.472	34%	0.338	S	S	.	.	I	π-helix	trans	-114	-46.6	-174.8	-57	-162.7	0	0	0	111.3	H709	H709-I713 PolarHBondContact O-N 3Å
714	H	71.8	Confident	71.7	Confident	61 Å²	61	72.4 Å²	72.4	28%	0.282	35%	0.348	S	S	.	.	I	π-helix	trans	-96.9	-54	-167	-60.5	-67.8	0	0	0	113.2	Y695 C696 H709 V710	Y695-H714 WeakPolarHBondContact CB-CE1 3.16Å; Y695-H714 VanDerWaalsContact CB-ND1 3.27Å; Y695-H714 WeakPolarHBondContact CB-ND1 3.47Å; Y695-H714 HydrophobicContact CD2-CB 4.11Å; Y695-H714 PolarHBondContact O-CE1 2.93Å; C696-H714 PolarHBondContact SG-NE2 3.3Å; C696-H714 VanDerWaalsContact SG-NE2 3.35Å; H709-H714 AromaticContact CE1-NE2 3.65Å; H709-H714 AromaticContact NE2-CD2 3.66Å; H709-H714 AromaticContact NE2-NE2 3.49Å; H709-H714 PolarHBondContact NE2-NE2 3.13Å; V710-H714 PolarHBondContact O-N 2.93Å
715	T	69.1	Low	72.1	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.503	34%	0.341	S	S	.	.	I	π-helix	trans	-86.3	-29.3	-178.3	71	0	0	0	0	113.7	V710 D717	V710-T715 HydrophobicContact CG1-CG2 4.15Å; V710-T715 PolarHBondContact O-N 2.51Å; T715-D717 PolarHBondContact O-N 3.07Å; T715-D717 PolarHBondContact OG1-N 2.85Å
716	K	66.5	Low	72.2	Confident	140 Å²	140	79.5 Å²	79.5	61%	0.609	37%	0.374	S	S	*	.			trans	53.8	15.2	-171.3	-61.8	173.9	-175	165.8	0	114.3	I711 Y718	I711-K716 WeakPolarHBondContact O-CA 3.38Å; I711-K716 PolarHBondContact O-N 3.32Å; K716-Y718 HydrophobicContact CB-CE2 4.4Å; K716-Y718 WeakPolarHBondContact O-CD2 3.33Å; K716-Y718 WeakPolarHBondContact O-CE2 3.46Å; K716-Y718 PolarHBondContact O-N 3.39Å
717	D	66.9	Low	72.3	Confident	85 Å²	85	83.2 Å²	83.2	46%	0.455	39%	0.39	S	S	.	.			trans	-83.6	105.6	175.6	-178.1	38.3	0	0	0	110.4	I711 T715 P719 R721	I711-D717 VanDerWaalsContact CG2-O 3.3Å; I711-D717 WeakPolarHBondContact CG2-O 3.4Å; T715-D717 PolarHBondContact O-N 3.07Å; T715-D717 PolarHBondContact OG1-N 2.85Å; D717-P719 WeakPolarHBondContact O-CD 3.37Å; D717-R721 IonicContact OD1-NH2 3.02Å; D717-R721 PolarHBondContact OD1-NH2 2.84Å
718	Y	73.2	Confident	72.5	Confident	63 Å²	63	77.3 Å²	77.3	25%	0.247	37%	0.37	C	S	.	.			trans	-85.7	106.2	-177.7	-65.8	-86.7	0	0	0	110.3	K716 H720 R721 G728 R730	K716-Y718 HydrophobicContact CB-CE2 4.4Å; K716-Y718 WeakPolarHBondContact O-CD2 3.33Å; K716-Y718 WeakPolarHBondContact O-CE2 3.46Å; K716-Y718 PolarHBondContact O-N 3.39Å; Y718-H720 PolarHBondContact O-N 3.07Å; Y718-R721 WeakPolarHBondContact O-CG 3.25Å; Y718-G728 VanDerWaalsContact CB-CA 3.45Å; Y718-R730 HydrophobicContact CD1-CG 3.82Å; Y718-R730 HydrophobicContact CE1-CG 3.53Å
719	P	69.8	Low	72.8	Confident	73 Å²	73	74.5 Å²	74.5	47%	0.474	36%	0.361	S	S	.	.	S	Bend	trans	-73.3	-14.9	-171.4	-16.6	32.9	0	0	0	113.2	I711 D717	I711-P719 HydrophobicContact CD1-CG 4.01Å; D717-P719 WeakPolarHBondContact O-CD 3.37Å
720	H	70.1	Confident	72.5	Confident	67 Å²	67	79.4 Å²	79.4	31%	0.31	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	78.8	-177.3	-55.1	-50.1	0	0	0	109.6	Y718 F729 P732 K735	Y718-H720 PolarHBondContact O-N 3.07Å; H720-F729 WeakPolarHBondContact O-CB 3.31Å; H720-F729 PolarHBondContact O-N 3.19Å; H720-P732 VanDerWaalsContact CD2-CD 3.47Å; H720-P732 WeakPolarHBondContact CD2-CD 3.48Å; H720-K735 HydrophobicContact CB-CB 4.32Å; H720-K735 HydrophobicContact CB-CD 4.23Å
721	R	76.4	Confident	72.1	Confident	140 Å²	140	83.3 Å²	83.3	53%	0.528	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.3	172.4	-54.4	-173.6	-172.4	-148	3.1	109.5	D717 Y718 K727 K735	D717-R721 IonicContact OD1-NH2 3.02Å; D717-R721 PolarHBondContact OD1-NH2 2.84Å; Y718-R721 WeakPolarHBondContact O-CG 3.25Å; R721-K727 CarbonylContact C-O 3.59Å; R721-K727 WeakPolarHBondContact CA-O 3.36Å; R721-K735 WeakPolarHBondContact O-CD 3.3Å; R721-K735 VanDerWaalsContact O-CE 3.25Å; R721-K735 WeakPolarHBondContact O-CE 3.42Å; R721-K735 PolarHBondContact O-NZ 2.98Å
722	C	78.3	Confident	72.2	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.007	40%	0.402	C	S	.	.			trans	-74	128.2	169.5	178.8	0	0	0	0	109.1	Y724 C725 K726 K727 F729	C722-Y724 PolarHBondContact O-N 2.57Å; C722-C725 VanDerWaalsContact CB-SG 3.52Å; C722-K726 WeakPolarHBondContact O-CA 3.38Å; C722-K726 PolarHBondContact O-N 2.89Å; C722-K727 PolarHBondContact N-O 3.36Å; C722-F729 HydrophobicContact CB-CE2 4.07Å
723	E	74.7	Confident	72.4	Confident	132 Å²	132	86.9 Å²	86.9	62%	0.617	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-47.8	177.4	-74.6	85.4	-100.8	0	0	111.6	C725 K735	E723-C725 PolarHBondContact O-N 2.84Å; E723-K735 IonicContact OE1-NZ 3.83Å; E723-K735 PolarHBondContact OE1-NZ 2.87Å; E723-K735 IonicContact OE2-NZ 3.77Å
724	Y	73.7	Confident	72.9	Confident	128 Å²	128	85.1 Å²	85.1	50%	0.502	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.6	-172.2	-53.6	-80.6	0	0	0	114.9	C722 I739 H743 V746	C722-Y724 PolarHBondContact O-N 2.57Å; Y724-I739 HydrophobicContact CD2-CG1 4.5Å; Y724-I739 HydrophobicContact CE2-CG2 4.33Å; Y724-H743 VanDerWaalsContact CB-CE1 3.48Å; Y724-H743 WeakPolarHBondContact CB-CE1 3.27Å; Y724-H743 HydrophobicContact CD2-CB 4.08Å; Y724-H743 AromaticContact CD2-CD2 3.97Å; Y724-H743 AromaticContact CD2-CG 3.89Å; Y724-H743 HydrophobicContact CE2-CB 4.44Å; Y724-H743 HydrophobicContact CG-CB 4.35Å; Y724-H743 AromaticContact CG-CG 3.92Å; Y724-V746 HydrophobicContact CE1-CB 4.35Å; Y724-V746 HydrophobicContact CE1-CG1 3.93Å
725	C	77.9	Confident	73.2	Confident	53 Å²	53	83.8 Å²	83.8	36%	0.358	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	3.2	-174.2	74.4	0	0	0	0	114.4	C722 E723 K727 H738	C722-C725 VanDerWaalsContact CB-SG 3.52Å; E723-C725 PolarHBondContact O-N 2.84Å; C725-K727 PolarHBondContact O-N 2.68Å; C725-K727 VanDerWaalsContact SG-CB 3.56Å; C725-H738 PolarHBondContact SG-NE2 3.46Å
726	K	73.3	Confident	73.5	Confident	174 Å²	174	84.2 Å²	84.2	76%	0.757	40%	0.4	S	S	*	.			trans	57.3	-0.7	-179.2	-58.7	-178.6	-178.7	178.5	0	116.3	C722 G728	C722-K726 WeakPolarHBondContact O-CA 3.38Å; C722-K726 PolarHBondContact O-N 2.89Å; K726-G728 PolarHBondContact O-N 2.94Å
727	K	76.3	Confident	74	Confident	126 Å²	126	83.5 Å²	83.5	55%	0.548	40%	0.398	S	S	.	.			trans	-62.4	131.8	178.2	-171	167.6	-179.1	170.9	0	111.3	R721 C722 C725 F729	R721-K727 CarbonylContact C-O 3.59Å; R721-K727 WeakPolarHBondContact CA-O 3.36Å; C722-K727 PolarHBondContact N-O 3.36Å; C725-K727 PolarHBondContact O-N 2.68Å; C725-K727 VanDerWaalsContact SG-CB 3.56Å; K727-F729 HydrophobicContact CB-CE2 3.95Å; K727-F729 HydrophobicContact CB-CZ 4.14Å; K727-F729 HydrophobicContact CD-CZ 3.84Å; K727-F729 HydrophobicContact CG-CE2 3.98Å; K727-F729 HydrophobicContact CG-CZ 3.76Å; K727-F729 VanDerWaalsContact O-CD2 3.32Å; K727-F729 WeakPolarHBondContact O-CD2 3.21Å; K727-F729 WeakPolarHBondContact O-CE2 3.32Å
728	G	75.7	Confident	74.6	Confident	21 Å²	21	80.5 Å²	80.5	22%	0.216	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.6	-180	0	0	0	0	0	113.9	Y718 K726	Y718-G728 VanDerWaalsContact CB-CA 3.45Å; K726-G728 PolarHBondContact O-N 2.94Å
729	F	75.2	Confident	74.8	Confident	26 Å²	26	79 Å²	79	11%	0.114	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.3	177.9	-62.8	-83.4	0	0	0	112.3	H720 C722 K727 E734 K735 H738	H720-F729 WeakPolarHBondContact O-CB 3.31Å; H720-F729 PolarHBondContact O-N 3.19Å; C722-F729 HydrophobicContact CB-CE2 4.07Å; K727-F729 HydrophobicContact CB-CE2 3.95Å; K727-F729 HydrophobicContact CB-CZ 4.14Å; K727-F729 HydrophobicContact CD-CZ 3.84Å; K727-F729 HydrophobicContact CG-CE2 3.98Å; K727-F729 HydrophobicContact CG-CZ 3.76Å; K727-F729 VanDerWaalsContact O-CD2 3.32Å; K727-F729 WeakPolarHBondContact O-CD2 3.21Å; K727-F729 WeakPolarHBondContact O-CE2 3.32Å; F729-E734 HydrophobicContact CB-CB 4.05Å; F729-E734 HydrophobicContact CD1-CB 4Å; F729-E734 HydrophobicContact CG-CB 4.38Å; F729-K735 HydrophobicContact CB-CB 4.08Å; F729-K735 HydrophobicContact CD2-CB 3.93Å; F729-K735 HydrophobicContact CD2-CG 4.48Å; F729-K735 HydrophobicContact CG-CB 4.14Å; F729-H738 HydrophobicContact CE1-CB 3.71Å; F729-H738 AromaticContact CE1-CG 3.92Å; F729-H738 HydrophobicContact CE2-CB 4.05Å; F729-H738 AromaticContact CE2-CD2 3.52Å; F729-H738 AromaticContact CE2-CG 3.84Å; F729-H738 HydrophobicContact CZ-CB 3.44Å; F729-H738 VanDerWaalsContact CZ-CB 3.44Å; F729-H738 AromaticContact CZ-CD2 3.33Å; F729-H738 WeakPolarHBondContact CZ-CD2 3.14Å; F729-H738 AromaticContact CZ-CG 3.21Å; F729-H738 AromaticContact CZ-ND1 3.79Å; F729-H738 AromaticContact CZ-NE2 3.95Å
730	R	70.8	Confident	75	Confident	111 Å²	111	82 Å²	82	42%	0.419	39%	0.387	S	S	.	.	S	Bend	trans	-87.6	-14.6	-176	-53.7	174	-179.9	172.1	2.6	112.2	Y718 E734	Y718-R730 HydrophobicContact CD1-CG 3.82Å; Y718-R730 HydrophobicContact CE1-CG 3.53Å; R730-E734 WeakPolarHBondContact CA-OE2 3.44Å; R730-E734 WeakPolarHBondContact CB-OE2 3.29Å; R730-E734 PolarHBondContact N-OE2 2.99Å
731	R	65.6	Low	75.2	Confident	113 Å²	113	88.6 Å²	88.6	43%	0.426	41%	0.409	S	S	.	.	S	Bend	trans	-135.2	149.3	175	-53.5	-179.4	-147.9	-148.8	1.3	111.3	S733 E734 K735	R731-S733 PolarHBondContact O-N 2.94Å; R731-E734 HydrophobicContact CB-CB 4.16Å; R731-E734 HydrophobicContact CB-CG 3.9Å; R731-E734 VanDerWaalsContact CD-OE1 3.27Å; R731-E734 WeakPolarHBondContact CD-OE1 3.14Å; R731-E734 HydrophobicContact CG-CG 4.14Å; R731-E734 WeakPolarHBondContact CG-OE1 3.21Å; R731-E734 IonicContact CZ-OE1 3.72Å; R731-E734 PolarHBondContact N-OE2 3.47Å; R731-E734 VanDerWaalsContact N-OE2 3.09Å; R731-E734 IonicContact NE-OE1 2.69Å; R731-E734 PolarHBondContact NE-OE1 3.05Å; R731-E734 IonicContact NH2-OE1 2.7Å; R731-E734 PolarHBondContact O-N 3.01Å; R731-E734 VanDerWaalsContact O-N 3.1Å; R731-K735 PolarHBondContact O-N 3.48Å; R731-K735 VanDerWaalsContact O-N 3.1Å
732	P	73.4	Confident	75	Confident	72 Å²	72	88.1 Å²	88.1	47%	0.468	41%	0.412	S	S	.	.	H	α-helix	trans	-56.5	-37	166	-23.4	33.7	0	0	0	112.3	H720 E734 K735 N736	H720-P732 VanDerWaalsContact CD2-CD 3.47Å; H720-P732 WeakPolarHBondContact CD2-CD 3.48Å; P732-E734 VanDerWaalsContact C-N 3.33Å; P732-E734 PolarHBondContact O-N 2.9Å; P732-K735 PolarHBondContact O-N 3.43Å; P732-N736 WeakPolarHBondContact O-CB 3.33Å; P732-N736 PolarHBondContact O-N 3.04Å; P732-N736 PolarHBondContact O-OD1 3.36Å; P732-N736 VanDerWaalsContact O-OD1 3.14Å
733	S	75.1	Confident	74.6	Confident	64 Å²	64	89.7 Å²	89.7	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-67.9	-29.5	177	57.5	0	0	0	0	113.6	R731 Q737	R731-S733 PolarHBondContact O-N 2.94Å; S733-Q737 VanDerWaalsContact O-CB 3.3Å; S733-Q737 WeakPolarHBondContact O-CB 3.35Å; S733-Q737 VanDerWaalsContact O-CG 3.23Å; S733-Q737 WeakPolarHBondContact O-CG 3.37Å; S733-Q737 PolarHBondContact O-N 3.2Å
734	E	76.6	Confident	74.1	Confident	55 Å²	55	90.9 Å²	90.9	26%	0.257	42%	0.423	S	S	.	.	H	α-helix	trans	-73.8	-42.7	174.2	-70.4	163	-171.3	0	0	110.6	F729 R730 R731 P732 Q737 H738	F729-E734 HydrophobicContact CB-CB 4.05Å; F729-E734 HydrophobicContact CD1-CB 4Å; F729-E734 HydrophobicContact CG-CB 4.38Å; R730-E734 WeakPolarHBondContact CA-OE2 3.44Å; R730-E734 WeakPolarHBondContact CB-OE2 3.29Å; R730-E734 PolarHBondContact N-OE2 2.99Å; R731-E734 HydrophobicContact CB-CB 4.16Å; R731-E734 HydrophobicContact CB-CG 3.9Å; R731-E734 VanDerWaalsContact CD-OE1 3.27Å; R731-E734 WeakPolarHBondContact CD-OE1 3.14Å; R731-E734 HydrophobicContact CG-CG 4.14Å; R731-E734 WeakPolarHBondContact CG-OE1 3.21Å; R731-E734 IonicContact CZ-OE1 3.72Å; R731-E734 PolarHBondContact N-OE2 3.47Å; R731-E734 VanDerWaalsContact N-OE2 3.09Å; R731-E734 IonicContact NE-OE1 2.69Å; R731-E734 PolarHBondContact NE-OE1 3.05Å; R731-E734 IonicContact NH2-OE1 2.7Å; R731-E734 PolarHBondContact O-N 3.01Å; R731-E734 VanDerWaalsContact O-N 3.1Å; P732-E734 VanDerWaalsContact C-N 3.33Å; P732-E734 PolarHBondContact O-N 2.9Å; E734-Q737 PolarHBondContact O-N 3.49Å; E734-H738 WeakPolarHBondContact O-CB 3.44Å; E734-H738 PolarHBondContact O-N 3.35Å
735	K	78.1	Confident	73.3	Confident	33 Å²	33	94.1 Å²	94.1	14%	0.143	44%	0.442	C	S	.	.	H	α-helix	trans	-55.8	-50.4	169.7	170.2	177.7	171.1	168.5	0	110.9	H720 R721 E723 F729 R731 P732 H738 I739	H720-K735 HydrophobicContact CB-CB 4.32Å; H720-K735 HydrophobicContact CB-CD 4.23Å; R721-K735 WeakPolarHBondContact O-CD 3.3Å; R721-K735 VanDerWaalsContact O-CE 3.25Å; R721-K735 WeakPolarHBondContact O-CE 3.42Å; R721-K735 PolarHBondContact O-NZ 2.98Å; E723-K735 IonicContact OE1-NZ 3.83Å; E723-K735 PolarHBondContact OE1-NZ 2.87Å; E723-K735 IonicContact OE2-NZ 3.77Å; F729-K735 HydrophobicContact CB-CB 4.08Å; F729-K735 HydrophobicContact CD2-CB 3.93Å; F729-K735 HydrophobicContact CD2-CG 4.48Å; F729-K735 HydrophobicContact CG-CB 4.14Å; R731-K735 PolarHBondContact O-N 3.48Å; R731-K735 VanDerWaalsContact O-N 3.1Å; P732-K735 PolarHBondContact O-N 3.43Å; K735-H738 WeakPolarHBondContact O-CB 3.48Å; K735-H738 PolarHBondContact O-N 3.35Å; K735-I739 HydrophobicContact CD-CD1 4.39Å; K735-I739 HydrophobicContact CG-CD1 3.76Å; K735-I739 HydrophobicContact CG-CG1 4.49Å; K735-I739 WeakPolarHBondContact O-CG1 3.35Å; K735-I739 PolarHBondContact O-N 3.32Å
736	N	75.4	Confident	72.3	Confident	92 Å²	92	95.8 Å²	95.8	49%	0.492	45%	0.451	S	S	.	.	H	α-helix	trans	-67.6	-40.2	-176.9	-67.4	10.8	0	0	0	111.7	P732 H738 I739 M740	P732-N736 WeakPolarHBondContact O-CB 3.33Å; P732-N736 PolarHBondContact O-N 3.04Å; P732-N736 PolarHBondContact O-OD1 3.36Å; P732-N736 VanDerWaalsContact O-OD1 3.14Å; N736-H738 VanDerWaalsContact C-N 3.29Å; N736-H738 PolarHBondContact O-N 3.47Å; N736-I739 PolarHBondContact O-N 3.02Å; N736-M740 WeakPolarHBondContact O-CB 3.45Å; N736-M740 WeakPolarHBondContact O-CG 3.19Å; N736-M740 PolarHBondContact O-N 3.49Å
737	Q	77.7	Confident	71.3	Confident	124 Å²	124	90.3 Å²	90.3	58%	0.579	44%	0.444	S	S	*	.	H	α-helix	trans	-64.7	-32.3	172.9	-77	177.9	7.7	0	0	112.9	S733 E734 R741	S733-Q737 VanDerWaalsContact O-CB 3.3Å; S733-Q737 WeakPolarHBondContact O-CB 3.35Å; S733-Q737 VanDerWaalsContact O-CG 3.23Å; S733-Q737 WeakPolarHBondContact O-CG 3.37Å; S733-Q737 PolarHBondContact O-N 3.2Å; E734-Q737 PolarHBondContact O-N 3.49Å; Q737-R741 WeakPolarHBondContact O-CB 2.98Å; Q737-R741 VanDerWaalsContact O-CG 3.26Å; Q737-R741 WeakPolarHBondContact O-CG 3.3Å; Q737-R741 PolarHBondContact O-N 3.12Å
738	H	79.2	Confident	69.3	Low	22 Å²	22	92.1 Å²	92.1	10%	0.102	46%	0.458	C	S	.	.	H	α-helix	trans	-69.4	-46.9	172.8	172.1	70.7	0	0	0	111.9	C725 F729 E734 K735 N736 M740 R741 H742 H743	C725-H738 PolarHBondContact SG-NE2 3.46Å; F729-H738 HydrophobicContact CE1-CB 3.71Å; F729-H738 AromaticContact CE1-CG 3.92Å; F729-H738 HydrophobicContact CE2-CB 4.05Å; F729-H738 AromaticContact CE2-CD2 3.52Å; F729-H738 AromaticContact CE2-CG 3.84Å; F729-H738 HydrophobicContact CZ-CB 3.44Å; F729-H738 VanDerWaalsContact CZ-CB 3.44Å; F729-H738 AromaticContact CZ-CD2 3.33Å; F729-H738 WeakPolarHBondContact CZ-CD2 3.14Å; F729-H738 AromaticContact CZ-CG 3.21Å; F729-H738 AromaticContact CZ-ND1 3.79Å; F729-H738 AromaticContact CZ-NE2 3.95Å; E734-H738 WeakPolarHBondContact O-CB 3.44Å; E734-H738 PolarHBondContact O-N 3.35Å; K735-H738 WeakPolarHBondContact O-CB 3.48Å; K735-H738 PolarHBondContact O-N 3.35Å; N736-H738 VanDerWaalsContact C-N 3.29Å; N736-H738 PolarHBondContact O-N 3.47Å; H738-M740 PolarHBondContact O-N 3.47Å; H738-R741 PolarHBondContact O-N 2.85Å; H738-R741 VanDerWaalsContact O-N 3.07Å; H738-H742 AromaticContact CE1-CD2 3.36Å; H738-H742 PolarHBondContact CE1-CD2 3.02Å; H738-H742 AromaticContact CE1-CG 3.52Å; H738-H742 AromaticContact CE1-NE2 3.95Å; H738-H742 AromaticContact ND1-CD2 3.07Å; H738-H742 PolarHBondContact ND1-CD2 3.02Å; H738-H742 AromaticContact ND1-CG 3.72Å; H738-H742 AromaticContact ND1-NE2 3.65Å; H738-H742 PolarHBondContact O-N 3.5Å; H738-H743 AromaticContact NE2-NE2 3.86Å
739	I	78.1	Confident	67.9	Low	32 Å²	32	100.5 Å²	100.5	16%	0.164	51%	0.509	C	S	.	.	H	α-helix	trans	-57.6	-49.6	175.5	-69.7	169.2	0	0	0	110.4	Y724 K735 N736 R741 H742 H743 K744	Y724-I739 HydrophobicContact CD2-CG1 4.5Å; Y724-I739 HydrophobicContact CE2-CG2 4.33Å; K735-I739 HydrophobicContact CD-CD1 4.39Å; K735-I739 HydrophobicContact CG-CD1 3.76Å; K735-I739 HydrophobicContact CG-CG1 4.49Å; K735-I739 WeakPolarHBondContact O-CG1 3.35Å; K735-I739 PolarHBondContact O-N 3.32Å; N736-I739 PolarHBondContact O-N 3.02Å; I739-R741 PolarHBondContact O-N 2.91Å; I739-H742 PolarHBondContact O-N 3.3Å; I739-H743 HydrophobicContact CG2-CB 4.29Å; I739-H743 CarbonylContact O-C 3.36Å; I739-H743 WeakPolarHBondContact O-CA 3.17Å; I739-H743 PolarHBondContact O-N 3.38Å; I739-K744 PolarHBondContact O-N 3.01Å
740	M	72.9	Confident	67.5	Low	136 Å²	136	104.2 Å²	104.2	67%	0.67	53%	0.529	S	S	*	.	H	α-helix	trans	-65.7	-7.2	177.9	-64.3	-69.8	-69.8	0	0	114.6	N736 H738	N736-M740 WeakPolarHBondContact O-CB 3.45Å; N736-M740 WeakPolarHBondContact O-CG 3.19Å; N736-M740 PolarHBondContact O-N 3.49Å; H738-M740 PolarHBondContact O-N 3.47Å
741	R	75.7	Confident	67.3	Low	205 Å²	205	103.8 Å²	103.8	77%	0.774	54%	0.535	S	S	*	.	H	α-helix	trans	-111.2	-32.2	176.5	-76.2	-179.6	176.3	-143	-0.3	114.3	Q737 H738 I739	Q737-R741 WeakPolarHBondContact O-CB 2.98Å; Q737-R741 VanDerWaalsContact O-CG 3.26Å; Q737-R741 WeakPolarHBondContact O-CG 3.3Å; Q737-R741 PolarHBondContact O-N 3.12Å; H738-R741 PolarHBondContact O-N 2.85Å; H738-R741 VanDerWaalsContact O-N 3.07Å; I739-R741 PolarHBondContact O-N 2.91Å
742	H	70.4	Confident	67.4	Low	130 Å²	130	103.3 Å²	103.3	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-114	-18	-174.4	-69.8	-94	0	0	0	114.4	H738 I739	H738-H742 AromaticContact CE1-CD2 3.36Å; H738-H742 PolarHBondContact CE1-CD2 3.02Å; H738-H742 AromaticContact CE1-CG 3.52Å; H738-H742 AromaticContact CE1-NE2 3.95Å; H738-H742 AromaticContact ND1-CD2 3.07Å; H738-H742 PolarHBondContact ND1-CD2 3.02Å; H738-H742 AromaticContact ND1-CG 3.72Å; H738-H742 AromaticContact ND1-NE2 3.65Å; H738-H742 PolarHBondContact O-N 3.5Å; I739-H742 PolarHBondContact O-N 3.3Å
743	H	70.1	Confident	67.1	Low	35 Å²	35	105.2 Å²	105.2	16%	0.162	55%	0.545	C	S	.	.	S	Bend	trans	-125.9	22.9	179.9	-56.8	-62.6	0	0	0	111.2	Y724 H738 I739 E745 V746	Y724-H743 VanDerWaalsContact CB-CE1 3.48Å; Y724-H743 WeakPolarHBondContact CB-CE1 3.27Å; Y724-H743 HydrophobicContact CD2-CB 4.08Å; Y724-H743 AromaticContact CD2-CD2 3.97Å; Y724-H743 AromaticContact CD2-CG 3.89Å; Y724-H743 HydrophobicContact CE2-CB 4.44Å; Y724-H743 HydrophobicContact CG-CB 4.35Å; Y724-H743 AromaticContact CG-CG 3.92Å; H738-H743 AromaticContact NE2-NE2 3.86Å; I739-H743 HydrophobicContact CG2-CB 4.29Å; I739-H743 CarbonylContact O-C 3.36Å; I739-H743 WeakPolarHBondContact O-CA 3.17Å; I739-H743 PolarHBondContact O-N 3.38Å; H743-E745 PolarHBondContact O-N 3.38Å; H743-E745 VanDerWaalsContact O-N 3.13Å; H743-V746 PolarHBondContact O-N 2.74Å
744	K	64.3	Low	66.6	Low	157 Å²	157	107.8 Å²	107.8	68%	0.683	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-25.6	-174.8	-166.3	-170.8	173.1	-159.1	0	113.6	I739	I739-K744 PolarHBondContact O-N 3.01Å
745	E	56.6	Low	65.9	Low	195 Å²	195	111.3 Å²	111.3	91%	0.911	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-10.1	-178.2	-65	175.1	171.4	0	0	113.1	H743 G747	H743-E745 PolarHBondContact O-N 3.38Å; H743-E745 VanDerWaalsContact O-N 3.13Å; E745-G747 PolarHBondContact O-N 2.85Å
746	V	58.1	Low	65	Low	89 Å²	89	116.9 Å²	116.9	54%	0.539	60%	0.601	S	S	.	*	S	Bend	trans	-94.1	38.4	174.7	-157.7	0	0	0	0	109.9	Y724 H743	Y724-V746 HydrophobicContact CE1-CB 4.35Å; Y724-V746 HydrophobicContact CE1-CG1 3.93Å; H743-V746 PolarHBondContact O-N 2.74Å
747	G	51.2	Low	64.2	Low	58 Å²	58	118.8 Å²	118.8	60%	0.598	61%	0.609	S	S	*	*			trans	-134.9	23.9	-158.4	0	0	0	0	0	115.4	E745	E745-G747 PolarHBondContact O-N 2.85Å
748	L	34.4	Very low	63.1	Low	164 Å²	164	118.3 Å²	118.3	86%	0.859	61%	0.612	S	S	*	*			trans	-126.9	151.5	161.3	-79.3	174.2	0	0	0	107.9
749	P	46.3	Very low	61.7	Low	197 Å²	197	127.1 Å²	127.1	100%	1.279	66%	0.658	S	S	*	*			trans	-71.3	0	-160.2	29.4	-37	0	0	0	114.7

Retrieved 749 of 749 residues in 397.2 ms (Link to these results)

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