A0A061IGN6_CRIGR Loading...

SUMO1/sentrin specific peptidase 1

AlphaFold DB , UniProt , Accession A0A061IGN6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Senp1, Length 691 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	34.9	Very low	35.5	Very low	242 Å²	242	154.2 Å²	154.2	100%	1.192	83%	0.834	S	S	*	*				0	148.1	0	-73.2	174.9	169.9	0	0	108.8
2	K	33.3	Very low	35.1	Very low	212 Å²	212	153.7 Å²	153.7	92%	0.922	83%	0.829	S	S	*	*			trans	24.6	98.3	167.8	-64.9	-173.1	177.3	-178	0	119.5
3	T	45.2	Very low	35.4	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	83%	0.825	S	S	*	*			trans	-82.3	-169.9	139.9	51.6	0	0	0	0	108.4
4	P	61.5	Low	34.9	Very low	103 Å²	103	146.1 Å²	146.1	67%	0.669	83%	0.826	S	S	*	*			cis	-148	-164	9.9	45.8	-24.6	0	0	0	117.7
5	L	32.3	Very low	34.4	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	83%	0.828	S	S	*	*			trans	89.4	131.3	149.5	-79.9	169.9	0	0	0	121.6
6	T	41.2	Very low	34.2	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	83%	0.826	S	S	*	*			trans	-95.5	158.6	167.6	35.2	0	0	0	0	111.3
7	A	29.6	Very low	35.2	Very low	97 Å²	97	140.9 Å²	140.9	80%	0.802	82%	0.821	S	S	*	*			trans	-148	143.1	164.6	0	0	0	0	0	111.2
8	T	29.5	Very low	35.1	Very low	135 Å²	135	143 Å²	143	83%	0.828	83%	0.827	S	S	*	*			trans	-80.6	149.1	-178.2	-48.4	0	0	0	0	111.7
9	V	29.6	Very low	34.7	Very low	103 Å²	103	139.6 Å²	139.6	62%	0.624	83%	0.826	S	S	*	*			trans	-122.7	130.4	175.2	-178.9	0	0	0	0	110.6	F11	V9-F11 HydrophobicContact CG1-CD2 3.45Å; V9-F11 VanDerWaalsContact CG1-CD2 3.45Å; V9-F11 HydrophobicContact CG1-CE2 3.77Å; V9-F11 HydrophobicContact CG1-CG 4.09Å
10	F	25.1	Very low	34.4	Very low	203 Å²	203	142.7 Å²	142.7	89%	0.89	83%	0.829	S	S	*	*			trans	-105.6	142.9	159.4	-97.2	-91.8	0	0	0	109.2
11	F	28.3	Very low	34.1	Very low	172 Å²	172	140.6 Å²	140.6	75%	0.754	82%	0.822	S	S	*	*			trans	-150.1	148.7	-171.5	-107.5	-40.2	0	0	0	106.3	V9	V9-F11 HydrophobicContact CG1-CD2 3.45Å; V9-F11 VanDerWaalsContact CG1-CD2 3.45Å; V9-F11 HydrophobicContact CG1-CE2 3.77Å; V9-F11 HydrophobicContact CG1-CG 4.09Å
12	L	31.1	Very low	33.9	Very low	148 Å²	148	136 Å²	136	78%	0.775	80%	0.8	S	S	*	*			cis	-140.6	169.2	13.8	-92.9	156.5	0	0	0	110.9
13	P	38.2	Very low	33.6	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	80%	0.8	S	S	*	*			trans	-85.6	175.6	172.2	36.8	-33.9	0	0	0	113.3
14	G	28.4	Very low	32.8	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	80%	0.797	S	S	*	*			trans	-90.8	-170.3	-169.3	0	0	0	0	0	117.6
15	S	28.3	Very low	31.2	Very low	123 Å²	123	138.6 Å²	138.6	86%	0.86	81%	0.807	S	S	*	*			trans	-148.9	157.6	-172	56.3	0	0	0	0	113.8
16	S	30.8	Very low	31	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	80%	0.8	S	S	*	*			trans	-138.6	164	170.3	-43.3	0	0	0	0	107.4
17	P	50.7	Low	30.4	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	80%	0.795	S	S	*	*				-160.7	173.8	75.2	42.6	-21	0	0	0	119
18	L	33.3	Very low	30.2	Very low	178 Å²	178	137.1 Å²	137.1	93%	0.932	79%	0.793	S	S	*	*			trans	44.8	132.4	142.2	-66.5	163.9	0	0	0	123.6
19	G	27.9	Very low	30.2	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	79%	0.785	S	S	*	*			trans	172.9	140.3	158.9	0	0	0	0	0	115.8
20	F	28.8	Very low	30	Very low	201 Å²	201	140.5 Å²	140.5	88%	0.882	80%	0.797	S	S	*	*			trans	-111.8	161.3	-171.2	-99.6	-95.1	0	0	0	115
21	C	27.1	Very low	30.4	Very low	99 Å²	99	142.1 Å²	142.1	67%	0.669	80%	0.797	S	S	*	*			trans	66.7	124.4	153.5	-70.7	0	0	0	0	120
22	I	30.6	Very low	30.9	Very low	145 Å²	145	138.9 Å²	138.9	74%	0.744	79%	0.793	S	S	*	*				86	118.8	66.5	-72	170.1	0	0	0	114.1
23	F	27.2	Very low	30.7	Very low	209 Å²	209	139.2 Å²	139.2	92%	0.917	79%	0.791	S	S	*	*			trans	171.7	177.6	138.3	-105.4	-75.9	0	0	0	111.2
24	A	28.2	Very low	30.5	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	79%	0.789	S	S	*	*			trans	-159.7	170.3	-146.7	0	0	0	0	0	117.7
25	K	27.8	Very low	30.7	Very low	202 Å²	202	143.3 Å²	143.3	88%	0.878	78%	0.784	S	S	*	*			trans	90.6	145.2	144.6	-140	-173.5	-174.7	-177.2	0	119.8
26	V	28.3	Very low	30.9	Very low	117 Å²	117	144 Å²	144	71%	0.709	78%	0.778	S	S	*	*			trans	90.6	115.1	157.3	-174.3	0	0	0	0	120.4
27	S	28.8	Very low	30.9	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	78%	0.776	S	S	*	*			trans	55.7	164	148.4	-53.4	0	0	0	0	120.9
28	D	26.8	Very low	30.1	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	78%	0.775	S	S	*	*			cis	-159.6	179.2	16.4	-145.4	-32.3	0	0	0	114.1
29	V	28.1	Very low	29.9	Very low	109 Å²	109	141.7 Å²	141.7	66%	0.661	77%	0.768	S	S	*	*			trans	80.3	113.6	150.6	169.9	0	0	0	0	122.6
30	K	27.1	Very low	30	Very low	200 Å²	200	142 Å²	142	87%	0.87	76%	0.758	S	S	*	*			trans	59	153.3	140.6	-68.7	-177.4	177.8	-178	0	124.9
31	R	32	Very low	30	Very low	237 Å²	237	139.2 Å²	139.2	89%	0.894	75%	0.75	S	S	*	*			trans	-76.9	166.5	163.4	-55.7	178.2	-179.4	172.6	-2.5	112
32	P	39.6	Very low	30.2	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	75%	0.752	S	S	*	*				-136.4	147.7	98	43.1	-31.9	0	0	0	112.5
33	E	27.7	Very low	30.3	Very low	155 Å²	155	142.1 Å²	142.1	72%	0.724	75%	0.749	S	S	*	*				71.3	150.3	93.4	-62.8	176.7	151.1	0	0	114.5
34	M	33.3	Very low	30.4	Very low	149 Å²	149	138.5 Å²	138.5	73%	0.734	74%	0.739	S	S	*	*			cis	-164.2	159.6	0.6	-112.4	161.3	177.3	0	0	106.3
35	D	31.6	Very low	30.6	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	74%	0.743	S	S	*	*			cis	-167.9	-150.2	-19.2	-136.5	-89.6	0	0	0	110
36	D	32.6	Very low	30.5	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	74%	0.743	S	S	*	*			trans	77.1	141.7	164.1	-75.9	-35.7	0	0	0	118.3
37	T	31.4	Very low	30.4	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	75%	0.749	S	S	*	*			cis	-146.9	158	4.7	-11.5	0	0	0	0	113.5
38	A	33.8	Very low	30.5	Very low	87 Å²	87	137 Å²	137	72%	0.719	75%	0.749	S	S	*	*			trans	63.2	114.6	164.1	0	0	0	0	0	118.3
39	D	29.3	Very low	30.6	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	74%	0.743	S	S	*	*				56	119.8	74.4	-84.5	-44	0	0	0	114.8
40	S	29.8	Very low	30.6	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	75%	0.75	S	S	*	*			cis	77.3	149.6	46.4	110.8	0	0	0	0	113.9
41	M	29.9	Very low	30.8	Very low	143 Å²	143	133 Å²	133	70%	0.704	74%	0.74	S	S	*	*			cis	-158	152.6	15	-126.9	-158.8	-152.7	0	0	111.6
42	K	31.3	Very low	30.6	Very low	163 Å²	163	128.1 Å²	128.1	71%	0.709	73%	0.731	S	S	*	*			trans	62.6	154.7	142.7	-71.9	-169.7	175	174	0	122.3
43	M	32.1	Very low	30.6	Very low	141 Å²	141	130.4 Å²	130.4	70%	0.695	73%	0.733	S	S	*	*			cis	-137.1	-134	-29.7	-69.2	-134.9	-59.4	0	0	107
44	D	28.9	Very low	30.8	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	73%	0.726	S	S	*	*			cis	-161.2	171.4	-2.1	-138.1	-40.6	0	0	0	113.3
45	A	31.5	Very low	30.9	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	72%	0.72	S	S	*	*			trans	15.6	135.1	161.5	0	0	0	0	0	123.4
46	G	27.2	Very low	31	Very low	86 Å²	86	124 Å²	124	89%	0.887	72%	0.717	S	S	*	*			trans	170.5	113.9	160.8	0	0	0	0	0	113.5
47	E	26.7	Very low	30.9	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	72%	0.717	S	S	*	*			trans	-119.5	-179.9	-172.5	-157.6	-164.8	156.6	0	0	112
48	V	29.9	Very low	30.7	Very low	119 Å²	119	126.6 Å²	126.6	72%	0.721	71%	0.712	S	S	*	*			trans	84.7	129.8	161.4	177.9	0	0	0	0	117.4
49	T	28.5	Very low	30.6	Very low	104 Å²	104	129 Å²	129	64%	0.638	72%	0.718	S	S	*	*			cis	-165.2	177.7	-22.4	38	0	0	0	0	110.4
50	L	28.8	Very low	30.5	Very low	155 Å²	155	129.3 Å²	129.3	81%	0.812	71%	0.714	S	S	*	*			trans	84.4	145.4	157.3	-61.3	161.3	0	0	0	119.4
51	V	30.6	Very low	30.5	Very low	109 Å²	109	132.3 Å²	132.3	66%	0.661	72%	0.723	S	S	*	*			cis	-173.6	167	-37.5	119.3	0	0	0	0	110.7
52	N	28.7	Very low	30.4	Very low	133 Å²	133	132.3 Å²	132.3	71%	0.711	73%	0.725	S	S	*	*			trans	72.9	151	171.1	-72.4	-22.4	0	0	0	118.1
53	H	39.9	Very low	31	Very low	152 Å²	152	129.7 Å²	129.7	70%	0.704	72%	0.724	S	S	*	*			cis	-178.3	165.2	-30.6	-123.4	4.8	0	0	0	108.7
54	N	31	Very low	30.8	Very low	109 Å²	109	131.1 Å²	131.1	58%	0.583	73%	0.73	S	S	*	*			cis	-160.6	167.2	-7.3	-152.9	-4.7	0	0	0	111.9
55	S	36.5	Very low	30.6	Very low	88 Å²	88	130.7 Å²	130.7	62%	0.615	74%	0.737	S	S	*	*			trans	18	148.4	139.9	-68.3	0	0	0	0	122.8
56	T	33.3	Very low	30.2	Very low	110 Å²	110	132 Å²	132	68%	0.675	74%	0.739	S	S	*	*			cis	-165.6	-175	16.2	5.4	0	0	0	0	109.9
57	F	29.1	Very low	30.2	Very low	170 Å²	170	136.2 Å²	136.2	75%	0.746	73%	0.733	S	S	*	*			cis	-158.6	158	7	-128.7	-29.6	0	0	0	113.6
58	K	28.6	Very low	30.7	Very low	148 Å²	148	133.4 Å²	133.4	64%	0.643	73%	0.73	S	S	*	*			trans	33.9	126.5	145.8	-87.7	-178.1	177.3	-162.2	0	124.2	H60	K58-H60 PolarHBondContact NZ-NE2 3.12Å
59	T	31.7	Very low	30.8	Very low	137 Å²	137	135.7 Å²	135.7	84%	0.84	73%	0.733	S	S	*	*			trans	-105.8	172.6	145.1	50.1	0	0	0	0	111.1
60	H	26.9	Very low	30.7	Very low	152 Å²	152	138 Å²	138	70%	0.704	74%	0.742	S	S	*	*			trans	-142.9	177.4	169.9	-96.4	-87.9	0	0	0	111.1	K58	K58-H60 PolarHBondContact NZ-NE2 3.12Å
61	L	29	Very low	30.7	Very low	149 Å²	149	138.3 Å²	138.3	78%	0.78	74%	0.739	S	S	*	*			trans	-122.8	155	-145	-70.1	154.9	0	0	0	116.5
62	L	29.2	Very low	30.5	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	75%	0.749	S	S	*	*			trans	23.8	167	138.7	-93.6	85.3	0	0	0	122.5
63	P	42.4	Very low	30.4	Very low	108 Å²	108	139 Å²	139	70%	0.701	75%	0.745	S	S	*	*			cis	-145.5	164.7	26.8	42.3	-21.7	0	0	0	121.4
64	Q	28.3	Very low	29.8	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	75%	0.751	S	S	*	*			trans	26.1	134.9	140.8	-62	178.5	-32.3	0	0	125
65	S	24.8	Very low	29.6	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	76%	0.76	S	S	*	*				166.9	165.2	122.1	44.2	0	0	0	0	110
66	C	22.7	Very low	29.3	Very low	123 Å²	123	142.6 Å²	142.6	83%	0.831	77%	0.77	S	S	*	*			cis	-156.7	176.4	-43.7	-160.6	0	0	0	0	108
67	F	27.1	Very low	29.2	Very low	176 Å²	176	146.6 Å²	146.6	77%	0.772	78%	0.781	S	S	*	*			trans	-67.8	166.1	178	-91.2	-74.6	0	0	0	113.5
68	P	38.6	Very low	29.4	Very low	121 Å²	121	147 Å²	147	79%	0.786	79%	0.786	S	S	*	*			cis	-140.4	169.7	43.9	43.8	-25.5	0	0	0	119.4
69	E	30.4	Very low	29.5	Very low	168 Å²	168	148.1 Å²	148.1	79%	0.785	80%	0.797	S	S	*	*			trans	-70.6	165.2	156.6	-53.7	176	117.6	0	0	110.5
70	D	26.2	Very low	29.4	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	80%	0.796	S	S	*	*			trans	-149.8	165.5	135.1	-139.6	-26.6	0	0	0	111.9
71	Q	28.9	Very low	30.6	Very low	162 Å²	162	146.9 Å²	146.9	76%	0.757	80%	0.795	S	S	*	*			trans	-90.7	160.9	-164.6	-54.7	166.4	35.5	0	0	112.6
72	L	28	Very low	30.6	Very low	168 Å²	168	144.9 Å²	144.9	88%	0.88	79%	0.794	S	S	*	*				179.2	173.9	110.8	-94.6	165.9	0	0	0	112.8
73	S	25.6	Very low	30.7	Very low	88 Å²	88	148.4 Å²	148.4	62%	0.615	80%	0.797	S	S	*	*			trans	-130.1	165.3	-163.7	60.9	0	0	0	0	113.1
74	L	27.2	Very low	30.1	Very low	160 Å²	160	151 Å²	151	84%	0.838	80%	0.799	S	S	*	*			trans	63.2	141	161.6	-62.4	159.1	0	0	0	115.8
75	S	27.1	Very low	30.1	Very low	110 Å²	110	145.9 Å²	145.9	77%	0.769	79%	0.793	S	S	*	*			cis	-161.4	159.9	43.1	-53.4	0	0	0	0	112.2
76	D	30.8	Very low	30.4	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	79%	0.792	S	S	*	*			trans	-66.1	148.2	154.5	-77.6	-66.7	0	0	0	111.4
77	Q	30.8	Very low	30.9	Very low	195 Å²	195	148 Å²	148	91%	0.911	79%	0.791	S	S	*	*				-159.7	157.9	128.1	-113.4	169.8	46.9	0	0	113.3
78	Q	33.9	Very low	31	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	79%	0.789	S	S	*	*			trans	-88.1	164	-173.3	-58	162.6	-0.3	0	0	111.4
79	I	29	Very low	30.7	Very low	170 Å²	170	151 Å²	151	87%	0.872	79%	0.792	S	S	*	*			trans	-178	143.1	130.1	-94.3	152.7	0	0	0	112.2
80	L	30.9	Very low	32	Very low	159 Å²	159	147.9 Å²	147.9	83%	0.832	79%	0.786	S	S	*	*			trans	-139.9	169.7	169.9	-98.4	171	0	0	0	105.9
81	P	51.9	Low	32.2	Very low	104 Å²	104	145.8 Å²	145.8	68%	0.675	78%	0.783	S	S	*	*			cis	-139.2	-165.7	4.1	39.8	-19.4	0	0	0	115.7
82	S	29.6	Very low	32.5	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	79%	0.785	S	S	*	*			trans	82.8	159.5	153.4	87.5	0	0	0	0	118.4
83	R	30.8	Very low	32.6	Very low	217 Å²	217	141.5 Å²	141.5	82%	0.819	78%	0.778	S	S	*	*			cis	-151	-171.9	2.3	-146.2	-178.4	162.7	167.7	-2.5	113.3
84	Q	29.8	Very low	32.7	Very low	161 Å²	161	142 Å²	142	75%	0.752	78%	0.782	S	S	*	*			trans	-80.4	161.4	-161	-56.9	151.7	-87.1	0	0	118
85	G	28.8	Very low	33	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	78%	0.776	S	S	*	*			trans	167.3	118.5	151.1	0	0	0	0	0	111.1
86	T	29.7	Very low	33.2	Very low	136 Å²	136	145 Å²	145	83%	0.834	78%	0.779	S	S	*	*				49.3	124.6	54.1	61.4	0	0	0	0	113.8
87	L	33.3	Very low	33.3	Very low	155 Å²	155	142.9 Å²	142.9	81%	0.812	78%	0.776	S	S	*	*			cis	-140.7	-162.8	20.4	-143	66.8	0	0	0	109
88	N	28.8	Very low	33.5	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	76%	0.763	S	S	*	*			cis	-153.1	-123.8	9.1	-162.4	2.3	0	0	0	115.1
89	R	32.6	Very low	33.4	Very low	222 Å²	222	134.9 Å²	134.9	84%	0.838	76%	0.76	S	S	*	*			trans	-172.5	-170.2	-162	-131.9	-172.8	161.9	-165.8	-1.9	107.7
90	P	58.6	Low	33.4	Very low	102 Å²	102	137.4 Å²	137.4	66%	0.662	76%	0.76	S	S	*	*			cis	-138.7	175.2	-22	41.2	-24.4	0	0	0	116.6
91	S	30.8	Very low	33.5	Very low	107 Å²	107	135 Å²	135	75%	0.748	75%	0.749	S	S	*	*			trans	-160.1	131.4	144.2	46.6	0	0	0	0	108.3
92	T	34	Very low	33.5	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	75%	0.75	S	S	*	*			cis	77.2	131.4	46	64	0	0	0	0	114.1
93	C	30.3	Very low	33.8	Very low	109 Å²	109	135.5 Å²	135.5	74%	0.736	74%	0.743	S	S	*	*			cis	-167.2	144.7	-11	-164.9	0	0	0	0	108.5
94	S	28.2	Very low	34	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	74%	0.738	S	S	*	*				170.8	140	99.9	-93.1	0	0	0	0	110.8
95	T	33.3	Very low	34.2	Very low	115 Å²	115	135 Å²	135	71%	0.706	74%	0.737	S	S	*	*				65.4	139.4	78.6	0.4	0	0	0	0	115.2
96	R	32	Very low	34.3	Very low	218 Å²	218	136 Å²	136	82%	0.823	73%	0.734	S	S	*	*			cis	-167.7	132.8	22.4	-164.2	-176.9	-172.9	-179.9	2.1	115.8
97	S	32.6	Very low	34.3	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	73%	0.726	S	S	*	*			trans	53.7	163.7	147.8	75.5	0	0	0	0	122.4
98	A	34.1	Very low	34.3	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	73%	0.725	S	S	*	*			cis	-155.3	149.6	12.2	0	0	0	0	0	116
99	T	32.1	Very low	34.4	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	73%	0.727	S	S	*	*			trans	35	122.7	143.7	55.3	0	0	0	0	123.6
100	Y	28.7	Very low	34.3	Very low	223 Å²	223	131 Å²	131	88%	0.875	72%	0.722	S	S	*	*				-160	151	97.6	-130.3	-90.5	0	0	0	112
101	N	33.4	Very low	32.9	Very low	110 Å²	110	130.8 Å²	130.8	59%	0.588	72%	0.723	S	S	*	*			trans	-153	152.7	171.3	-152.4	48.6	0	0	0	109	D103	N101-D103 PolarHBondContact ND2-N 3.43Å; N101-D103 PolarHBondContact ND2-OD1 3.49Å
102	P	51.3	Low	32.8	Very low	109 Å²	109	134.3 Å²	134.3	71%	0.708	73%	0.725	S	S	*	*				-130.6	146.6	102.6	10	11.9	0	0	0	111.5
103	D	35.7	Very low	32.5	Very low	113 Å²	113	135.8 Å²	135.8	60%	0.604	73%	0.725	S	S	*	*				70.1	134.4	57.5	-61.1	-27.5	0	0	0	112.2	N101	N101-D103 PolarHBondContact ND2-N 3.43Å; N101-D103 PolarHBondContact ND2-OD1 3.49Å
104	Y	35.3	Very low	32.4	Very low	183 Å²	183	141.6 Å²	141.6	72%	0.718	73%	0.732	S	S	*	*			cis	-159.6	169.8	12	-128.7	-151.2	0	0	0	108.3
105	Y	33.8	Very low	32.7	Very low	183 Å²	183	141.9 Å²	141.9	72%	0.718	73%	0.733	S	S	*	*			cis	-156.2	-137.1	3.7	-163.6	-137.4	0	0	0	111.7
106	S	31.4	Very low	34.2	Very low	88 Å²	88	141.6 Å²	141.6	62%	0.615	73%	0.733	S	S	*	*			trans	-89.6	175.6	-176.8	59.1	0	0	0	0	115.3
107	G	30.1	Very low	34.7	Very low	65 Å²	65	137.1 Å²	137.1	67%	0.67	73%	0.733	S	S	*	*			cis	124.7	147.9	-8.4	0	0	0	0	0	116.7
108	F	32.8	Very low	35.1	Very low	180 Å²	180	139.5 Å²	139.5	79%	0.789	74%	0.736	S	S	*	*			trans	87.6	142.9	151.6	-89.1	-83.5	0	0	0	125.2
109	F	31	Very low	34.9	Very low	179 Å²	179	144.6 Å²	144.6	79%	0.785	74%	0.744	S	S	*	*			trans	66.2	158.3	161.1	-60.7	-59.8	0	0	0	120.8
110	V	30.1	Very low	34.6	Very low	121 Å²	121	147.6 Å²	147.6	73%	0.733	74%	0.741	S	S	*	*				-171.2	161.4	-51.3	124.8	0	0	0	0	111.1
111	S	29.5	Very low	34.6	Very low	98 Å²	98	144.1 Å²	144.1	69%	0.685	73%	0.732	S	S	*	*			trans	75.2	105	161.6	-81.2	0	0	0	0	122.2
112	K	29.3	Very low	34.5	Very low	182 Å²	182	146 Å²	146	79%	0.791	74%	0.742	S	S	*	*				51.7	107.6	102.3	-172.9	-173.2	-174.2	179.4	0	119
113	M	27.9	Very low	34.4	Very low	161 Å²	161	145.9 Å²	145.9	79%	0.793	74%	0.742	S	S	*	*				176.2	135	129.1	-95.3	-69.4	-172	0	0	114
114	R	27.4	Very low	34.2	Very low	232 Å²	232	145.5 Å²	145.5	88%	0.875	75%	0.747	S	S	*	*			trans	47.9	115.3	134.1	-147.4	175.1	-160.1	164.4	4	121.7
115	S	34.6	Very low	34.1	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	74%	0.744	S	S	*	*			trans	-96.8	-176.2	163.4	52.8	0	0	0	0	112
116	P	64.9	Low	33.9	Very low	109 Å²	109	139.8 Å²	139.8	71%	0.708	75%	0.749	S	S	*	*			cis	-119.8	-164.2	-24.7	38.9	-22.5	0	0	0	111.6
117	P	42.3	Very low	34	Very low	125 Å²	125	140.2 Å²	140.2	81%	0.812	75%	0.752	S	S	*	*				-150.4	166.6	114.5	38.5	-22.4	0	0	0	117
118	L	42.2	Very low	34	Very low	159 Å²	159	145.8 Å²	145.8	83%	0.832	76%	0.758	S	S	*	*			trans	-98.1	155.4	164.5	-74.5	88.6	0	0	0	112
119	K	29	Very low	33.9	Very low	184 Å²	184	145 Å²	145	80%	0.8	76%	0.762	S	S	*	*			trans	155.1	151.5	153.3	-88.3	160.3	-177.5	175.3	0	109.3
120	R	27.1	Very low	33.8	Very low	191 Å²	191	140 Å²	140	72%	0.721	76%	0.759	S	S	*	*			cis	-167.7	161.9	-6.7	-125.8	168.7	174.5	-161.2	-3.5	111.2
121	H	26.8	Very low	33.7	Very low	150 Å²	150	139.2 Å²	139.2	69%	0.694	76%	0.76	S	S	*	*			trans	66.3	113.5	146.5	-71.1	-49.2	0	0	0	123.9
122	N	31.9	Very low	33.7	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	76%	0.761	S	S	*	*			trans	-38.5	157.4	131.9	-99	13	0	0	0	113.9
123	P	48.8	Very low	33.7	Very low	108 Å²	108	138.5 Å²	138.5	70%	0.701	76%	0.757	S	S	*	*				-151.2	166.6	54.2	41.9	-22.9	0	0	0	119.6
124	S	32.4	Very low	33.8	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	75%	0.752	S	S	*	*			trans	61.3	148.9	152	55	0	0	0	0	118.6
125	S	34.3	Very low	33.8	Very low	92 Å²	92	135.8 Å²	135.8	64%	0.643	75%	0.75	S	S	*	*			cis	-143.6	167.1	15.8	-48.7	0	0	0	0	112.2
126	D	29.1	Very low	33.6	Very low	154 Å²	154	135.4 Å²	135.4	82%	0.824	74%	0.744	S	S	*	*			trans	63.8	144.9	151.6	-57.8	-33.6	0	0	0	119.5
127	S	33.2	Very low	31.7	Very low	97 Å²	97	140 Å²	140	68%	0.678	75%	0.753	S	S	*	*			cis	-155.2	143.5	-1.3	45.2	0	0	0	0	112
128	F	29.3	Very low	30.9	Very low	183 Å²	183	136.9 Å²	136.9	80%	0.803	74%	0.744	S	S	*	*			trans	42.7	107.5	152.6	-72.8	-104.1	0	0	0	119.5
129	L	31.4	Very low	30.3	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	75%	0.748	S	S	*	*				84.9	125.3	66.8	-80.3	168	0	0	0	114.6
130	G	28	Very low	30.4	Very low	72 Å²	72	135 Å²	135	74%	0.742	75%	0.745	S	S	*	*			trans	176.1	30.2	179.4	0	0	0	0	0	122
131	S	29.5	Very low	30.4	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	74%	0.74	S	S	*	*			trans	70.6	128.9	172.9	-162.2	0	0	0	0	115.3
132	N	28.2	Very low	30.6	Very low	132 Å²	132	130.2 Å²	130.2	71%	0.706	75%	0.749	S	S	*	*				63.4	135	56.9	-63.1	67.6	0	0	0	112.2
133	D	29.3	Very low	30.3	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	74%	0.742	S	S	*	*			cis	-160.6	-176.6	-1.4	-135.8	-45.5	0	0	0	113.5
134	T	30.9	Very low	29.2	Very low	113 Å²	113	129 Å²	129	69%	0.693	75%	0.747	S	S	*	*			trans	-86.7	157.8	164.2	63.4	0	0	0	0	113.2
135	R	28	Very low	28.9	Very low	223 Å²	223	134.6 Å²	134.6	84%	0.842	75%	0.752	S	S	*	*			trans	85.3	141.4	136.9	-138.8	-173.9	-153	177.9	5.5	120.8
136	T	28.7	Very low	28.5	Very low	98 Å²	98	140.8 Å²	140.8	60%	0.601	76%	0.761	S	S	*	*			trans	85.2	142.8	143.5	6.8	0	0	0	0	122.5
137	F	25.2	Very low	28.6	Very low	205 Å²	205	140.7 Å²	140.7	90%	0.899	76%	0.761	S	S	*	*			trans	58.4	141.5	164.1	-62	-67.4	0	0	0	119.2
138	G	25.6	Very low	28.3	Very low	60 Å²	60	142 Å²	142	62%	0.619	77%	0.77	S	S	*	*			cis	160.9	165.3	-7.1	0	0	0	0	0	112.4
139	Q	30.5	Very low	29.2	Very low	195 Å²	195	139.9 Å²	139.9	91%	0.911	77%	0.772	S	S	*	*			trans	62.6	149.4	175.2	-48.5	178.2	-4.8	0	0	113.8
140	S	29.4	Very low	29.4	Very low	107 Å²	107	137.8 Å²	137.8	75%	0.748	77%	0.768	S	S	*	*			cis	-172.6	171.8	31.5	-162.3	0	0	0	0	110.8
141	A	28.1	Very low	29.7	Very low	73 Å²	73	139.1 Å²	139.1	60%	0.603	77%	0.772	S	S	*	*			trans	47.4	127.1	148.8	0	0	0	0	0	122
142	N	30.8	Very low	30.1	Very low	168 Å²	168	139.8 Å²	139.8	90%	0.898	78%	0.777	S	S	*	*			trans	67.8	152.1	154.9	-54	-27.5	0	0	0	116
143	G	26.2	Very low	30.4	Very low	62 Å²	62	140.2 Å²	140.2	64%	0.639	78%	0.784	S	S	*	*			cis	131.2	145.5	6.6	0	0	0	0	0	109.7
144	Q	25.3	Very low	30.9	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.794	79%	0.789	S	S	*	*			trans	51.2	94.9	174.5	-97.5	63.5	-27.6	0	0	117.4
145	W	25.2	Very low	31.2	Very low	220 Å²	220	140.1 Å²	140.1	83%	0.833	79%	0.793	S	S	*	*				24	119	115.4	-64.9	87.1	0	0	0	117.8
146	R	25.9	Very low	31.4	Very low	222 Å²	222	136.5 Å²	136.5	84%	0.838	79%	0.79	S	S	*	*				-169.5	144.5	95.7	-73.6	-138.4	-162.4	-71.4	-6	112.1
147	N	31.5	Very low	31.6	Very low	153 Å²	153	138.5 Å²	138.5	82%	0.818	79%	0.792	S	S	*	*			trans	-80.4	151.1	163.9	-56.9	-15.7	0	0	0	110.2
148	S	27.8	Very low	32	Very low	125 Å²	125	137 Å²	137	87%	0.874	79%	0.785	S	S	*	*			trans	-162.8	114	153	-91.6	0	0	0	0	111
149	T	47.1	Very low	32.2	Very low	137 Å²	137	139.1 Å²	139.1	84%	0.84	79%	0.791	S	S	*	*			trans	-110.1	138.5	170.2	-31	0	0	0	0	109.1
150	P	35.7	Very low	32.2	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	79%	0.787	S	S	*	*			trans	-85.6	155.3	161.3	34.1	-31.3	0	0	0	111.2
151	A	35.6	Very low	32.3	Very low	101 Å²	101	141.9 Å²	141.9	84%	0.835	79%	0.787	S	S	*	*			trans	-110.6	-163.2	-174.4	0	0	0	0	0	113.1
152	S	37.4	Very low	32.4	Very low	120 Å²	120	142.8 Å²	142.8	84%	0.839	79%	0.789	S	S	*	*			trans	-69.4	174.7	-172.6	44.6	0	0	0	0	115.5
153	V	33.9	Very low	32.5	Very low	140 Å²	140	146 Å²	146	85%	0.848	79%	0.789	S	S	*	*			trans	-86.3	157.8	-154.9	179.3	0	0	0	0	114.8
154	S	39.4	Very low	32.6	Very low	117 Å²	117	147.7 Å²	147.7	82%	0.818	79%	0.79	S	S	*	*			trans	103.6	170	165.9	80.1	0	0	0	0	116.7
155	T	38.8	Very low	32.8	Very low	126 Å²	126	146 Å²	146	77%	0.773	79%	0.786	S	S	*	*			trans	-104.9	152.3	-141.4	45.3	0	0	0	0	117.1
156	L	32	Very low	32.9	Very low	148 Å²	148	145 Å²	145	78%	0.775	78%	0.784	S	S	*	*			trans	89.2	127.8	157.9	-102.4	73.1	0	0	0	121.5
157	Q	33	Very low	33.1	Very low	140 Å²	140	140.9 Å²	140.9	65%	0.654	78%	0.777	S	S	*	*			trans	75.7	117.4	149	-59.2	-159.5	41	0	0	124.7
158	K	32	Very low	33	Very low	173 Å²	173	141.3 Å²	141.3	75%	0.752	77%	0.774	S	S	*	*				70.3	107.4	128.4	-67.8	178.7	-177.8	155.9	0	124.6
159	S	29.7	Very low	33	Very low	105 Å²	105	142 Å²	142	73%	0.734	77%	0.773	S	S	*	*				84.1	119.3	117.4	72	0	0	0	0	126
160	R	32.1	Very low	32.3	Very low	220 Å²	220	146.5 Å²	146.5	83%	0.83	78%	0.775	S	S	*	*				77.9	121	129.9	-80.1	-175.4	166	170.2	-4.1	124.2
161	N	31.9	Very low	32.1	Very low	139 Å²	139	150.5 Å²	150.5	74%	0.743	78%	0.78	S	S	*	*			trans	71.5	155.9	130.7	-67.5	20.2	0	0	0	122.1
162	S	29.4	Very low	31.8	Very low	93 Å²	93	151.7 Å²	151.7	65%	0.65	78%	0.777	S	S	*	*			cis	179.1	140	-30.6	57.3	0	0	0	0	114.1
163	R	33.2	Very low	31.5	Very low	236 Å²	236	151 Å²	151	89%	0.891	77%	0.772	S	S	*	*			trans	56.8	170.5	159.3	-84.6	178.3	165.4	169.3	-6.8	117.1
164	S	27	Very low	31.5	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	77%	0.771	S	S	*	*			cis	-152.2	129.5	8.7	-160.3	0	0	0	0	109.3
165	L	29.5	Very low	31	Very low	133 Å²	133	148.2 Å²	148.2	70%	0.696	77%	0.772	S	S	*	*				50.4	123.6	96.4	-62.5	169	0	0	0	120.4
166	Y	28.5	Very low	30.7	Very low	201 Å²	201	150.3 Å²	150.3	79%	0.788	78%	0.778	S	S	*	*			trans	97.5	143.9	132.9	-99	-124	0	0	0	124.4
167	L	29.4	Very low	30.8	Very low	134 Å²	134	148.3 Å²	148.3	70%	0.702	78%	0.776	S	S	*	*			trans	63.4	118.3	166.4	-60	162.7	0	0	0	117.3
168	E	29	Very low	30.6	Very low	162 Å²	162	148.5 Å²	148.5	76%	0.757	78%	0.781	S	S	*	*				72.7	112.5	51.5	-169	-178.1	-174.4	0	0	114.1
169	T	29.3	Very low	30.5	Very low	139 Å²	139	146 Å²	146	85%	0.853	78%	0.781	S	S	*	*				-176.1	162.1	127.6	19.8	0	0	0	0	113.9
170	R	30.9	Very low	30.4	Very low	233 Å²	233	150.2 Å²	150.2	88%	0.879	79%	0.786	S	S	*	*			trans	-68.3	152.5	178.3	-50.9	158.5	176.1	153.8	-5.6	112.7
171	K	32	Very low	30.3	Very low	203 Å²	203	145.3 Å²	145.3	88%	0.883	78%	0.781	S	S	*	*				-176.1	162.9	109.7	-102.2	171.5	-178.9	179.2	0	115.7
172	T	30.4	Very low	30.2	Very low	127 Å²	127	142.4 Å²	142.4	78%	0.779	78%	0.784	S	S	*	*			trans	-65.6	155.6	169	51.3	0	0	0	0	112.2
173	S	31.2	Very low	30.2	Very low	104 Å²	104	147.7 Å²	147.7	73%	0.727	80%	0.795	S	S	*	*				-179.9	161	74.1	53.4	0	0	0	0	115.2
174	S	33	Very low	30.1	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	79%	0.787	S	S	*	*			trans	1.6	140.4	153.6	58.5	0	0	0	0	122.6
175	G	29.5	Very low	30.3	Very low	82 Å²	82	142.7 Å²	142.7	85%	0.845	79%	0.786	S	S	*	*			trans	-167.3	121.9	159.2	0	0	0	0	0	113.7
176	L	32.7	Very low	30.4	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	79%	0.79	S	S	*	*			trans	-91	172.3	-175	-85.2	156.9	0	0	0	114
177	S	32.4	Very low	30.3	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	79%	0.792	S	S	*	*			trans	79.3	155.1	153.8	87.5	0	0	0	0	117.8
178	N	30.4	Very low	30.3	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	79%	0.788	S	S	*	*			cis	-158.9	162.4	-26.8	-118.4	-9.6	0	0	0	111.6
179	T	29.5	Very low	30.2	Very low	121 Å²	121	141.8 Å²	141.8	74%	0.742	79%	0.79	S	S	*	*			trans	13.7	127.5	155.7	56.2	0	0	0	0	121.3
180	F	26.5	Very low	30.2	Very low	193 Å²	193	140.7 Å²	140.7	85%	0.846	78%	0.783	S	S	*	*				-150.5	176.7	117.6	-157.2	-112.3	0	0	0	112.5
181	T	31.2	Very low	30.2	Very low	117 Å²	117	135 Å²	135	72%	0.718	78%	0.78	S	S	*	*			trans	-110.2	157	-168.3	61.3	0	0	0	0	113.7
182	G	28.4	Very low	30.2	Very low	78 Å²	78	129 Å²	129	80%	0.804	77%	0.767	S	S	*	*			trans	-174.9	130.7	169.4	0	0	0	0	0	112.4
183	K	31.1	Very low	30.4	Very low	205 Å²	205	132.8 Å²	132.8	89%	0.891	77%	0.769	S	S	*	*			trans	-125	140	174	-68.2	179	-179.7	175	0	109.6
184	S	31	Very low	30.4	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	77%	0.767	S	S	*	*				148.2	147	115.4	64.9	0	0	0	0	115.3
185	N	29.7	Very low	30.4	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	76%	0.764	S	S	*	*			trans	63.3	119.6	143.2	-64.8	8.1	0	0	0	122.9
186	H	31.8	Very low	30.7	Very low	169 Å²	169	137.9 Å²	137.9	78%	0.782	75%	0.753	S	S	*	*			trans	45.3	127.9	132.3	-44.9	-50.6	0	0	0	119.2
187	H	27.5	Very low	30.5	Very low	176 Å²	176	137.6 Å²	137.6	82%	0.815	75%	0.745	S	S	*	*				-158	-176.3	65.2	-168.2	54.3	0	0	0	112.4
188	C	28.4	Very low	31.2	Very low	94 Å²	94	137.9 Å²	137.9	64%	0.635	74%	0.744	S	S	*	*			trans	-129.3	140.8	179	179.7	0	0	0	0	109.8
189	H	28.5	Very low	31.3	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	74%	0.737	S	S	*	*			trans	-148.2	165	163.2	-125.4	-93.2	0	0	0	112.1
190	V	28.3	Very low	31.4	Very low	116 Å²	116	140.3 Å²	140.3	70%	0.703	74%	0.742	S	S	*	*			trans	-132.2	163.6	-151	179.2	0	0	0	0	112.6
191	S	31.8	Very low	32.1	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	74%	0.739	S	S	*	*			trans	87.1	160.8	163.8	84.3	0	0	0	0	116.8
192	A	32.1	Very low	32.2	Very low	76 Å²	76	137.7 Å²	137.7	63%	0.628	74%	0.744	S	S	*	*			cis	-149.5	-169.1	9.5	0	0	0	0	0	113.4
193	Y	32.6	Very low	32.8	Very low	207 Å²	207	139.5 Å²	139.5	81%	0.812	74%	0.742	S	S	*	*			trans	72.4	104.3	177.4	-61.9	-76.9	0	0	0	116.3
194	E	32.2	Very low	32.9	Very low	147 Å²	147	135 Å²	135	69%	0.687	74%	0.735	S	S	*	*			cis	93.8	103.9	12.2	-153.9	-152.5	174.1	0	0	117.9
195	K	33	Very low	33.2	Very low	174 Å²	174	136.6 Å²	136.6	76%	0.757	74%	0.744	S	S	*	*				169.1	126.2	128.4	-88.9	155.4	-173.9	175.9	0	109
196	S	35.7	Very low	33.1	Very low	88 Å²	88	135.5 Å²	135.5	62%	0.615	75%	0.746	S	S	*	*			cis	79.9	141.8	31.8	88.4	0	0	0	0	114.4
197	F	29.4	Very low	33	Very low	166 Å²	166	139 Å²	139	73%	0.728	75%	0.752	S	S	*	*			cis	-157.6	150	-13.8	-128.5	-33.1	0	0	0	109.8	I199	F197-I199 HydrophobicContact CB-CD1 4.34Å; F197-I199 HydrophobicContact CD1-CD1 3.97Å; F197-I199 HydrophobicContact CD1-CG1 3.92Å; F197-I199 HydrophobicContact CD2-CD1 3.88Å; F197-I199 HydrophobicContact CE1-CD1 4.21Å; F197-I199 HydrophobicContact CE1-CG1 3.97Å; F197-I199 HydrophobicContact CE2-CD1 4.13Å; F197-I199 HydrophobicContact CG-CD1 3.81Å; F197-I199 HydrophobicContact CG-CG1 4.29Å; F197-I199 HydrophobicContact CZ-CD1 4.29Å; F197-I199 HydrophobicContact CZ-CG1 4.37Å
198	P	45.9	Very low	33.1	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	75%	0.748	S	S	*	*				-147.7	178.3	90	35.9	-14.5	0	0	0	113.3
199	I	33.1	Very low	33	Very low	119 Å²	119	134.9 Å²	134.9	61%	0.61	76%	0.757	S	S	*	*			cis	89.3	127.6	14.5	-57.2	164.4	0	0	0	112.6	F197	F197-I199 HydrophobicContact CB-CD1 4.34Å; F197-I199 HydrophobicContact CD1-CD1 3.97Å; F197-I199 HydrophobicContact CD1-CG1 3.92Å; F197-I199 HydrophobicContact CD2-CD1 3.88Å; F197-I199 HydrophobicContact CE1-CD1 4.21Å; F197-I199 HydrophobicContact CE1-CG1 3.97Å; F197-I199 HydrophobicContact CE2-CD1 4.13Å; F197-I199 HydrophobicContact CG-CD1 3.81Å; F197-I199 HydrophobicContact CG-CG1 4.29Å; F197-I199 HydrophobicContact CZ-CD1 4.29Å; F197-I199 HydrophobicContact CZ-CG1 4.37Å
200	K	30.4	Very low	33	Very low	197 Å²	197	132.8 Å²	132.8	86%	0.857	76%	0.762	S	S	*	*			cis	-129.7	154	17.2	-62.8	-178.2	176.2	178.8	0	115.2
201	P	43	Very low	32.9	Very low	121 Å²	121	133 Å²	133	79%	0.786	77%	0.767	S	S	*	*			trans	-112.1	-168.9	166.4	42.5	-33.3	0	0	0	113.3
202	V	32.2	Very low	32.9	Very low	134 Å²	134	139.6 Å²	139.6	81%	0.812	77%	0.774	S	S	*	*			trans	137.5	146.4	158.5	159.5	0	0	0	0	112.3
203	P	42	Very low	32.8	Very low	117 Å²	117	146.5 Å²	146.5	76%	0.76	78%	0.784	S	S	*	*			cis	-123.6	177.3	-19.2	29.8	-10.1	0	0	0	115.2
204	S	32.3	Very low	32.5	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	78%	0.784	S	S	*	*			trans	-130.3	144	157.7	-55.5	0	0	0	0	110.3
205	P	36.8	Very low	32.5	Very low	136 Å²	136	141.8 Å²	141.8	88%	0.883	79%	0.786	S	S	*	*			trans	-76.9	149	166.9	-13.8	30.3	0	0	0	112.3
206	S	28.7	Very low	32.5	Very low	103 Å²	103	142 Å²	142	72%	0.72	80%	0.795	S	S	*	*			trans	-141.8	135.4	-171	59.8	0	0	0	0	114.1
207	W	29.9	Very low	32.3	Very low	242 Å²	242	143.3 Å²	143.3	92%	0.917	80%	0.804	S	S	*	*			trans	-145.6	107.7	160.8	-72.1	85.2	0	0	0	106.5
208	S	29.3	Very low	32.5	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	81%	0.806	S	S	*	*				57.2	122.5	86.1	72.3	0	0	0	0	113.8
209	G	26.4	Very low	31.7	Very low	80 Å²	80	145.7 Å²	145.7	83%	0.825	82%	0.815	S	S	*	*			cis	-159.9	-154.5	-1.2	0	0	0	0	0	109.2
210	S	27.1	Very low	31.7	Very low	128 Å²	128	149.7 Å²	149.7	90%	0.895	83%	0.828	S	S	*	*			cis	-156.5	-172.8	-4.1	-168.1	0	0	0	0	109
211	C	27.8	Very low	31.8	Very low	120 Å²	120	147.9 Å²	147.9	81%	0.811	83%	0.826	S	S	*	*			trans	-110.8	140.6	-170.3	-60.8	0	0	0	0	116.1
212	R	31.4	Very low	31.3	Very low	254 Å²	254	150.7 Å²	150.7	96%	0.958	83%	0.829	S	S	*	*				-153.4	160.7	126.1	-136	169	-80.4	-116.2	5.4	111.8
213	R	30	Very low	31.2	Very low	220 Å²	220	155.2 Å²	155.2	83%	0.83	83%	0.831	S	S	*	*			trans	-127.3	139.7	-168.9	-172.1	-170.3	-60.2	179.7	2.2	109.3
214	S	25.6	Very low	30.9	Very low	117 Å²	117	160.1 Å²	160.1	82%	0.818	83%	0.834	S	S	*	*			trans	-132	149.4	164.7	-172.2	0	0	0	0	109.1
215	L	33.6	Very low	31	Very low	139 Å²	139	162.4 Å²	162.4	73%	0.728	83%	0.833	S	S	*	*			trans	-133	106.1	-173.5	-73.4	173.9	0	0	0	110.6
216	L	31.7	Very low	31	Very low	178 Å²	178	162.8 Å²	162.8	93%	0.932	82%	0.821	S	S	*	*			trans	-141.2	153.2	156.9	-74.7	-179.4	0	0	0	109.6
217	S	30.8	Very low	31.5	Very low	116 Å²	116	160.5 Å²	160.5	81%	0.811	81%	0.805	S	S	*	*			trans	-93.5	179.4	-168	-47.1	0	0	0	0	113
218	P	33.6	Very low	32.8	Very low	120 Å²	120	152 Å²	152	78%	0.779	78%	0.78	S	S	*	*			cis	-115.4	173.6	-27.8	36.8	-24.5	0	0	0	111.6	K220	P218-K220 PolarHBondContact O-N 3.47Å
219	K	30.3	Very low	33.1	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	78%	0.777	S	S	*	*			trans	-71.7	108.7	-178.9	-67.8	180	-179.6	176.4	0	112.5	I221	K219-I221 PolarHBondContact O-N 3.2Å
220	K	32.7	Very low	33.8	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67	121.3	156.4	-72.4	-176.6	177.8	179.5	0	108.8	P218	P218-K220 PolarHBondContact O-N 3.47Å
221	I	31.9	Very low	34.7	Very low	159 Å²	159	151.3 Å²	151.3	82%	0.815	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-69.5	138.8	166.2	-66.1	172.1	0	0	0	107.6	K219 R223	K219-I221 PolarHBondContact O-N 3.2Å; I221-R223 PolarHBondContact O-N 3.29Å
222	Q	32.8	Very low	35.9	Very low	180 Å²	180	148.6 Å²	148.6	84%	0.841	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.2	176.5	-72.9	177.7	-51.8	0	0	109.8	R224	Q222-R224 PolarHBondContact O-N 3.18Å
223	R	29.9	Very low	36.6	Very low	228 Å²	228	140 Å²	140	86%	0.86	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-57.9	123.7	157.4	-78.5	-178.4	168.6	172.5	-6	107.5	I221	I221-R223 PolarHBondContact O-N 3.29Å
224	R	35.7	Very low	37.7	Very low	220 Å²	220	133.9 Å²	133.9	83%	0.83	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-81.3	138	157.3	-65.4	-176.6	-175.8	167.8	4	106.7	Q222	Q222-R224 PolarHBondContact O-N 3.18Å
225	H	34.7	Very low	39	Very low	158 Å²	158	133.9 Å²	133.9	73%	0.731	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-77.7	133.9	177.5	-72.6	-113.9	0	0	0	109.2
226	F	38	Very low	40.3	Very low	143 Å²	143	133.7 Å²	133.7	63%	0.627	66%	0.662	S	S	*	*			trans	-108.3	82.5	175.1	-75.7	-82.8	0	0	0	108.3	T228	F226-T228 PolarHBondContact O-N 3.23Å
227	S	39.3	Very low	41.5	Very low	55 Å²	55	130.6 Å²	130.6	39%	0.385	64%	0.643	S	S	.	*			trans	-62.1	124.5	-175.1	-155.4	0	0	0	0	111.3	E231 T232	S227-E231 WeakPolarHBondContact CA-OE2 3.32Å; S227-E231 WeakPolarHBondContact OG-CB 3.24Å; S227-T232 VanDerWaalsContact OG-CG2 3.27Å; S227-T232 WeakPolarHBondContact OG-CG2 3.42Å; S227-T232 PolarHBondContact OG-N 3.23Å
228	T	55.5	Low	43.3	Very low	65 Å²	65	129.9 Å²	129.9	40%	0.399	63%	0.625	S	S	.	*			trans	-79.2	168.7	167.2	69.1	0	0	0	0	110.3	F226 E230 E231 T232	F226-T228 PolarHBondContact O-N 3.23Å; T228-E230 PolarHBondContact O-N 2.76Å; T228-E230 PolarHBondContact OG1-N 3.36Å; T228-E231 PolarHBondContact O-N 3.04Å; T228-E231 VanDerWaalsContact O-N 3.08Å; T228-E231 WeakPolarHBondContact OG1-CB 3.5Å; T228-E231 PolarHBondContact OG1-N 3.28Å; T228-T232 PolarHBondContact O-N 3.47Å; T228-T232 PolarHBondContact O-OG1 3.4Å
229	A	37.2	Very low	45	Very low	79 Å²	79	127.8 Å²	127.8	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-57.3	-36.1	173.9	0	0	0	0	0	112.4	T232 V233	A229-T232 WeakPolarHBondContact CA-OG1 3.29Å; A229-T232 PolarHBondContact O-OG1 2.87Å; A229-V233 VanDerWaalsContact O-CG2 3.32Å; A229-V233 WeakPolarHBondContact O-CG2 3.21Å; A229-V233 PolarHBondContact O-N 3.22Å; A229-V233 VanDerWaalsContact O-N 3.14Å
230	E	40.1	Very low	47	Very low	148 Å²	148	122.3 Å²	122.3	69%	0.692	58%	0.584	S	S	*	*	H	α-helix	trans	-71.9	-37.7	174.6	-60.6	176.8	147.6	0	0	112.1	T228 V233 Q234	T228-E230 PolarHBondContact O-N 2.76Å; T228-E230 PolarHBondContact OG1-N 3.36Å; E230-V233 PolarHBondContact O-N 3.47Å; E230-Q234 WeakPolarHBondContact O-CB 3.5Å; E230-Q234 VanDerWaalsContact O-CG 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 3.18Å; E230-Q234 PolarHBondContact O-N 3.13Å
231	E	46.4	Very low	48.4	Very low	69 Å²	69	120 Å²	120	32%	0.322	57%	0.571	S	S	.	*	H	α-helix	trans	-69.2	-37.4	176.8	-167.5	174	-175	0	0	111.3	S227 T228 E235	S227-E231 WeakPolarHBondContact CA-OE2 3.32Å; S227-E231 WeakPolarHBondContact OG-CB 3.24Å; T228-E231 PolarHBondContact O-N 3.04Å; T228-E231 VanDerWaalsContact O-N 3.08Å; T228-E231 WeakPolarHBondContact OG1-CB 3.5Å; T228-E231 PolarHBondContact OG1-N 3.28Å; E231-E235 VanDerWaalsContact O-CB 3.24Å; E231-E235 WeakPolarHBondContact O-CB 3.29Å; E231-E235 PolarHBondContact O-N 2.63Å
232	T	51.9	Low	50.2	Low	63 Å²	63	118.2 Å²	118.2	39%	0.387	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-45.9	171.6	47.1	0	0	0	0	112.1	S227 T228 A229 E235 E236	S227-T232 VanDerWaalsContact OG-CG2 3.27Å; S227-T232 WeakPolarHBondContact OG-CG2 3.42Å; S227-T232 PolarHBondContact OG-N 3.23Å; T228-T232 PolarHBondContact O-N 3.47Å; T228-T232 PolarHBondContact O-OG1 3.4Å; A229-T232 WeakPolarHBondContact CA-OG1 3.29Å; A229-T232 PolarHBondContact O-OG1 2.87Å; T232-E235 PolarHBondContact O-N 3.42Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.18Å
233	V	46.6	Very low	51.9	Low	73 Å²	73	114.9 Å²	114.9	44%	0.442	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-46.8	178.4	167.8	0	0	0	0	110.2	A229 E230 E235 E236 E237	A229-V233 VanDerWaalsContact O-CG2 3.32Å; A229-V233 WeakPolarHBondContact O-CG2 3.21Å; A229-V233 PolarHBondContact O-N 3.22Å; A229-V233 VanDerWaalsContact O-N 3.14Å; E230-V233 PolarHBondContact O-N 3.47Å; V233-E235 VanDerWaalsContact C-N 3.29Å; V233-E235 PolarHBondContact O-N 3.4Å; V233-E236 PolarHBondContact O-N 2.91Å; V233-E237 HydrophobicContact CG1-CG 4.4Å; V233-E237 WeakPolarHBondContact O-CB 3.5Å; V233-E237 VanDerWaalsContact O-CG 3.29Å; V233-E237 WeakPolarHBondContact O-CG 3.43Å; V233-E237 PolarHBondContact O-N 2.6Å
234	Q	52.5	Low	53.4	Low	92 Å²	92	107.9 Å²	107.9	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-31.5	175.8	-75.7	-172.7	28.3	0	0	113.4	E230 K238	E230-Q234 WeakPolarHBondContact O-CB 3.5Å; E230-Q234 VanDerWaalsContact O-CG 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 3.18Å; E230-Q234 PolarHBondContact O-N 3.13Å; Q234-K238 VanDerWaalsContact O-CB 3.26Å; Q234-K238 WeakPolarHBondContact O-CB 3.15Å; Q234-K238 WeakPolarHBondContact O-CD 3.23Å; Q234-K238 WeakPolarHBondContact O-CE 3.18Å; Q234-K238 WeakPolarHBondContact O-CG 3.41Å; Q234-K238 PolarHBondContact O-N 2.99Å
235	E	54.1	Low	54.7	Low	118 Å²	118	100.9 Å²	100.9	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-76.2	-35.7	179.2	-169.2	155.6	-127.3	0	0	111.8	E231 T232 V233 E239	E231-E235 VanDerWaalsContact O-CB 3.24Å; E231-E235 WeakPolarHBondContact O-CB 3.29Å; E231-E235 PolarHBondContact O-N 2.63Å; T232-E235 PolarHBondContact O-N 3.42Å; V233-E235 VanDerWaalsContact C-N 3.29Å; V233-E235 PolarHBondContact O-N 3.4Å; E235-E239 PolarHBondContact O-N 3.48Å
236	E	60.1	Low	56.3	Low	134 Å²	134	97.5 Å²	97.5	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-45.8	167.6	-71.3	-174.4	176.3	0	0	111.8	T232 V233 K238 E239 I240	T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.18Å; V233-E236 PolarHBondContact O-N 2.91Å; E236-K238 VanDerWaalsContact C-N 3.35Å; E236-K238 PolarHBondContact O-N 2.85Å; E236-E239 PolarHBondContact O-N 3.41Å; E236-E239 VanDerWaalsContact O-N 3.11Å; E236-I240 WeakPolarHBondContact O-CG1 3.29Å; E236-I240 PolarHBondContact O-N 3.06Å
237	E	56.8	Low	57	Low	114 Å²	114	97.1 Å²	97.1	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-59.8	-42.4	174.5	-74.3	173.6	165.4	0	0	112	V233 E239 I240 Y241	V233-E237 HydrophobicContact CG1-CG 4.4Å; V233-E237 WeakPolarHBondContact O-CB 3.5Å; V233-E237 VanDerWaalsContact O-CG 3.29Å; V233-E237 WeakPolarHBondContact O-CG 3.43Å; V233-E237 PolarHBondContact O-N 2.6Å; E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 2.67Å; E237-I240 PolarHBondContact O-N 3.01Å; E237-Y241 VanDerWaalsContact O-CB 3.3Å; E237-Y241 WeakPolarHBondContact O-CB 3.32Å; E237-Y241 PolarHBondContact O-N 3.39Å
238	K	69.9	Low	57.8	Low	101 Å²	101	100.1 Å²	100.1	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-28.8	175.5	-73.2	159.2	-159.7	161.4	0	112.4	Q234 E236 R242	Q234-K238 VanDerWaalsContact O-CB 3.26Å; Q234-K238 WeakPolarHBondContact O-CB 3.15Å; Q234-K238 WeakPolarHBondContact O-CD 3.23Å; Q234-K238 WeakPolarHBondContact O-CE 3.18Å; Q234-K238 WeakPolarHBondContact O-CG 3.41Å; Q234-K238 PolarHBondContact O-N 2.99Å; E236-K238 VanDerWaalsContact C-N 3.35Å; E236-K238 PolarHBondContact O-N 2.85Å; K238-R242 WeakPolarHBondContact O-CG 3.36Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.12Å; K238-R242 PolarHBondContact O-NH1 2.93Å
239	E	69.6	Low	58.4	Low	76 Å²	76	100.2 Å²	100.2	36%	0.355	50%	0.499	S	S	.	.	H	α-helix	trans	-75.8	-44	173.3	-178.5	55.1	-151.2	0	0	111.9	E235 E236 E237 Y241 R242 Q243	E235-E239 PolarHBondContact O-N 3.48Å; E236-E239 PolarHBondContact O-N 3.41Å; E236-E239 VanDerWaalsContact O-N 3.11Å; E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 2.67Å; E239-Y241 VanDerWaalsContact C-N 3.3Å; E239-Y241 PolarHBondContact O-N 2.89Å; E239-R242 WeakPolarHBondContact O-CB 3.17Å; E239-R242 PolarHBondContact O-N 2.87Å; E239-R242 VanDerWaalsContact O-N 3.17Å; E239-R242 IonicContact OE2-CZ 2.8Å; E239-R242 IonicContact OE2-NE 2.61Å; E239-R242 PolarHBondContact OE2-NE 3.19Å; E239-R242 IonicContact OE2-NH2 2.69Å; E239-R242 PolarHBondContact OE2-NH2 2.64Å; E239-Q243 WeakPolarHBondContact O-CG 3.41Å; E239-Q243 PolarHBondContact O-N 3.01Å; E239-Q243 PolarHBondContact OE1-NE2 3Å
240	I	71.2	Confident	59.4	Low	89 Å²	89	99.8 Å²	99.8	46%	0.456	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-43	173.7	-67.3	164.3	0	0	0	110.4	E236 E237 Q243 L244	E236-I240 WeakPolarHBondContact O-CG1 3.29Å; E236-I240 PolarHBondContact O-N 3.06Å; E237-I240 PolarHBondContact O-N 3.01Å; I240-Q243 PolarHBondContact O-N 3.42Å; I240-L244 HydrophobicContact CG2-CD1 4.28Å; I240-L244 PolarHBondContact O-N 2.86Å
241	Y	62.2	Low	60.2	Low	157 Å²	157	99.9 Å²	99.9	62%	0.616	50%	0.5	S	S	*	.	H	α-helix	trans	-65.5	-36.8	176.5	-167.1	-105.3	0	0	0	112.7	E237 E239 L245	E237-Y241 VanDerWaalsContact O-CB 3.3Å; E237-Y241 WeakPolarHBondContact O-CB 3.32Å; E237-Y241 PolarHBondContact O-N 3.39Å; E239-Y241 VanDerWaalsContact C-N 3.3Å; E239-Y241 PolarHBondContact O-N 2.89Å; Y241-L245 HydrophobicContact CD1-CD1 3.77Å; Y241-L245 HydrophobicContact CE1-CD1 3.52Å; Y241-L245 HydrophobicContact CE1-CG 4.35Å; Y241-L245 WeakPolarHBondContact O-CB 3.43Å; Y241-L245 PolarHBondContact O-N 2.89Å
242	R	70.5	Confident	60.4	Low	121 Å²	121	104.9 Å²	104.9	46%	0.457	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-44.3	170.7	-83.5	-173.9	-65	-88.8	7.7	112.1	K238 E239 L245 Q246	K238-R242 WeakPolarHBondContact O-CG 3.36Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.12Å; K238-R242 PolarHBondContact O-NH1 2.93Å; E239-R242 WeakPolarHBondContact O-CB 3.17Å; E239-R242 PolarHBondContact O-N 2.87Å; E239-R242 VanDerWaalsContact O-N 3.17Å; E239-R242 IonicContact OE2-CZ 2.8Å; E239-R242 IonicContact OE2-NE 2.61Å; E239-R242 PolarHBondContact OE2-NE 3.19Å; E239-R242 IonicContact OE2-NH2 2.69Å; E239-R242 PolarHBondContact OE2-NH2 2.64Å; R242-L245 PolarHBondContact O-N 2.8Å; R242-Q246 WeakPolarHBondContact O-CB 3.46Å; R242-Q246 PolarHBondContact O-N 3.44Å
243	Q	67.8	Low	60.4	Low	110 Å²	110	109 Å²	109	51%	0.514	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-39.8	-179.2	-69.2	175.5	19	0	0	111.6	E239 I240 Q246 M247	E239-Q243 WeakPolarHBondContact O-CG 3.41Å; E239-Q243 PolarHBondContact O-N 3.01Å; E239-Q243 PolarHBondContact OE1-NE2 3Å; I240-Q243 PolarHBondContact O-N 3.42Å; Q243-Q246 PolarHBondContact O-N 3.44Å; Q243-M247 WeakPolarHBondContact O-CB 3.4Å; Q243-M247 PolarHBondContact O-N 3.42Å
244	L	61.8	Low	60.1	Low	80 Å²	80	111.6 Å²	111.6	42%	0.419	56%	0.558	S	S	.	*	H	α-helix	trans	-60	-48.9	169.9	-87.6	158.7	0	0	0	112.3	I240 Q246 M247 V248	I240-L244 HydrophobicContact CG2-CD1 4.28Å; I240-L244 PolarHBondContact O-N 2.86Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 3.09Å; L244-M247 HydrophobicContact CD2-CE 4.22Å; L244-M247 PolarHBondContact O-N 3.3Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 WeakPolarHBondContact O-CG2 3.35Å; L244-V248 PolarHBondContact O-N 3.48Å
245	L	62.9	Low	59.7	Low	73 Å²	73	113.3 Å²	113.3	38%	0.382	57%	0.574	S	S	.	*	H	α-helix	trans	-59.1	-42.1	176.4	-90.4	165	0	0	0	112.7	Y241 R242 T249	Y241-L245 HydrophobicContact CD1-CD1 3.77Å; Y241-L245 HydrophobicContact CE1-CD1 3.52Å; Y241-L245 HydrophobicContact CE1-CG 4.35Å; Y241-L245 WeakPolarHBondContact O-CB 3.43Å; Y241-L245 PolarHBondContact O-N 2.89Å; R242-L245 PolarHBondContact O-N 2.8Å; L245-T249 HydrophobicContact CD2-CG2 4.38Å; L245-T249 WeakPolarHBondContact O-CB 3.38Å; L245-T249 WeakPolarHBondContact O-CG2 3.43Å; L245-T249 PolarHBondContact O-N 3.26Å; L245-T249 PolarHBondContact O-OG1 3.06Å
246	Q	67.1	Low	58.7	Low	87 Å²	87	112.2 Å²	112.2	41%	0.407	59%	0.586	S	S	.	*	H	α-helix	trans	-65.5	-40.3	176.9	-179.2	173	-20.1	0	0	111.8	R242 Q243 L244 G250	R242-Q246 WeakPolarHBondContact O-CB 3.46Å; R242-Q246 PolarHBondContact O-N 3.44Å; Q243-Q246 PolarHBondContact O-N 3.44Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 3.09Å; Q246-G250 WeakPolarHBondContact O-CA 3.38Å; Q246-G250 PolarHBondContact O-N 2.67Å
247	M	53.5	Low	57.7	Low	135 Å²	135	114.8 Å²	114.8	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-69.9	-37.1	179.3	-169.7	172.1	68.2	0	0	112.7	Q243 L244	Q243-M247 WeakPolarHBondContact O-CB 3.4Å; Q243-M247 PolarHBondContact O-N 3.42Å; L244-M247 HydrophobicContact CD2-CE 4.22Å; L244-M247 PolarHBondContact O-N 3.3Å
248	V	55.6	Low	56.4	Low	118 Å²	118	115.1 Å²	115.1	72%	0.715	61%	0.606	S	S	*	*	H	α-helix	trans	-82.4	-31.5	-179.3	174.9	0	0	0	0	112.8	L244	L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 WeakPolarHBondContact O-CG2 3.35Å; L244-V248 PolarHBondContact O-N 3.48Å
249	T	68.4	Low	54.8	Low	68 Å²	68	116 Å²	116	42%	0.417	62%	0.621	S	S	.	*	H	α-helix	trans	-103.2	-9.5	-175.8	68.7	0	0	0	0	115	L245 K251	L245-T249 HydrophobicContact CD2-CG2 4.38Å; L245-T249 WeakPolarHBondContact O-CB 3.38Å; L245-T249 WeakPolarHBondContact O-CG2 3.43Å; L245-T249 PolarHBondContact O-N 3.26Å; L245-T249 PolarHBondContact O-OG1 3.06Å; T249-K251 PolarHBondContact O-N 3.21Å
250	G	57.4	Low	53.1	Low	69 Å²	69	118.8 Å²	118.8	71%	0.711	64%	0.643	S	S	*	*			trans	67.8	1	177.1	0	0	0	0	0	116.1	Q246	Q246-G250 WeakPolarHBondContact O-CA 3.38Å; Q246-G250 PolarHBondContact O-N 2.67Å
251	K	58.3	Low	51.2	Low	151 Å²	151	121.4 Å²	121.4	66%	0.657	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-96	129.4	-177.4	-69.7	177.5	-178.5	175.5	0	111.3	T249	T249-K251 PolarHBondContact O-N 3.21Å
252	Q	49.5	Very low	49.8	Very low	173 Å²	173	122.3 Å²	122.3	81%	0.808	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-78.8	136.4	168.2	-71.5	-169	3.2	0	0	111
253	F	53.5	Low	48	Very low	149 Å²	149	121.8 Å²	121.8	65%	0.654	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-101.5	127.1	169.5	-61.8	-86.7	0	0	0	109.2
254	S	39	Very low	46.1	Very low	129 Å²	129	125 Å²	125	90%	0.902	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-88	137.1	-173.5	57.1	0	0	0	0	112.8
255	V	44	Very low	44.4	Very low	127 Å²	127	129.2 Å²	129.2	77%	0.77	71%	0.71	S	S	*	*			trans	-110.9	135.7	-177.4	174.9	0	0	0	0	111.1	K257	V255-K257 PolarHBondContact O-N 3.28Å
256	A	33.8	Very low	42.8	Very low	96 Å²	96	134 Å²	134	79%	0.793	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-74	116.2	167.6	0	0	0	0	0	110.1
257	K	39.1	Very low	41	Very low	188 Å²	188	134 Å²	134	82%	0.817	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.2	140.9	-168.2	-62.6	178.8	-179.7	178	0	114.1	V255	V255-K257 PolarHBondContact O-N 3.28Å
258	P	29.9	Very low	39.8	Very low	120 Å²	120	138.6 Å²	138.6	78%	0.779	75%	0.754	S	S	*	*	P	Polyproline II helix		-93.3	152.7	124.9	-18.2	33.5	0	0	0	111.3
259	T	35.2	Very low	38.4	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-95.6	116.8	-169.8	-55.3	0	0	0	0	113.3
260	T	33.8	Very low	36.5	Very low	134 Å²	134	142.5 Å²	142.5	82%	0.822	78%	0.776	S	S	*	*			trans	-132.5	109	164.2	49.8	0	0	0	0	111.9
261	H	32.5	Very low	35	Very low	144 Å²	144	144.6 Å²	144.6	67%	0.667	78%	0.78	S	S	*	*			trans	-79.1	155.6	153.8	-86.6	-115.9	0	0	0	108.7
262	F	31.2	Very low	33.7	Very low	176 Å²	176	143.3 Å²	143.3	77%	0.772	79%	0.79	S	S	*	*			cis	-138	169.7	11.4	-95.1	-72.7	0	0	0	110
263	P	32.8	Very low	32.7	Very low	110 Å²	110	141.4 Å²	141.4	71%	0.714	79%	0.785	S	S	*	*			trans	-84.7	162.7	-177.1	36	-35.2	0	0	0	113.6
264	L	27.8	Very low	31.6	Very low	178 Å²	178	142.6 Å²	142.6	93%	0.932	79%	0.79	S	S	*	*			trans	-99.5	117.6	163.9	-70.9	176.9	0	0	0	110.1
265	H	27.4	Very low	31.1	Very low	168 Å²	168	143.5 Å²	143.5	78%	0.778	79%	0.785	S	S	*	*			trans	-104.8	102.8	176.8	-176.3	-81.4	0	0	0	109.6
266	L	28.7	Very low	30.3	Very low	172 Å²	172	142.2 Å²	142.2	90%	0.901	78%	0.781	S	S	*	*			trans	-98.4	99.7	173.2	-98.8	165.3	0	0	0	109.8	R268	L266-R268 PolarHBondContact O-N 2.81Å
267	S	29.6	Very low	30.1	Very low	88 Å²	88	145.2 Å²	145.2	62%	0.615	78%	0.783	S	S	*	*			trans	-71.9	114.8	-179.4	50.1	0	0	0	0	111.7
268	R	29.2	Very low	29.6	Very low	232 Å²	232	143.4 Å²	143.4	88%	0.875	78%	0.775	S	S	*	*			trans	-101	99.2	172.1	-166.9	-177.5	-159.6	169.8	6.1	109.7	L266	L266-R268 PolarHBondContact O-N 2.81Å
269	C	25.6	Very low	29.5	Very low	122 Å²	122	144 Å²	144	82%	0.824	77%	0.772	S	S	*	*			trans	-101.5	113.7	172.1	-65.3	0	0	0	0	109.6
270	L	27.8	Very low	29	Very low	146 Å²	146	142.9 Å²	142.9	76%	0.764	77%	0.769	S	S	*	*			trans	-117.5	137.6	162.8	-96.3	168.4	0	0	0	109.2
271	S	27.3	Very low	28.8	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	77%	0.766	S	S	*	*			trans	-36.5	130.3	179.2	50.1	0	0	0	0	116.9
272	S	29.2	Very low	28.7	Very low	124 Å²	124	143.4 Å²	143.4	87%	0.867	77%	0.77	S	S	*	*				-136.7	156.9	129.1	-167.9	0	0	0	0	108.8
273	N	28.5	Very low	28.5	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	77%	0.773	S	S	*	*			trans	-142.6	146.9	-164.4	-168.4	3.4	0	0	0	110.7
274	K	31	Very low	28.3	Very low	173 Å²	173	146.8 Å²	146.8	75%	0.752	77%	0.774	S	S	*	*			trans	68.4	151.3	179.6	-61.9	178.7	-177	178.3	0	114.4
275	N	28.8	Very low	28.3	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	76%	0.761	S	S	*	*			cis	-136	172.7	6.3	-119.6	-7.5	0	0	0	112.2
276	S	27.8	Very low	28.5	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	77%	0.766	S	S	*	*			trans	-93	155.7	-175.2	50.3	0	0	0	0	114.6
277	L	28.1	Very low	28.5	Very low	159 Å²	159	137.9 Å²	137.9	83%	0.832	76%	0.758	S	S	*	*			trans	150.6	145.8	135.6	-79.9	163.5	0	0	0	108.7
278	K	30.4	Very low	28.4	Very low	150 Å²	150	139.8 Å²	139.8	65%	0.652	77%	0.769	S	S	*	*			cis	156.9	128.3	-24	175	-174.5	-173	-52.3	0	103.7
279	D	26.1	Very low	28.3	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	76%	0.761	S	S	*	*			trans	61.9	161.8	177.1	-50.1	-21.5	0	0	0	114.4
280	S	26	Very low	28.4	Very low	99 Å²	99	131.8 Å²	131.8	69%	0.692	76%	0.756	S	S	*	*			cis	-176.1	156.1	-26.5	173.5	0	0	0	0	106.8
281	L	28.6	Very low	28.4	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	76%	0.758	S	S	*	*			trans	146.3	140.2	138.7	-77.9	164.8	0	0	0	114.7
282	L	29.8	Very low	28.6	Very low	147 Å²	147	133.9 Å²	133.9	77%	0.77	76%	0.757	S	S	*	*			trans	45.3	117.8	148.7	-55.4	171.9	0	0	0	118.6
283	R	28.5	Very low	28.7	Very low	216 Å²	216	136.3 Å²	136.3	82%	0.815	76%	0.759	S	S	*	*			cis	72.4	131	32.5	-150.4	-150.6	175.5	-168.8	-1.9	115.1
284	N	28.6	Very low	28.7	Very low	140 Å²	140	133 Å²	133	75%	0.749	76%	0.755	S	S	*	*			trans	76.6	140.5	179.6	-57.2	-4.7	0	0	0	114.9
285	G	26.9	Very low	28.8	Very low	64 Å²	64	129.9 Å²	129.9	66%	0.66	76%	0.756	S	S	*	*			cis	145.4	154.7	-11.9	0	0	0	0	0	114.2
286	N	32.2	Very low	28.9	Very low	165 Å²	165	129.1 Å²	129.1	88%	0.882	75%	0.752	S	S	*	*			trans	68.4	153	168.9	-62.5	1	0	0	0	116.5
287	S	28.6	Very low	29.2	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	75%	0.752	S	S	*	*			cis	-169.8	139.4	-19.9	49.1	0	0	0	0	112.8
288	C	26.5	Very low	29.3	Very low	127 Å²	127	128 Å²	128	86%	0.858	75%	0.753	S	S	*	*			trans	51.4	149.5	134.5	-147.6	0	0	0	0	123.7
289	A	28.5	Very low	29.5	Very low	86 Å²	86	125.9 Å²	125.9	71%	0.711	76%	0.756	S	S	*	*			trans	75.6	157.7	161.5	0	0	0	0	0	117.1
290	S	27.7	Very low	29.7	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	76%	0.764	S	S	*	*			cis	-153.5	163.6	12.7	-33.2	0	0	0	0	115.3
291	H	28.1	Very low	29.8	Very low	175 Å²	175	124 Å²	124	81%	0.81	77%	0.765	S	S	*	*			trans	52.5	108.3	147.5	-67.6	-63.3	0	0	0	125.4
292	V	31	Very low	29.8	Very low	127 Å²	127	123.5 Å²	123.5	77%	0.77	77%	0.773	S	S	*	*				10.3	135.4	122.9	-168	0	0	0	0	121.3
293	I	30.1	Very low	29.7	Very low	175 Å²	175	121 Å²	121	90%	0.897	77%	0.774	S	S	*	*			trans	156.2	140	141.1	-82.5	156	0	0	0	107.2
294	G	29.7	Very low	29.6	Very low	63 Å²	63	116 Å²	116	65%	0.649	77%	0.772	S	S	*	*			cis	173.6	167.8	-6.4	0	0	0	0	0	111.1
295	S	33.3	Very low	29.7	Very low	108 Å²	108	116.9 Å²	116.9	76%	0.755	78%	0.775	S	S	*	*			trans	62.4	170.1	167.5	-68.2	0	0	0	0	119.9
296	D	31.2	Very low	29.7	Very low	133 Å²	133	121 Å²	121	71%	0.711	78%	0.781	S	S	*	*			cis	-175.8	159.5	-41.5	-82.4	-34.6	0	0	0	107.5
297	T	32.7	Very low	29.4	Very low	115 Å²	115	118.9 Å²	118.9	71%	0.706	77%	0.774	S	S	*	*			cis	-166.2	152	-15.9	29.6	0	0	0	0	110.5
298	S	31.8	Very low	29.4	Very low	121 Å²	121	118.6 Å²	118.6	85%	0.846	78%	0.778	S	S	*	*			trans	70.1	164.5	162.6	86.6	0	0	0	0	118
299	S	32.8	Very low	29.3	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	77%	0.774	S	S	*	*			cis	-153.1	-177	1	86.9	0	0	0	0	113.4
300	S	31.7	Very low	29.3	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	77%	0.772	S	S	*	*			trans	-18.9	165.9	166.7	-66.8	0	0	0	0	121.6
301	G	26.8	Very low	29.3	Very low	70 Å²	70	126 Å²	126	72%	0.722	77%	0.774	S	S	*	*			cis	-175.9	-159.4	11	0	0	0	0	0	113.7
302	S	29.7	Very low	29.2	Very low	131 Å²	131	125 Å²	125	92%	0.916	77%	0.774	S	S	*	*			trans	-130.5	139.7	-163.6	-48.2	0	0	0	0	116.6
303	A	27	Very low	29	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	76%	0.764	S	S	*	*			trans	-166.4	154.4	157	0	0	0	0	0	108.9
304	S	27.3	Very low	29	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	76%	0.759	S	S	*	*			cis	116.5	93.1	2.4	-67.1	0	0	0	0	115.1
305	I	30.1	Very low	28.8	Very low	157 Å²	157	127.1 Å²	127.1	81%	0.805	77%	0.768	S	S	*	*			trans	29.7	142.2	143.3	-40.3	-179.7	0	0	0	120.7
306	L	26.2	Very low	28.5	Very low	152 Å²	152	125.8 Å²	125.8	80%	0.796	76%	0.764	S	S	*	*			trans	116.1	150.5	157.6	-64.7	174.9	0	0	0	114.3
307	T	27.1	Very low	28.2	Very low	119 Å²	119	130.8 Å²	130.8	73%	0.73	77%	0.773	S	S	*	*			cis	-172	167.8	-45.1	21.8	0	0	0	0	108.8
308	A	27.4	Very low	27.8	Very low	97 Å²	97	130.4 Å²	130.4	80%	0.802	77%	0.774	S	S	*	*			trans	75.4	160.9	171.3	0	0	0	0	0	116.3
309	Q	26.1	Very low	27.5	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	77%	0.774	S	S	*	*			cis	-143.2	174.3	5.6	-162.1	155.8	-4.6	0	0	113.9
310	E	28.6	Very low	27.1	Very low	142 Å²	142	134.5 Å²	134.5	66%	0.664	78%	0.777	S	S	*	*			trans	-66.8	-179.2	-174.2	-43.7	141.7	89.6	0	0	115.1
311	Q	26.9	Very low	26.7	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.752	77%	0.772	S	S	*	*			cis	-138.2	163.9	11.8	-64.5	-177.4	-24.6	0	0	110
312	L	25.7	Very low	26.5	Very low	156 Å²	156	135.6 Å²	135.6	82%	0.817	77%	0.772	S	S	*	*				-173.2	177.7	78.5	-107	168.4	0	0	0	113
313	S	26.8	Very low	26.2	Very low	78 Å²	78	135.9 Å²	135.9	55%	0.545	77%	0.769	S	S	.	*			trans	-70.5	162.8	-174.3	46.1	0	0	0	0	115
314	H	29.5	Very low	26.7	Very low	174 Å²	174	136 Å²	136	81%	0.806	76%	0.762	S	S	*	*			cis	-144.8	161.4	37.7	-76.4	-97.2	0	0	0	117.8
315	N	25.8	Very low	26.6	Very low	156 Å²	156	138.3 Å²	138.3	83%	0.834	77%	0.765	S	S	*	*			trans	-58.3	172.7	174.7	-64.8	-37.3	0	0	0	116.9
316	A	26.5	Very low	26.5	Very low	80 Å²	80	135.3 Å²	135.3	66%	0.661	76%	0.764	S	S	*	*			cis	178.4	177.5	-27.5	0	0	0	0	0	110.2
317	R	26.2	Very low	26.6	Very low	239 Å²	239	132.6 Å²	132.6	90%	0.902	76%	0.763	S	S	*	*			trans	76.7	129.5	178.6	-53.5	176.6	176.5	170.6	-1.6	114.1
318	S	23.5	Very low	26.6	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	78%	0.775	S	S	*	*			cis	83.8	102	14.7	-45.3	0	0	0	0	118.8
319	L	25.9	Very low	26.6	Very low	159 Å²	159	136.2 Å²	136.2	83%	0.832	77%	0.771	S	S	*	*				71.1	143.5	126.8	-70	171.5	0	0	0	123.4
320	L	24.4	Very low	26.7	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	77%	0.768	S	S	*	*			trans	86.2	159.9	148.1	-76.1	159.5	0	0	0	121.5
321	S	23.8	Very low	26.8	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	78%	0.778	S	S	*	*			trans	66.2	134.3	-169.2	65.9	0	0	0	0	115.7
322	C	22	Very low	26.8	Very low	107 Å²	107	136.7 Å²	136.7	72%	0.723	78%	0.779	S	S	*	*			cis	95.1	128.5	11.1	-54.5	0	0	0	0	117.5
323	T	23.1	Very low	26.9	Very low	138 Å²	138	135.2 Å²	135.2	85%	0.847	78%	0.782	S	S	*	*			trans	65.8	160	163.9	57.5	0	0	0	0	118.4
324	P	38.5	Very low	27.1	Very low	97 Å²	97	138.9 Å²	138.9	63%	0.63	80%	0.795	S	S	*	*			cis	-131.3	-176.8	-30.8	35.8	-18.3	0	0	0	113.5
325	D	23.7	Very low	27.9	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	79%	0.788	S	S	*	*			trans	63.3	164.6	159.8	-56.1	-38.2	0	0	0	117.5
326	A	28.2	Very low	28	Very low	95 Å²	95	136 Å²	136	79%	0.785	79%	0.786	S	S	*	*			cis	-134.4	174.4	5.1	0	0	0	0	0	113.1
327	A	29.7	Very low	28.2	Very low	94 Å²	94	138.8 Å²	138.8	78%	0.777	79%	0.785	S	S	*	*			trans	-64.7	140.6	-170.7	0	0	0	0	0	115.8	G329	A327-G329 VanDerWaalsContact C-N 3.34Å; A327-G329 PolarHBondContact O-N 3.09Å; A327-G329 VanDerWaalsContact O-N 3.16Å
328	F	26.5	Very low	28.3	Very low	224 Å²	224	135 Å²	135	98%	0.982	78%	0.777	S	S	*	*			trans	-75.7	89.6	149.7	-102.8	-89.7	0	0	0	109
329	G	27.6	Very low	28.4	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	77%	0.771	S	S	*	*			trans	-79.1	118	175.9	0	0	0	0	0	112	A327	A327-G329 VanDerWaalsContact C-N 3.34Å; A327-G329 PolarHBondContact O-N 3.09Å; A327-G329 VanDerWaalsContact O-N 3.16Å
330	S	27.9	Very low	28.6	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	77%	0.767	S	S	*	*			trans	-66.5	144	165.3	165.6	0	0	0	0	110.9
331	R	29.8	Very low	28.8	Very low	235 Å²	235	134.6 Å²	134.6	89%	0.887	76%	0.764	S	S	*	*				-176	149.6	119.4	-100.7	161.7	-170.7	-133.5	-2.5	114.6
332	D	26.8	Very low	28.9	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	77%	0.766	S	S	*	*			trans	-66.9	143.1	160.2	-40.7	-94.8	0	0	0	111
333	S	29.7	Very low	30.1	Very low	126 Å²	126	138 Å²	138	88%	0.881	77%	0.767	S	S	*	*			trans	179.6	135.9	133.7	-77	0	0	0	0	112.2
334	D	29.2	Very low	30.5	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	77%	0.766	S	S	*	*			trans	-62.6	175.2	168	-93.1	-53.9	0	0	0	114.7
335	P	48	Very low	30.1	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	78%	0.775	S	S	*	*			cis	-140.9	-168.4	-19.2	35.4	-14.5	0	0	0	114.9
336	Q	27.2	Very low	31.3	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.794	77%	0.765	S	S	*	*			trans	83.4	136.8	146.5	-83.2	-173.3	-5.9	0	0	123.4
337	H	29.6	Very low	31.5	Very low	139 Å²	139	139.8 Å²	139.8	64%	0.644	77%	0.767	S	S	*	*			trans	81	106.4	144.7	-93.1	-99.2	0	0	0	123.9
338	Q	28.4	Very low	31.5	Very low	160 Å²	160	143 Å²	143	75%	0.748	77%	0.765	S	S	*	*				92.3	118.8	120.3	-114.5	169.9	-5.1	0	0	123.7
339	S	26.6	Very low	32.9	Very low	87 Å²	87	137.1 Å²	137.1	61%	0.608	75%	0.75	S	S	*	*			trans	74.5	109.2	130.2	56.3	0	0	0	0	124.4
340	H	29.5	Very low	33.1	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.736	75%	0.746	S	S	*	*				79.7	123.9	120	-78.9	-88.6	0	0	0	124.3
341	H	28.2	Very low	33.2	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.745	75%	0.752	S	S	*	*			trans	90.7	151.5	139.8	-69.3	-47.1	0	0	0	123.7
342	H	26.7	Very low	33.3	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.806	75%	0.75	S	S	*	*			trans	-79.3	-167	179.1	-52.5	-81.2	0	0	0	111.5
343	P	47.9	Very low	34.6	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	75%	0.75	S	S	*	*			cis	-147.4	169.5	4.7	38.8	-15.9	0	0	0	120.9
344	S	30.3	Very low	34.7	Very low	119 Å²	119	135.9 Å²	135.9	83%	0.832	75%	0.745	S	S	*	*			trans	74.9	155.9	138.8	-69	0	0	0	0	126.1
345	T	30.2	Very low	34.8	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	74%	0.742	S	S	*	*			trans	-80.4	-179.9	-176.3	-3.7	0	0	0	0	114.7
346	P	49.8	Very low	34	Very low	99 Å²	99	136.2 Å²	136.2	64%	0.643	75%	0.75	S	S	*	*				-165.6	-178.2	60.5	47.2	-23.5	0	0	0	123
347	H	31.8	Very low	34.3	Very low	178 Å²	178	134.5 Å²	134.5	82%	0.824	75%	0.751	S	S	*	*			trans	75.3	118.6	148.3	-64.2	-47.7	0	0	0	127.7
348	H	29.5	Very low	34.4	Very low	161 Å²	161	137 Å²	137	75%	0.745	76%	0.763	S	S	*	*				30.3	173.8	121	-117.9	-126.7	0	0	0	123.3	D350	H348-D350 IonicContact CE1-OD1 2.68Å; H348-D350 PolarHBondContact CE1-OD1 2.91Å; H348-D350 IonicContact ND1-OD1 3.14Å
349	P	55.8	Low	34.4	Very low	101 Å²	101	135.1 Å²	135.1	66%	0.656	77%	0.768	S	S	*	*			cis	-133.9	166.5	-1.9	9.6	19	0	0	0	121.1
350	D	33.2	Very low	34.9	Very low	121 Å²	121	140.3 Å²	140.3	65%	0.647	78%	0.783	S	S	*	*				81.4	137.1	130	-63.7	-0.6	0	0	0	130.9	H348	H348-D350 IonicContact CE1-OD1 2.68Å; H348-D350 PolarHBondContact CE1-OD1 2.91Å; H348-D350 IonicContact ND1-OD1 3.14Å
351	N	28.7	Very low	34.9	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	78%	0.782	S	S	*	*			trans	103.7	148.8	138	-79.4	-39.4	0	0	0	125.7
352	L	32.3	Very low	35.1	Very low	162 Å²	162	134 Å²	134	85%	0.848	79%	0.786	S	S	*	*			trans	-149.1	-165	-161.2	-80.6	171.6	0	0	0	110.3
353	P	54.8	Low	35.4	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	78%	0.784	S	S	*	*			cis	-147	-148.5	10.3	46.8	-23.5	0	0	0	116.8
354	A	31.1	Very low	34.9	Very low	94 Å²	94	133 Å²	133	78%	0.777	79%	0.79	S	S	*	*			trans	83.7	142.9	161.3	0	0	0	0	0	120.6
355	S	31	Very low	34.9	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	78%	0.782	S	S	*	*			cis	-169.3	145.3	-15.8	53.1	0	0	0	0	114.4
356	N	32.4	Very low	35.1	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	79%	0.787	S	S	*	*			trans	6.9	163.8	153.6	-50.4	-5.2	0	0	0	122.5
357	T	32.4	Very low	34.2	Very low	134 Å²	134	136.5 Å²	136.5	82%	0.822	79%	0.79	S	S	*	*			cis	-159.6	-176	21.4	-22.4	0	0	0	0	112.9
358	Q	32.2	Very low	34.1	Very low	191 Å²	191	135 Å²	135	89%	0.893	79%	0.787	S	S	*	*			trans	-104.1	167.3	-175.6	-55.2	164.5	-55.8	0	0	115.3
359	S	28.8	Very low	34.1	Very low	122 Å²	122	136.1 Å²	136.1	85%	0.853	79%	0.79	S	S	*	*			trans	-165.8	175.7	143.3	-152.2	0	0	0	0	113.4
360	E	35.5	Very low	33.3	Very low	196 Å²	196	137 Å²	137	92%	0.916	79%	0.793	S	S	*	*			trans	-116.5	172.7	-166.1	-53.8	174.9	116.1	0	0	114.2
361	G	30.1	Very low	33.1	Very low	70 Å²	70	140.8 Å²	140.8	72%	0.722	80%	0.804	S	S	*	*			trans	164.1	88.2	164.8	0	0	0	0	0	120.8
362	S	33.2	Very low	33.7	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	80%	0.804	S	S	*	*			trans	35.2	109.9	144.2	61.1	0	0	0	0	124.3
363	D	31.6	Very low	33.7	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	80%	0.796	S	S	*	*				56.3	128.5	110.9	-157.8	18.2	0	0	0	123.9
364	S	38.6	Very low	33	Very low	124 Å²	124	141.9 Å²	141.9	87%	0.867	80%	0.801	S	S	*	*			trans	-174.3	151.6	148.6	-85.2	0	0	0	0	113.3
365	V	30.5	Very low	33.1	Very low	111 Å²	111	143.1 Å²	143.1	67%	0.673	80%	0.799	S	S	*	*			trans	-119.2	142.6	-163.3	173.1	0	0	0	0	114.4	L367	V365-L367 HydrophobicContact CG1-CB 4.46Å
366	I	34.8	Very low	33.9	Very low	176 Å²	176	143.7 Å²	143.7	90%	0.903	80%	0.8	S	S	*	*			trans	-133.8	146	147.1	-63.7	-173.6	0	0	0	109
367	L	29.5	Very low	33.8	Very low	135 Å²	135	143.1 Å²	143.1	71%	0.707	80%	0.802	S	S	*	*			trans	-131.6	161.7	-165.3	-161.4	76.5	0	0	0	112.6	V365	V365-L367 HydrophobicContact CG1-CB 4.46Å
368	L	29.8	Very low	34.2	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	80%	0.797	S	S	*	*			trans	79.2	153.7	168.1	-49.6	176.2	0	0	0	115.5
369	K	28.9	Very low	34.5	Very low	185 Å²	185	138.3 Å²	138.3	80%	0.804	79%	0.794	S	S	*	*			cis	-146	129.6	14.2	-159.4	160.8	-175.4	167.6	0	113.8
370	V	39.4	Very low	35.6	Very low	121 Å²	121	137 Å²	137	73%	0.733	78%	0.783	S	S	*	*			trans	-81.2	145.6	163.8	172.9	0	0	0	0	109.9	E372	V370-E372 HydrophobicContact CG1-CG 3.99Å
371	K	29.7	Very low	36.2	Very low	199 Å²	199	133.6 Å²	133.6	87%	0.865	77%	0.771	S	S	*	*			trans	-144.4	98.1	153.6	-170.3	-178.4	179.4	-173.8	0	110.4
372	E	40.4	Very low	36.9	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	78%	0.776	S	S	*	*			trans	-77.8	161.5	166.1	-63.1	-179.1	117.6	0	0	111.5	V370	V370-E372 HydrophobicContact CG1-CG 3.99Å
373	S	34.2	Very low	37.6	Very low	100 Å²	100	142 Å²	142	70%	0.699	77%	0.774	S	S	*	*			trans	-159.7	95.7	151.3	57.8	0	0	0	0	112.1
374	Q	38.3	Very low	38.6	Very low	182 Å²	182	141.9 Å²	141.9	85%	0.85	77%	0.768	S	S	*	*			trans	63.5	144.1	144	-60.1	178.2	6.2	0	0	118.1
375	T	34.9	Very low	39.3	Very low	120 Å²	120	138.3 Å²	138.3	74%	0.736	75%	0.746	S	S	*	*			cis	-154	167.5	-2	5.5	0	0	0	0	108.1
376	P	46.9	Very low	40.7	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	74%	0.739	S	S	*	*			trans	-80.4	149.9	-166.2	32.4	-35.6	0	0	0	114.2
377	V	30.9	Very low	42.1	Very low	140 Å²	140	134.7 Å²	134.7	85%	0.848	72%	0.721	S	S	*	*			trans	-123.3	130.8	162	180	0	0	0	0	108.8
378	S	39.8	Very low	43.6	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	71%	0.713	S	S	*	*			trans	-63.9	139.1	177.6	53.7	0	0	0	0	113.2	P380	S378-P380 WeakPolarHBondContact O-CD 3.26Å
379	S	39.8	Very low	45.4	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	70%	0.699	S	S	*	*			trans	-95.7	110.7	167.6	54.3	0	0	0	0	111.8
380	P	51.7	Low	47.4	Very low	96 Å²	96	129.3 Å²	129.3	62%	0.623	69%	0.686	S	S	*	*			trans	-97.9	-165.3	149.7	36.3	-32.6	0	0	0	111.5	S378 F382	S378-P380 WeakPolarHBondContact O-CD 3.26Å; P380-F382 PolarHBondContact O-N 3.06Å
381	D	46.7	Very low	48.9	Very low	123 Å²	123	129.8 Å²	129.8	66%	0.658	68%	0.68	S	S	*	*	S	Bend	trans	88.6	-41.7	170.2	-58.4	0.2	0	0	0	118.4	F383 Q384	D381-F383 VanDerWaalsContact C-N 3.27Å; D381-F383 PolarHBondContact O-N 3.35Å; D381-F383 VanDerWaalsContact O-N 3.16Å; D381-Q384 PolarHBondContact O-N 3.15Å; D381-Q384 VanDerWaalsContact O-N 3.12Å
382	F	46.2	Very low	50.4	Low	186 Å²	186	123.1 Å²	123.1	82%	0.816	65%	0.654	S	S	*	*	H	α-helix	trans	-61.1	-33.5	-174	-161.1	-92	0	0	0	113.8	P380 Q384	P380-F382 PolarHBondContact O-N 3.06Å; F382-Q384 VanDerWaalsContact C-N 3.34Å; F382-Q384 PolarHBondContact O-N 3.26Å
383	F	47.2	Very low	51.8	Low	179 Å²	179	118.3 Å²	118.3	79%	0.785	64%	0.636	S	S	*	*	H	α-helix	trans	-77.4	-16.6	-178.4	-144.3	-95.1	0	0	0	114	D381	D381-F383 VanDerWaalsContact C-N 3.27Å; D381-F383 PolarHBondContact O-N 3.35Å; D381-F383 VanDerWaalsContact O-N 3.16Å
384	Q	52.6	Low	54	Low	140 Å²	140	116.8 Å²	116.8	65%	0.654	63%	0.625	S	S	*	*	H	α-helix	trans	-84.9	-27.6	-176	-163.1	162.5	-2.8	0	0	112	D381 F382 L387 W388	D381-Q384 PolarHBondContact O-N 3.15Å; D381-Q384 VanDerWaalsContact O-N 3.12Å; F382-Q384 VanDerWaalsContact C-N 3.34Å; F382-Q384 PolarHBondContact O-N 3.26Å; Q384-L387 PolarHBondContact O-N 3.04Å; Q384-W388 WeakPolarHBondContact O-CB 3.48Å; Q384-W388 PolarHBondContact O-N 3.01Å
385	A	53.7	Low	55.2	Low	49 Å²	49	112.1 Å²	112.1	41%	0.405	61%	0.609	S	S	.	*	H	α-helix	trans	-63.7	-42.2	177	0	0	0	0	0	112.9	L387 W388 I389	A385-L387 PolarHBondContact O-N 3.27Å; A385-W388 PolarHBondContact O-N 3.05Å; A385-I389 WeakPolarHBondContact O-CB 3.27Å; A385-I389 WeakPolarHBondContact O-CD1 3.19Å; A385-I389 VanDerWaalsContact O-CG1 3.23Å; A385-I389 WeakPolarHBondContact O-CG1 3.34Å; A385-I389 PolarHBondContact O-N 2.95Å
386	E	60.3	Low	56.5	Low	109 Å²	109	113.3 Å²	113.3	51%	0.509	60%	0.601	S	S	.	*	H	α-helix	trans	-65.3	-39.3	178.3	-92.8	-156.3	-142.1	0	0	113.1	I389 K390	E386-I389 PolarHBondContact O-N 2.73Å; E386-K390 WeakPolarHBondContact O-CB 3.5Å; E386-K390 WeakPolarHBondContact O-CD 3.4Å; E386-K390 VanDerWaalsContact O-CG 3.27Å; E386-K390 WeakPolarHBondContact O-CG 3.31Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE2-CE 3.48Å; E386-K390 IonicContact OE2-NZ 3.13Å; E386-K390 PolarHBondContact OE2-NZ 3.37Å
387	L	62.9	Low	57.6	Low	103 Å²	103	111.1 Å²	111.1	54%	0.539	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-44	176.9	-67.6	172.6	0	0	0	110.7	Q384 A385 I389 K390 E391	Q384-L387 PolarHBondContact O-N 3.04Å; A385-L387 PolarHBondContact O-N 3.27Å; L387-I389 PolarHBondContact O-N 2.88Å; L387-K390 PolarHBondContact O-N 3.49Å; L387-E391 WeakPolarHBondContact O-CB 3.49Å; L387-E391 PolarHBondContact O-N 3.43Å
388	W	62.6	Low	59.3	Low	138 Å²	138	107.5 Å²	107.5	52%	0.523	56%	0.563	S	S	.	*	H	α-helix	trans	-63.6	-38.4	175.7	-178.1	69.3	0	0	0	113.1	Q384 A385 E391 L392	Q384-W388 WeakPolarHBondContact O-CB 3.48Å; Q384-W388 PolarHBondContact O-N 3.01Å; A385-W388 PolarHBondContact O-N 3.05Å; W388-E391 PolarHBondContact O-N 2.68Å; W388-L392 HydrophobicContact CD2-CD1 3.9Å; W388-L392 HydrophobicContact CE3-CD1 4.02Å; W388-L392 HydrophobicContact CH2-CD1 3.6Å; W388-L392 HydrophobicContact CZ2-CD1 3.45Å; W388-L392 VanDerWaalsContact CZ2-CD1 3.45Å; W388-L392 HydrophobicContact CZ3-CD1 3.88Å; W388-L392 WeakPolarHBondContact O-CB 3.39Å; W388-L392 PolarHBondContact O-N 3.41Å
389	I	67.4	Low	60.9	Low	93 Å²	93	110 Å²	110	48%	0.477	56%	0.557	S	S	.	*	H	α-helix	trans	-65.5	-44.9	173.9	-71.8	164.3	0	0	0	110.6	A385 E386 L387 E391 L392 T393	A385-I389 WeakPolarHBondContact O-CB 3.27Å; A385-I389 WeakPolarHBondContact O-CD1 3.19Å; A385-I389 VanDerWaalsContact O-CG1 3.23Å; A385-I389 WeakPolarHBondContact O-CG1 3.34Å; A385-I389 PolarHBondContact O-N 2.95Å; E386-I389 PolarHBondContact O-N 2.73Å; L387-I389 PolarHBondContact O-N 2.88Å; I389-E391 VanDerWaalsContact C-N 3.33Å; I389-E391 PolarHBondContact O-N 3.44Å; I389-L392 PolarHBondContact O-N 3.02Å; I389-T393 WeakPolarHBondContact O-CB 3.5Å; I389-T393 PolarHBondContact O-N 2.81Å; I389-T393 PolarHBondContact O-OG1 3.39Å; I389-T393 VanDerWaalsContact O-OG1 3.11Å
390	K	69.2	Low	62.1	Low	121 Å²	121	106.4 Å²	106.4	53%	0.526	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-38	176.9	-73.1	163.5	-172.3	163.6	0	111.9	E386 L387 S394	E386-K390 WeakPolarHBondContact O-CB 3.5Å; E386-K390 WeakPolarHBondContact O-CD 3.4Å; E386-K390 VanDerWaalsContact O-CG 3.27Å; E386-K390 WeakPolarHBondContact O-CG 3.31Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE2-CE 3.48Å; E386-K390 IonicContact OE2-NZ 3.13Å; E386-K390 PolarHBondContact OE2-NZ 3.37Å; L387-K390 PolarHBondContact O-N 3.49Å; K390-S394 VanDerWaalsContact O-CB 3.23Å; K390-S394 WeakPolarHBondContact O-CB 3.31Å; K390-S394 PolarHBondContact O-N 3.31Å
391	E	72	Confident	63.2	Low	130 Å²	130	108.5 Å²	108.5	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-46.6	173.3	-174.3	174	-153.2	0	0	111.7	L387 W388 I389 S394 V395	L387-E391 WeakPolarHBondContact O-CB 3.49Å; L387-E391 PolarHBondContact O-N 3.43Å; W388-E391 PolarHBondContact O-N 2.68Å; I389-E391 VanDerWaalsContact C-N 3.33Å; I389-E391 PolarHBondContact O-N 3.44Å; E391-S394 WeakPolarHBondContact O-CB 3.25Å; E391-S394 PolarHBondContact O-N 2.84Å; E391-V395 WeakPolarHBondContact O-CG2 3.42Å; E391-V395 PolarHBondContact O-N 3.39Å
392	L	61.7	Low	64.6	Low	60 Å²	60	106.5 Å²	106.5	31%	0.314	52%	0.517	S	S	.	.	H	α-helix	trans	-58.4	-50.6	174.8	-99.6	168.7	0	0	0	112.1	W388 I389 S394 V395 Y396	W388-L392 HydrophobicContact CD2-CD1 3.9Å; W388-L392 HydrophobicContact CE3-CD1 4.02Å; W388-L392 HydrophobicContact CH2-CD1 3.6Å; W388-L392 HydrophobicContact CZ2-CD1 3.45Å; W388-L392 VanDerWaalsContact CZ2-CD1 3.45Å; W388-L392 HydrophobicContact CZ3-CD1 3.88Å; W388-L392 WeakPolarHBondContact O-CB 3.39Å; W388-L392 PolarHBondContact O-N 3.41Å; I389-L392 PolarHBondContact O-N 3.02Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 3.48Å; L392-V395 PolarHBondContact O-N 3.3Å; L392-Y396 HydrophobicContact CD2-CD2 4.07Å; L392-Y396 HydrophobicContact CD2-CE2 3.81Å; L392-Y396 WeakPolarHBondContact O-CD2 3.38Å; L392-Y396 PolarHBondContact O-N 3.21Å
393	T	69.9	Low	65.5	Low	72 Å²	72	105 Å²	105	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-58.8	-45.9	176.6	-60.7	0	0	0	0	110.5	I389 V395 Y396 D397	I389-T393 WeakPolarHBondContact O-CB 3.5Å; I389-T393 PolarHBondContact O-N 2.81Å; I389-T393 PolarHBondContact O-OG1 3.39Å; I389-T393 VanDerWaalsContact O-OG1 3.11Å; T393-V395 VanDerWaalsContact C-N 3.33Å; T393-V395 PolarHBondContact O-N 3.37Å; T393-Y396 PolarHBondContact O-N 3.18Å; T393-D397 WeakPolarHBondContact O-CB 3.38Å; T393-D397 PolarHBondContact O-N 2.98Å
394	S	79.7	Confident	66.9	Low	67 Å²	67	102 Å²	102	47%	0.469	50%	0.497	S	S	.	.	H	α-helix	trans	-57.8	-41.4	175.5	-174.4	0	0	0	0	113.1	K390 E391 L392 S398	K390-S394 VanDerWaalsContact O-CB 3.23Å; K390-S394 WeakPolarHBondContact O-CB 3.31Å; K390-S394 PolarHBondContact O-N 3.31Å; E391-S394 WeakPolarHBondContact O-CB 3.25Å; E391-S394 PolarHBondContact O-N 2.84Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 3.48Å; S394-S398 WeakPolarHBondContact O-CB 3.47Å; S394-S398 PolarHBondContact O-N 3.28Å
395	V	63.5	Low	68.7	Low	84 Å²	84	102.1 Å²	102.1	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-68.5	-42.2	176.8	168.7	0	0	0	0	112	E391 L392 T393 S398 R399	E391-V395 WeakPolarHBondContact O-CG2 3.42Å; E391-V395 PolarHBondContact O-N 3.39Å; L392-V395 PolarHBondContact O-N 3.3Å; T393-V395 VanDerWaalsContact C-N 3.33Å; T393-V395 PolarHBondContact O-N 3.37Å; V395-S398 PolarHBondContact O-N 3.41Å; V395-R399 WeakPolarHBondContact O-CB 3.36Å; V395-R399 PolarHBondContact O-N 2.83Å
396	Y	61.9	Low	70	Confident	145 Å²	145	104.3 Å²	104.3	57%	0.569	49%	0.494	S	S	*	.	H	α-helix	trans	-66.2	-45.3	175.7	-91.3	-88.7	0	0	0	111.7	L392 T393 S398 R399 A400	L392-Y396 HydrophobicContact CD2-CD2 4.07Å; L392-Y396 HydrophobicContact CD2-CE2 3.81Å; L392-Y396 WeakPolarHBondContact O-CD2 3.38Å; L392-Y396 PolarHBondContact O-N 3.21Å; T393-Y396 PolarHBondContact O-N 3.18Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 3.07Å; Y396-R399 CarbonylContact O-C 3.58Å; Y396-R399 WeakPolarHBondContact O-CB 3.37Å; Y396-R399 PolarHBondContact O-N 3.1Å; Y396-A400 WeakPolarHBondContact O-CB 3.47Å; Y396-A400 PolarHBondContact O-N 3.31Å
397	D	71.1	Confident	71	Confident	76 Å²	76	103.3 Å²	103.3	41%	0.406	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-38.1	175.8	-65.5	-15.4	0	0	0	111.6	T393 R399 A400 R401	T393-D397 WeakPolarHBondContact O-CB 3.38Å; T393-D397 PolarHBondContact O-N 2.98Å; D397-R399 VanDerWaalsContact C-N 3.34Å; D397-A400 PolarHBondContact O-N 2.85Å; D397-R401 WeakPolarHBondContact O-CB 3.41Å; D397-R401 WeakPolarHBondContact O-CG 3.37Å; D397-R401 PolarHBondContact O-N 3.42Å
398	S	66.4	Low	72.1	Confident	63 Å²	63	103.4 Å²	103.4	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174.4	-169.9	0	0	0	0	110.7	S394 V395 Y396 A400 R401 E402	S394-S398 WeakPolarHBondContact O-CB 3.47Å; S394-S398 PolarHBondContact O-N 3.28Å; V395-S398 PolarHBondContact O-N 3.41Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 3.07Å; S398-A400 VanDerWaalsContact C-N 3.33Å; S398-A400 PolarHBondContact O-N 3.28Å; S398-R401 PolarHBondContact O-N 3.27Å; S398-E402 WeakPolarHBondContact O-CB 3.32Å; S398-E402 PolarHBondContact O-N 3.29Å
399	R	72.2	Confident	73.4	Confident	155 Å²	155	101.3 Å²	101.3	59%	0.585	49%	0.485	S	S	*	.	H	α-helix	trans	-67.5	-30.9	176.1	-158.3	177.8	-146.9	167	7.9	113.1	V395 Y396 D397 R403	V395-R399 WeakPolarHBondContact O-CB 3.36Å; V395-R399 PolarHBondContact O-N 2.83Å; Y396-R399 CarbonylContact O-C 3.58Å; Y396-R399 WeakPolarHBondContact O-CB 3.37Å; Y396-R399 PolarHBondContact O-N 3.1Å; D397-R399 VanDerWaalsContact C-N 3.34Å; R399-R403 WeakPolarHBondContact O-CB 3.34Å; R399-R403 WeakPolarHBondContact O-CD 3.47Å; R399-R403 VanDerWaalsContact O-CG 3.27Å; R399-R403 WeakPolarHBondContact O-CG 3.47Å; R399-R403 PolarHBondContact O-N 3.36Å; R399-R403 VanDerWaalsContact O-N 3.13Å
400	A	64.4	Low	73.8	Confident	46 Å²	46	104.1 Å²	104.1	38%	0.38	50%	0.496	S	S	.	.	H	α-helix	trans	-71.2	-46.7	173.3	0	0	0	0	0	111.5	Y396 D397 S398 E402 R403 L404	Y396-A400 WeakPolarHBondContact O-CB 3.47Å; Y396-A400 PolarHBondContact O-N 3.31Å; D397-A400 PolarHBondContact O-N 2.85Å; S398-A400 VanDerWaalsContact C-N 3.33Å; S398-A400 PolarHBondContact O-N 3.28Å; A400-E402 PolarHBondContact O-N 3.23Å; A400-R403 PolarHBondContact O-N 2.9Å; A400-L404 WeakPolarHBondContact O-CG 3.25Å; A400-L404 PolarHBondContact O-N 3.05Å
401	R	75.9	Confident	74.4	Confident	140 Å²	140	103.6 Å²	103.6	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-58.1	-45	173.9	-74.1	-178.2	-67.4	-101.7	0.2	111.9	D397 S398 L404 R405	D397-R401 WeakPolarHBondContact O-CB 3.41Å; D397-R401 WeakPolarHBondContact O-CG 3.37Å; D397-R401 PolarHBondContact O-N 3.42Å; S398-R401 PolarHBondContact O-N 3.27Å; R401-L404 PolarHBondContact O-N 3.11Å; R401-R405 WeakPolarHBondContact O-CB 3.47Å; R401-R405 PolarHBondContact O-N 3.07Å
402	E	75.2	Confident	75.3	Confident	80 Å²	80	100 Å²	100	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-39.1	178	-178.6	55.9	-155.9	0	0	112.3	S398 A400 R405 Q406	S398-E402 WeakPolarHBondContact O-CB 3.32Å; S398-E402 PolarHBondContact O-N 3.29Å; A400-E402 PolarHBondContact O-N 3.23Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.46Å; E402-Q406 VanDerWaalsContact O-CG 3.29Å; E402-Q406 WeakPolarHBondContact O-CG 3.36Å; E402-Q406 PolarHBondContact O-N 3.1Å; E402-Q406 PolarHBondContact OE1-NE2 3.01Å
403	R	66.4	Low	76.6	Confident	156 Å²	156	101.7 Å²	101.7	59%	0.589	50%	0.495	S	S	*	.	H	α-helix	trans	-64.9	-42.9	172.5	-77.9	169.1	169.7	175	-6.8	112.7	R399 A400 R405 Q406 I407	R399-R403 WeakPolarHBondContact O-CB 3.34Å; R399-R403 WeakPolarHBondContact O-CD 3.47Å; R399-R403 VanDerWaalsContact O-CG 3.27Å; R399-R403 WeakPolarHBondContact O-CG 3.47Å; R399-R403 PolarHBondContact O-N 3.36Å; R399-R403 VanDerWaalsContact O-N 3.13Å; A400-R403 PolarHBondContact O-N 2.9Å; R403-R405 VanDerWaalsContact C-N 3.32Å; R403-Q406 PolarHBondContact O-N 3.1Å; R403-I407 VanDerWaalsContact O-CG1 3.29Å; R403-I407 WeakPolarHBondContact O-CG1 3.42Å; R403-I407 PolarHBondContact O-N 3.48Å
404	L	75.2	Confident	77.2	Confident	114 Å²	114	100.9 Å²	100.9	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-62.9	-40.6	175.7	-72.9	170.3	0	0	0	111.3	A400 R401 I407 E408	A400-L404 WeakPolarHBondContact O-CG 3.25Å; A400-L404 PolarHBondContact O-N 3.05Å; R401-L404 PolarHBondContact O-N 3.11Å; L404-I407 PolarHBondContact O-N 2.83Å; L404-E408 PolarHBondContact O-N 3.2Å
405	R	90.5	Very high	77.7	Confident	143 Å²	143	102.2 Å²	102.2	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-49.5	173.2	-179.3	-174.4	170.2	177.8	-2.8	111.7	R401 E402 R403 I407 E408 E409	R401-R405 WeakPolarHBondContact O-CB 3.47Å; R401-R405 PolarHBondContact O-N 3.07Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.46Å; R403-R405 VanDerWaalsContact C-N 3.32Å; R405-I407 VanDerWaalsContact C-N 3.3Å; R405-I407 PolarHBondContact O-N 3.25Å; R405-E408 PolarHBondContact O-N 3.02Å; R405-E408 VanDerWaalsContact O-N 3.09Å; R405-E409 HydrophobicContact CG-CG 4.39Å; R405-E409 IonicContact CZ-OE1 3.98Å; R405-E409 IonicContact NE-OE1 3.43Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 2.7Å; R405-E409 PolarHBondContact NH2-OE1 2.87Å; R405-E409 WeakPolarHBondContact O-CG 3.42Å; R405-E409 PolarHBondContact O-N 3.42Å
406	Q	81.4	Confident	79	Confident	95 Å²	95	104.1 Å²	104.1	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-35.8	178.7	-71.3	170	11.5	0	0	112.4	E402 R403 Q410	E402-Q406 VanDerWaalsContact O-CG 3.29Å; E402-Q406 WeakPolarHBondContact O-CG 3.36Å; E402-Q406 PolarHBondContact O-N 3.1Å; E402-Q406 PolarHBondContact OE1-NE2 3.01Å; R403-Q406 PolarHBondContact O-N 3.1Å; Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.36Å
407	I	80.8	Confident	80.4	Confident	89 Å²	89	101 Å²	101	46%	0.456	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-44.2	171.8	-72.7	164	0	0	0	110.7	R403 L404 R405 Q410 K411	R403-I407 VanDerWaalsContact O-CG1 3.29Å; R403-I407 WeakPolarHBondContact O-CG1 3.42Å; R403-I407 PolarHBondContact O-N 3.48Å; L404-I407 PolarHBondContact O-N 2.83Å; R405-I407 VanDerWaalsContact C-N 3.3Å; R405-I407 PolarHBondContact O-N 3.25Å; I407-Q410 PolarHBondContact O-N 2.9Å; I407-K411 WeakPolarHBondContact O-CG 3.26Å; I407-K411 PolarHBondContact O-N 3.06Å
408	E	86.5	Confident	81	Confident	105 Å²	105	102.6 Å²	102.6	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-71.3	-38.6	-179.5	-152.3	60.1	-142.2	0	0	112.6	L404 R405 Q410 K411 A412	L404-E408 PolarHBondContact O-N 3.2Å; R405-E408 PolarHBondContact O-N 3.02Å; R405-E408 VanDerWaalsContact O-N 3.09Å; E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 3.46Å; E408-K411 PolarHBondContact O-N 3.28Å; E408-K411 IonicContact OE1-NZ 3.73Å; E408-K411 IonicContact OE2-NZ 3.95Å; E408-K411 PolarHBondContact OE2-NZ 3.04Å; E408-A412 WeakPolarHBondContact O-CB 3.41Å; E408-A412 PolarHBondContact O-N 3.18Å
409	E	89.8	Confident	82.1	Confident	94 Å²	94	103.2 Å²	103.2	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-38.7	172.4	-73.4	177	170.7	0	0	111.6	R405 A412 L413	R405-E409 HydrophobicContact CG-CG 4.39Å; R405-E409 IonicContact CZ-OE1 3.98Å; R405-E409 IonicContact NE-OE1 3.43Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 2.7Å; R405-E409 PolarHBondContact NH2-OE1 2.87Å; R405-E409 WeakPolarHBondContact O-CG 3.42Å; R405-E409 PolarHBondContact O-N 3.42Å; E409-A412 PolarHBondContact O-N 2.81Å; E409-L413 WeakPolarHBondContact O-CB 3.43Å; E409-L413 PolarHBondContact O-N 2.85Å
410	Q	76.9	Confident	83	Confident	151 Å²	151	100 Å²	100	71%	0.706	49%	0.488	S	S	*	.	H	α-helix	trans	-70.3	-36.2	173.3	-75.4	-163.1	-8	0	0	113.5	Q406 I407 E408 A414	Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.36Å; I407-Q410 PolarHBondContact O-N 2.9Å; E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 3.46Å; Q410-A414 WeakPolarHBondContact O-CB 3.39Å; Q410-A414 PolarHBondContact O-N 3.47Å
411	K	80.1	Confident	83.8	Confident	110 Å²	110	104.5 Å²	104.5	48%	0.478	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-44.9	171	-71.2	175.4	-162.4	160.3	0	111.5	I407 E408 L413 A414 L415	I407-K411 WeakPolarHBondContact O-CG 3.26Å; I407-K411 PolarHBondContact O-N 3.06Å; E408-K411 PolarHBondContact O-N 3.28Å; E408-K411 IonicContact OE1-NZ 3.73Å; E408-K411 IonicContact OE2-NZ 3.95Å; E408-K411 PolarHBondContact OE2-NZ 3.04Å; K411-L413 PolarHBondContact O-N 2.93Å; K411-A414 PolarHBondContact O-N 2.79Å; K411-L415 WeakPolarHBondContact O-CB 3.47Å; K411-L415 PolarHBondContact O-N 3.04Å
412	A	90.8	Very high	84.2	Confident	55 Å²	55	101.8 Å²	101.8	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-44.3	178.9	0	0	0	0	0	111.2	E408 E409 L415 Q416	E408-A412 WeakPolarHBondContact O-CB 3.41Å; E408-A412 PolarHBondContact O-N 3.18Å; E409-A412 PolarHBondContact O-N 2.81Å; A412-L415 PolarHBondContact O-N 3.07Å; A412-Q416 WeakPolarHBondContact O-CB 3.15Å; A412-Q416 PolarHBondContact O-N 3.23Å
413	L	89.4	Confident	84.6	Confident	95 Å²	95	103.3 Å²	103.3	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.4	-176.5	64.3	0	0	0	112.3	E409 K411 Q416 L417	E409-L413 WeakPolarHBondContact O-CB 3.43Å; E409-L413 PolarHBondContact O-N 2.85Å; K411-L413 PolarHBondContact O-N 2.93Å; L413-Q416 PolarHBondContact O-N 3.1Å; L413-L417 HydrophobicContact CD1-CD1 4.41Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 WeakPolarHBondContact O-CB 3.36Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.45Å; L413-L417 PolarHBondContact O-N 3.2Å
414	A	82.2	Confident	85.4	Confident	56 Å²	56	100.8 Å²	100.8	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-40.4	176.6	0	0	0	0	0	112.2	Q410 K411 L417 Q418	Q410-A414 WeakPolarHBondContact O-CB 3.39Å; Q410-A414 PolarHBondContact O-N 3.47Å; K411-A414 PolarHBondContact O-N 2.79Å; A414-L417 PolarHBondContact O-N 3.26Å; A414-Q418 WeakPolarHBondContact O-CB 3.44Å; A414-Q418 PolarHBondContact O-N 2.99Å
415	L	90.2	Very high	85.5	Confident	94 Å²	94	101.6 Å²	101.6	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-68.4	-40.5	175.4	-177.5	62.3	0	0	0	111.7	K411 A412 Q418 N419	K411-L415 WeakPolarHBondContact O-CB 3.47Å; K411-L415 PolarHBondContact O-N 3.04Å; A412-L415 PolarHBondContact O-N 3.07Å; L415-Q418 WeakPolarHBondContact O-CB 3.38Å; L415-Q418 PolarHBondContact O-N 3.39Å; L415-Q418 VanDerWaalsContact O-N 3.12Å; L415-N419 WeakPolarHBondContact O-CB 3.2Å; L415-N419 VanDerWaalsContact O-CG 3.29Å; L415-N419 PolarHBondContact O-N 2.69Å
416	Q	92.1	Very high	84.7	Confident	124 Å²	124	100.4 Å²	100.4	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-60.6	-46.7	173.4	-176.9	179.3	-5.1	0	0	111.1	A412 L413 Q418 N419 Q420	A412-Q416 WeakPolarHBondContact O-CB 3.15Å; A412-Q416 PolarHBondContact O-N 3.23Å; L413-Q416 PolarHBondContact O-N 3.1Å; Q416-Q418 PolarHBondContact O-N 3.04Å; Q416-N419 PolarHBondContact O-N 3.46Å; Q416-Q420 WeakPolarHBondContact O-CB 3.26Å; Q416-Q420 PolarHBondContact O-N 3.33Å
417	L	89.9	Confident	84.2	Confident	81 Å²	81	101.3 Å²	101.3	42%	0.424	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-17.1	175.3	-69.8	170.9	0	0	0	113.3	L413 A414 R421	L413-L417 HydrophobicContact CD1-CD1 4.41Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 WeakPolarHBondContact O-CB 3.36Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.45Å; L413-L417 PolarHBondContact O-N 3.2Å; A414-L417 PolarHBondContact O-N 3.26Å; L417-R421 PolarHBondContact O-NE 3.49Å; L417-R421 PolarHBondContact O-NH2 2.97Å; L417-R421 VanDerWaalsContact O-NH2 3.11Å
418	Q	84.6	Confident	83.9	Confident	109 Å²	109	99.9 Å²	99.9	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-82.2	-48	170.5	-179.2	175.3	-10.5	0	0	110.7	A414 L415 Q416 Q420 R421 L422	A414-Q418 WeakPolarHBondContact O-CB 3.44Å; A414-Q418 PolarHBondContact O-N 2.99Å; L415-Q418 WeakPolarHBondContact O-CB 3.38Å; L415-Q418 PolarHBondContact O-N 3.39Å; L415-Q418 VanDerWaalsContact O-N 3.12Å; Q416-Q418 PolarHBondContact O-N 3.04Å; Q418-Q420 PolarHBondContact O-N 2.81Å; Q418-R421 PolarHBondContact O-N 3.29Å; Q418-L422 HydrophobicContact CG-CD1 4.44Å; Q418-L422 PolarHBondContact O-N 2.98Å
419	N	90.5	Very high	83.3	Confident	76 Å²	76	98.7 Å²	98.7	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-39.6	179.4	-68	-7.3	0	0	0	112	L415 Q416 R421 L422 Q423	L415-N419 WeakPolarHBondContact O-CB 3.2Å; L415-N419 VanDerWaalsContact O-CG 3.29Å; L415-N419 PolarHBondContact O-N 2.69Å; Q416-N419 PolarHBondContact O-N 3.46Å; N419-R421 VanDerWaalsContact C-N 3.35Å; N419-R421 PolarHBondContact O-N 3.47Å; N419-L422 PolarHBondContact O-N 2.97Å; N419-Q423 WeakPolarHBondContact O-CG 3.19Å; N419-Q423 PolarHBondContact O-N 3.34Å
420	Q	90.2	Very high	82.1	Confident	87 Å²	87	99.3 Å²	99.3	41%	0.407	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-45.7	173.6	-179.3	-178	-19.2	0	0	111.3	Q416 Q418 L422 Q423 E424	Q416-Q420 WeakPolarHBondContact O-CB 3.26Å; Q416-Q420 PolarHBondContact O-N 3.33Å; Q418-Q420 PolarHBondContact O-N 2.81Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.05Å; Q420-Q423 PolarHBondContact O-N 2.72Å; Q420-E424 HydrophobicContact CG-CG 4.43Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.29Å; Q420-E424 PolarHBondContact NE2-OE1 2.76Å; Q420-E424 WeakPolarHBondContact O-CB 3.23Å; Q420-E424 VanDerWaalsContact O-CG 3.31Å; Q420-E424 WeakPolarHBondContact O-CG 3.38Å; Q420-E424 PolarHBondContact O-N 3.36Å
421	R	82.1	Confident	81.4	Confident	141 Å²	141	97.2 Å²	97.2	53%	0.532	50%	0.499	S	S	.	.	H	α-helix	trans	-68	-31.2	178.3	-81.7	178.5	-71.2	167.8	0	113.2	L417 Q418 N419 Q425	L417-R421 PolarHBondContact O-NE 3.49Å; L417-R421 PolarHBondContact O-NH2 2.97Å; L417-R421 VanDerWaalsContact O-NH2 3.11Å; Q418-R421 PolarHBondContact O-N 3.29Å; N419-R421 VanDerWaalsContact C-N 3.35Å; N419-R421 PolarHBondContact O-N 3.47Å; R421-Q425 VanDerWaalsContact O-CB 3.32Å; R421-Q425 WeakPolarHBondContact O-CB 3.31Å; R421-Q425 PolarHBondContact O-N 3.09Å
422	L	83.1	Confident	80.6	Confident	82 Å²	82	94.8 Å²	94.8	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-44.8	170.3	-72	169.2	0	0	0	110.9	Q418 N419 Q420 Q425 E426	Q418-L422 HydrophobicContact CG-CD1 4.44Å; Q418-L422 PolarHBondContact O-N 2.98Å; N419-L422 PolarHBondContact O-N 2.97Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.05Å; L422-Q425 WeakPolarHBondContact O-CB 3.49Å; L422-Q425 PolarHBondContact O-N 2.97Å; L422-E426 WeakPolarHBondContact O-CG 3.46Å; L422-E426 PolarHBondContact O-N 3.05Å
423	Q	84.2	Confident	79.2	Confident	113 Å²	113	96.5 Å²	96.5	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-41.9	175.7	-72.6	-179.6	-35.1	0	0	112.3	N419 Q420 Q425 E426 H427	N419-Q423 WeakPolarHBondContact O-CG 3.19Å; N419-Q423 PolarHBondContact O-N 3.34Å; Q420-Q423 PolarHBondContact O-N 2.72Å; Q423-Q425 VanDerWaalsContact C-N 3.28Å; Q423-Q425 PolarHBondContact O-N 3.48Å; Q423-E426 PolarHBondContact O-N 3.34Å; Q423-H427 PolarHBondContact O-N 2.67Å; Q423-H427 PolarHBondContact O-ND1 3.31Å
424	E	82.3	Confident	77.6	Confident	103 Å²	103	96.8 Å²	96.8	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-38.6	173.4	-73.1	165.5	178	0	0	111.3	Q420 A428	Q420-E424 HydrophobicContact CG-CG 4.43Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.29Å; Q420-E424 PolarHBondContact NE2-OE1 2.76Å; Q420-E424 WeakPolarHBondContact O-CB 3.23Å; Q420-E424 VanDerWaalsContact O-CG 3.31Å; Q420-E424 WeakPolarHBondContact O-CG 3.38Å; Q420-E424 PolarHBondContact O-N 3.36Å; E424-A428 WeakPolarHBondContact O-CB 3.35Å; E424-A428 PolarHBondContact O-N 3.26Å
425	Q	78	Confident	76.3	Confident	130 Å²	130	100.8 Å²	100.8	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-70	-39.5	174.9	-174.1	175	-2.3	0	0	112.5	R421 L422 Q423 A428 V429	R421-Q425 VanDerWaalsContact O-CB 3.32Å; R421-Q425 WeakPolarHBondContact O-CB 3.31Å; R421-Q425 PolarHBondContact O-N 3.09Å; L422-Q425 WeakPolarHBondContact O-CB 3.49Å; L422-Q425 PolarHBondContact O-N 2.97Å; Q423-Q425 VanDerWaalsContact C-N 3.28Å; Q423-Q425 PolarHBondContact O-N 3.48Å; Q425-A428 PolarHBondContact O-N 3.15Å; Q425-V429 WeakPolarHBondContact O-CG2 3.46Å; Q425-V429 PolarHBondContact O-N 3Å
426	E	74.4	Confident	74.4	Confident	119 Å²	119	103.2 Å²	103.2	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-64.8	-44	174.8	-74.2	172.5	161.6	0	0	111.6	L422 Q423 V429 L430	L422-E426 WeakPolarHBondContact O-CG 3.46Å; L422-E426 PolarHBondContact O-N 3.05Å; Q423-E426 PolarHBondContact O-N 3.34Å; E426-V429 PolarHBondContact O-N 2.95Å; E426-L430 WeakPolarHBondContact O-CG 3.45Å; E426-L430 PolarHBondContact O-N 3.29Å
427	H	70.8	Confident	72.3	Confident	113 Å²	113	103.9 Å²	103.9	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-43.5	175.4	-73.6	73	0	0	0	111.3	Q423 V429 L430 D431	Q423-H427 PolarHBondContact O-N 2.67Å; Q423-H427 PolarHBondContact O-ND1 3.31Å; H427-V429 PolarHBondContact O-N 3.3Å; H427-L430 PolarHBondContact O-N 2.97Å; H427-L430 VanDerWaalsContact O-N 3.09Å; H427-D431 WeakPolarHBondContact O-CB 3.4Å; H427-D431 PolarHBondContact O-N 2.76Å
428	A	74.3	Confident	70.3	Confident	59 Å²	59	108.4 Å²	108.4	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-29.4	175.2	0	0	0	0	0	113.4	E424 Q425 S432	E424-A428 WeakPolarHBondContact O-CB 3.35Å; E424-A428 PolarHBondContact O-N 3.26Å; Q425-A428 PolarHBondContact O-N 3.15Å; A428-S432 VanDerWaalsContact O-CB 3.32Å; A428-S432 WeakPolarHBondContact O-CB 3.27Å; A428-S432 PolarHBondContact O-N 3.02Å
429	V	73.5	Confident	68	Low	80 Å²	80	108.7 Å²	108.7	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-74.4	-41.3	171.8	168.3	0	0	0	0	111.3	Q425 E426 H427 S432 I433	Q425-V429 WeakPolarHBondContact O-CG2 3.46Å; Q425-V429 PolarHBondContact O-N 3Å; E426-V429 PolarHBondContact O-N 2.95Å; H427-V429 PolarHBondContact O-N 3.3Å; V429-S432 WeakPolarHBondContact O-CB 3.46Å; V429-S432 PolarHBondContact O-N 3.04Å; V429-I433 HydrophobicContact CG1-CD1 3.89Å; V429-I433 VanDerWaalsContact O-CG1 3.29Å; V429-I433 WeakPolarHBondContact O-CG1 3.42Å; V429-I433 PolarHBondContact O-N 2.77Å
430	L	64.2	Low	65.6	Low	107 Å²	107	110.6 Å²	110.6	56%	0.56	56%	0.56	S	S	*	*	H	α-helix	trans	-66.7	-44.2	177.1	-70.1	172.1	0	0	0	112.5	E426 H427 S432 I433 E434	E426-L430 WeakPolarHBondContact O-CG 3.45Å; E426-L430 PolarHBondContact O-N 3.29Å; H427-L430 PolarHBondContact O-N 2.97Å; H427-L430 VanDerWaalsContact O-N 3.09Å; L430-S432 VanDerWaalsContact C-N 3.28Å; L430-S432 PolarHBondContact O-N 3.13Å; L430-I433 CarbonylContact O-C 3.55Å; L430-I433 WeakPolarHBondContact O-CA 3.39Å; L430-I433 PolarHBondContact O-N 2.78Å; L430-E434 PolarHBondContact O-N 3.11Å
431	D	62.8	Low	63.3	Low	107 Å²	107	114.2 Å²	114.2	57%	0.572	58%	0.581	S	S	*	*	H	α-helix	trans	-58.4	-42.1	174.1	-72.8	-11.1	0	0	0	111	H427 I433 E434 L435	H427-D431 WeakPolarHBondContact O-CB 3.4Å; H427-D431 PolarHBondContact O-N 2.76Å; D431-I433 VanDerWaalsContact C-N 3.33Å; D431-I433 PolarHBondContact O-N 2.75Å; D431-E434 PolarHBondContact O-N 3.19Å; D431-L435 WeakPolarHBondContact O-CB 3.49Å; D431-L435 PolarHBondContact O-N 3.16Å
432	S	62.6	Low	61.1	Low	60 Å²	60	114.8 Å²	114.8	42%	0.42	59%	0.59	S	S	.	*	H	α-helix	trans	-62.4	-39.1	174.7	-173.2	0	0	0	0	111.8	A428 V429 L430 H436	A428-S432 VanDerWaalsContact O-CB 3.32Å; A428-S432 WeakPolarHBondContact O-CB 3.27Å; A428-S432 PolarHBondContact O-N 3.02Å; V429-S432 WeakPolarHBondContact O-CB 3.46Å; V429-S432 PolarHBondContact O-N 3.04Å; L430-S432 VanDerWaalsContact C-N 3.28Å; L430-S432 PolarHBondContact O-N 3.13Å; S432-H436 PolarHBondContact O-N 3.21Å; S432-H436 PolarHBondContact O-ND1 3.24Å
433	I	62.5	Low	58.9	Low	91 Å²	91	118.4 Å²	118.4	47%	0.467	60%	0.603	S	S	.	*	H	α-helix	trans	-70.1	-42.3	176.3	-68.9	163.6	0	0	0	111.5	V429 L430 D431 L435 H436 L437	V429-I433 HydrophobicContact CG1-CD1 3.89Å; V429-I433 VanDerWaalsContact O-CG1 3.29Å; V429-I433 WeakPolarHBondContact O-CG1 3.42Å; V429-I433 PolarHBondContact O-N 2.77Å; L430-I433 CarbonylContact O-C 3.55Å; L430-I433 WeakPolarHBondContact O-CA 3.39Å; L430-I433 PolarHBondContact O-N 2.78Å; D431-I433 VanDerWaalsContact C-N 3.33Å; D431-I433 PolarHBondContact O-N 2.75Å; I433-L435 VanDerWaalsContact C-N 3.31Å; I433-L435 PolarHBondContact O-N 2.83Å; I433-H436 PolarHBondContact O-N 2.91Å; I433-L437 HydrophobicContact CG2-CD1 4.28Å; I433-L437 PolarHBondContact O-N 3.02Å
434	E	54.6	Low	56.6	Low	101 Å²	101	122 Å²	122	47%	0.472	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-39.9	175.9	-170	-177.6	145.4	0	0	111.2	L430 D431 H436 L437 R438	L430-E434 PolarHBondContact O-N 3.11Å; D431-E434 PolarHBondContact O-N 3.19Å; E434-H436 PolarHBondContact O-N 3.45Å; E434-L437 PolarHBondContact O-N 3.46Å; E434-R438 IonicContact OE1-CZ 3.52Å; E434-R438 VanDerWaalsContact OE1-CZ 3.23Å; E434-R438 IonicContact OE1-NH1 3.23Å; E434-R438 PolarHBondContact OE1-NH1 3.23Å; E434-R438 IonicContact OE1-NH2 2.92Å; E434-R438 PolarHBondContact OE1-NH2 3.01Å
435	L	55.2	Low	54.4	Low	139 Å²	139	124 Å²	124	73%	0.728	63%	0.631	S	S	*	*	H	α-helix	trans	-61.3	-32.7	178.4	-155.6	75.1	0	0	0	112.5	D431 I433 L437	D431-L435 WeakPolarHBondContact O-CB 3.49Å; D431-L435 PolarHBondContact O-N 3.16Å; I433-L435 VanDerWaalsContact C-N 3.31Å; I433-L435 PolarHBondContact O-N 2.83Å; L435-L437 VanDerWaalsContact C-N 3.34Å
436	H	51.8	Low	52.7	Low	145 Å²	145	123.9 Å²	123.9	67%	0.671	64%	0.642	S	S	*	*	H	α-helix	trans	-79.5	-10.2	176.4	-74.7	85.4	0	0	0	114.2	S432 I433 E434	S432-H436 PolarHBondContact O-N 3.21Å; S432-H436 PolarHBondContact O-ND1 3.24Å; I433-H436 PolarHBondContact O-N 2.91Å; E434-H436 PolarHBondContact O-N 3.45Å
437	L	46.8	Very low	51	Low	138 Å²	138	123.5 Å²	123.5	72%	0.723	65%	0.648	S	S	*	*	H	α-helix	trans	-94.7	-11	-179.7	-71.3	170.9	0	0	0	114.1	I433 E434 L435 V439	I433-L437 HydrophobicContact CG2-CD1 4.28Å; I433-L437 PolarHBondContact O-N 3.02Å; E434-L437 PolarHBondContact O-N 3.46Å; L435-L437 VanDerWaalsContact C-N 3.34Å; L437-V439 PolarHBondContact O-N 3.49Å
438	R	48.7	Very low	49	Very low	177 Å²	177	124.9 Å²	124.9	67%	0.668	67%	0.665	S	S	*	*			trans	-90.3	75.2	172.7	-74.3	-164.2	-178.9	81.8	4.5	112.5	E434	E434-R438 IonicContact OE1-CZ 3.52Å; E434-R438 VanDerWaalsContact OE1-CZ 3.23Å; E434-R438 IonicContact OE1-NH1 3.23Å; E434-R438 PolarHBondContact OE1-NH1 3.23Å; E434-R438 IonicContact OE1-NH2 2.92Å; E434-R438 PolarHBondContact OE1-NH2 3.01Å
439	V	36.6	Very low	47.3	Very low	114 Å²	114	128.5 Å²	128.5	69%	0.691	68%	0.68	S	S	*	*			trans	-107.2	113.6	165.8	-179.7	0	0	0	0	109.8	L437 L441	L437-V439 PolarHBondContact O-N 3.49Å; V439-L441 PolarHBondContact O-N 2.62Å
440	P	40.1	Very low	45.3	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	70%	0.695	S	S	*	*			trans	-64.1	131.5	166.5	-18.3	31.9	0	0	0	110.1
441	L	41.7	Very low	43.6	Very low	162 Å²	162	133.2 Å²	133.2	85%	0.848	71%	0.711	S	S	*	*			trans	-67	135.5	170.4	-72.6	77	0	0	0	109.5	V439	V439-L441 PolarHBondContact O-N 2.62Å
442	E	34.7	Very low	42.7	Very low	154 Å²	154	137.2 Å²	137.2	72%	0.72	73%	0.726	S	S	*	*				-175.8	157.3	121	-105.2	178.5	-159.6	0	0	113.8
443	K	37.1	Very low	41.1	Very low	158 Å²	158	140.8 Å²	140.8	69%	0.687	75%	0.745	S	S	*	*			trans	70.4	79.7	157.4	-71.8	158.8	-179.7	132.5	0	119.2
444	E	35.8	Very low	40.1	Very low	189 Å²	189	140.4 Å²	140.4	88%	0.883	76%	0.764	S	S	*	*				67.7	143.4	115.4	-70.6	169	-159.8	0	0	121.2
445	I	37.4	Very low	39	Very low	143 Å²	143	145 Å²	145	73%	0.733	78%	0.782	S	S	*	*			trans	-103.9	163.3	-178.3	-19.2	176.8	0	0	0	109.4	V447	I445-V447 HydrophobicContact CG2-CG2 4.15Å
446	P	40.4	Very low	38.2	Very low	128 Å²	128	148.9 Å²	148.9	83%	0.831	79%	0.793	S	S	*	*				-136.9	150	101.3	32.3	-18.9	0	0	0	114.8
447	V	39.3	Very low	37.3	Very low	112 Å²	112	147.3 Å²	147.3	68%	0.679	80%	0.798	S	S	*	*			trans	-80.6	138.9	-179.7	176.7	0	0	0	0	111.1	I445 V449	I445-V447 HydrophobicContact CG2-CG2 4.15Å; V447-V449 HydrophobicContact CG1-CG2 4.1Å
448	T	29.3	Very low	36.6	Very low	142 Å²	142	149.2 Å²	149.2	87%	0.871	80%	0.803	S	S	*	*			trans	-133.4	132.7	154.8	50.6	0	0	0	0	110.4
449	V	38.7	Very low	36.3	Very low	134 Å²	134	147.7 Å²	147.7	81%	0.812	80%	0.804	S	S	*	*			trans	-98.4	132.3	-179	176.8	0	0	0	0	110.1	V447	V447-V449 HydrophobicContact CG1-CG2 4.1Å
450	A	30.7	Very low	36.1	Very low	97 Å²	97	150.1 Å²	150.1	80%	0.802	81%	0.812	S	S	*	*			trans	-147.5	154.8	166.6	0	0	0	0	0	110.2
451	Q	29.9	Very low	35.6	Very low	190 Å²	190	148.9 Å²	148.9	89%	0.888	80%	0.802	S	S	*	*			trans	-95.6	169.9	-164.3	-64.7	172	-76.3	0	0	114.3
452	E	42.7	Very low	35.4	Very low	190 Å²	190	149 Å²	149	89%	0.888	80%	0.804	S	S	*	*			trans	-51.5	134.1	173.1	-54.2	177	153.1	0	0	113.3
453	T	28.6	Very low	35.8	Very low	136 Å²	136	145.4 Å²	145.4	83%	0.834	80%	0.796	S	S	*	*			trans	-142.9	127.3	143.9	39.4	0	0	0	0	109
454	G	42.9	Very low	36.3	Very low	82 Å²	82	144.6 Å²	144.6	85%	0.845	79%	0.794	S	S	*	*			trans	-71.8	139.6	-172.7	0	0	0	0	0	113.6
455	K	30.5	Very low	37.2	Very low	199 Å²	199	139.7 Å²	139.7	87%	0.865	77%	0.774	S	S	*	*			trans	-130.4	121.1	162.4	-74.3	-178.2	179.1	172.8	0	109.5	S457	K455-S457 PolarHBondContact O-N 2.84Å; K455-S457 VanDerWaalsContact O-N 3.12Å
456	K	39.4	Very low	38.7	Very low	219 Å²	219	141.1 Å²	141.1	95%	0.952	78%	0.778	S	S	*	*			trans	-65.1	106.4	162.5	-71.9	-173.6	173.5	-169.6	0	108.1
457	S	32.3	Very low	40.8	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-78.9	133.1	164.3	49.6	0	0	0	0	109	K455 E459	K455-S457 PolarHBondContact O-N 2.84Å; K455-S457 VanDerWaalsContact O-N 3.12Å; S457-E459 PolarHBondContact O-N 2.74Å
458	H	32.3	Very low	43.1	Very low	178 Å²	178	135 Å²	135	82%	0.824	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.9	130.8	-164.5	-132.6	-82.3	0	0	0	114.2	L460	H458-L460 PolarHBondContact O-N 3.24Å
459	E	41.8	Very low	46	Very low	146 Å²	146	136.2 Å²	136.2	68%	0.682	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-58.5	127.3	162	-172.3	-179.1	166.1	0	0	109.7	S457 T461	S457-E459 PolarHBondContact O-N 2.74Å; E459-T461 HydrophobicContact CG-CG2 3.84Å; E459-T461 WeakPolarHBondContact OE1-CG2 3.48Å; E459-T461 PolarHBondContact OE1-OG1 3.26Å
460	L	32.7	Very low	48.6	Very low	164 Å²	164	131.1 Å²	131.1	86%	0.859	70%	0.698	S	S	*	*			trans	-130	80.2	164.3	-75.4	177.5	0	0	0	106.9	H458 D462	H458-L460 PolarHBondContact O-N 3.24Å; L460-D462 PolarHBondContact O-N 2.61Å
461	T	30.6	Very low	51.6	Low	91 Å²	91	129.4 Å²	129.4	56%	0.558	68%	0.678	S	S	*	*			trans	-78	93.7	-176.9	18.7	0	0	0	0	111	E459 S463	E459-T461 HydrophobicContact CG-CG2 3.84Å; E459-T461 WeakPolarHBondContact OE1-CG2 3.48Å; E459-T461 PolarHBondContact OE1-OG1 3.26Å; T461-S463 PolarHBondContact O-N 2.87Å
462	D	36.3	Very low	54.6	Low	164 Å²	164	128.4 Å²	128.4	88%	0.877	67%	0.673	S	S	*	*			trans	-88.3	59.1	168.1	-150.2	13.3	0	0	0	109.4	L460 E464	L460-D462 PolarHBondContact O-N 2.61Å; D462-E464 PolarHBondContact O-N 3.25Å
463	S	43.3	Very low	57.1	Low	79 Å²	79	125.2 Å²	125.2	55%	0.552	66%	0.658	S	S	*	*			trans	-102.3	67.4	-162.7	60.6	0	0	0	0	113.3	T461	T461-S463 PolarHBondContact O-N 2.87Å
464	E	47.5	Very low	60.2	Low	142 Å²	142	119.8 Å²	119.8	66%	0.664	62%	0.624	S	S	*	*	S	Bend	trans	-101.1	-6	-178	-85.3	-70.5	149.9	0	0	115.2	D462 R665	D462-E464 PolarHBondContact O-N 3.25Å; E464-R665 PolarHBondContact O-NH1 3.44Å; E464-R665 IonicContact OE2-NH2 2.89Å
465	D	54	Low	62.6	Low	86 Å²	86	118 Å²	118	46%	0.46	59%	0.594	S	S	.	*			trans	-134.5	22.3	-168.1	-113.5	9.3	0	0	0	114.3	R665 N668	D465-R665 IonicContact OD1-NH1 3.9Å; D465-R665 PolarHBondContact OD1-NH1 2.87Å; D465-N668 PolarHBondContact OD1-ND2 2.69Å; D465-N668 PolarHBondContact OD2-ND2 3.13Å
466	E	69.1	Low	65.6	Low	173 Å²	173	116.1 Å²	116.1	81%	0.808	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-79.5	129.7	171.5	-170.7	159.3	-138.1	0	0	111.5
467	F	84.4	Confident	68.3	Low	58 Å²	58	109.4 Å²	109.4	25%	0.254	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-73.6	125.6	179.1	-66.7	-67.9	0	0	0	110.4	E469 F669 H673 Y676 F677	F467-E469 PolarHBondContact O-N 3.48Å; F467-F669 HydrophobicContact CZ-CB 4.06Å; F467-H673 AromaticContact CD2-CD2 3.88Å; F467-H673 AromaticContact CE2-CD2 3.5Å; F467-H673 AromaticContact CE2-NE2 3.72Å; F467-Y676 HydrophobicContact CB-CE1 3.86Å; F467-Y676 HydrophobicContact CD1-CE1 4.46Å; F467-Y676 HydrophobicContact CG-CE1 4.24Å; F467-F677 HydrophobicContact CD1-CE1 4.03Å; F467-F677 HydrophobicContact CD1-CZ 4.26Å; F467-F677 AromaticContact CE1-CE1 3.97Å; F467-F677 HydrophobicContact CE1-CE1 3.97Å; F467-F677 AromaticContact CE1-CZ 3.76Å; F467-F677 HydrophobicContact CE1-CZ 3.76Å; F467-F677 HydrophobicContact CZ-CZ 4.03Å
468	P	88.3	Confident	71.2	Confident	53 Å²	53	104.2 Å²	104.2	34%	0.344	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-50.9	121.9	-177.8	-30.8	34.9	0	0	0	113.3	Y676 L691	P468-Y676 VanDerWaalsContact O-CE2 3.29Å; P468-Y676 WeakPolarHBondContact O-CE2 3.4Å; P468-Y676 PolarHBondContact O-OH 3.17Å; P468-L691 HydrophobicContact CG-CB 4.49Å
469	E	90.6	Very high	74.2	Confident	167 Å²	167	101 Å²	101	78%	0.78	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62.8	148.6	-177.4	-170.7	171.1	-152.9	0	0	112	F467	F467-E469 PolarHBondContact O-N 3.48Å
470	I	92.5	Very high	76.6	Confident	28 Å²	28	98.3 Å²	98.3	14%	0.144	49%	0.494	C	S	.	.			trans	-93.9	105.5	174.7	-58.9	177.8	0	0	0	107.2	M474 E475 I478 Y676 K679 R680	I470-M474 HydrophobicContact CG1-CE 4.48Å; I470-M474 HydrophobicContact CG2-CB 3.66Å; I470-M474 HydrophobicContact CG2-CE 4.37Å; I470-E475 HydrophobicContact CG2-CB 4.1Å; I470-E475 HydrophobicContact CG2-CG 4.45Å; I470-I478 HydrophobicContact CG2-CD1 3.83Å; I470-Y676 HydrophobicContact CD1-CD2 3.85Å; I470-Y676 HydrophobicContact CD1-CE2 4Å; I470-Y676 HydrophobicContact CG1-CD2 4.13Å; I470-Y676 HydrophobicContact CG1-CE2 3.84Å; I470-K679 HydrophobicContact CD1-CB 3.58Å; I470-K679 HydrophobicContact CD1-CD 4.43Å; I470-R680 HydrophobicContact CD1-CB 4.07Å
471	T	93.6	Very high	79.4	Confident	61 Å²	61	91 Å²	91	37%	0.374	46%	0.457	S	S	.	.			trans	-65.2	165.2	-179.3	78.5	0	0	0	0	112.1	E473 M474 E475	T471-E473 WeakPolarHBondContact CB-OE2 3.37Å; T471-E473 PolarHBondContact O-N 3.5Å; T471-E473 PolarHBondContact OG1-OE2 2.98Å; T471-M474 HydrophobicContact CG2-SD 4.1Å; T471-M474 PolarHBondContact O-N 3.34Å; T471-M474 VanDerWaalsContact O-N 3.13Å; T471-M474 WeakPolarHBondContact OG1-CG 3.36Å; T471-M474 PolarHBondContact OG1-N 3.09Å; T471-E475 PolarHBondContact O-N 3.21Å
472	E	93.6	Very high	82.3	Confident	169 Å²	169	88.8 Å²	88.8	79%	0.79	44%	0.439	S	S	*	.	H	α-helix	trans	-58.6	-33.5	179.1	-63.5	-168	-177	0	0	112.9	K476	E472-K476 WeakPolarHBondContact O-CB 3.2Å; E472-K476 PolarHBondContact O-N 3.16Å
473	E	93.8	Very high	84.8	Confident	123 Å²	123	88.8 Å²	88.8	58%	0.575	43%	0.427	S	S	*	.	H	α-helix	trans	-66.4	-48.8	174.5	-56.6	77.1	-168.4	0	0	111.3	T471 E475 K476 E477	T471-E473 WeakPolarHBondContact CB-OE2 3.37Å; T471-E473 PolarHBondContact O-N 3.5Å; T471-E473 PolarHBondContact OG1-OE2 2.98Å; E473-E475 VanDerWaalsContact C-N 3.31Å; E473-E475 PolarHBondContact O-N 3.47Å; E473-K476 WeakPolarHBondContact O-CB 3.26Å; E473-K476 PolarHBondContact O-N 3.01Å; E473-E477 WeakPolarHBondContact O-CG 3.28Å; E473-E477 PolarHBondContact O-N 3.07Å
474	M	93.9	Very high	86.7	Confident	21 Å²	21	92 Å²	92	10%	0.103	44%	0.444	C	S	.	.	H	α-helix	trans	-59.7	-43.9	176.9	-61.9	171	62.6	0	0	110.6	I470 T471 K476 E477 I478 W683 L691	I470-M474 HydrophobicContact CG1-CE 4.48Å; I470-M474 HydrophobicContact CG2-CB 3.66Å; I470-M474 HydrophobicContact CG2-CE 4.37Å; T471-M474 HydrophobicContact CG2-SD 4.1Å; T471-M474 PolarHBondContact O-N 3.34Å; T471-M474 VanDerWaalsContact O-N 3.13Å; T471-M474 WeakPolarHBondContact OG1-CG 3.36Å; T471-M474 PolarHBondContact OG1-N 3.09Å; M474-K476 VanDerWaalsContact C-N 3.34Å; M474-K476 PolarHBondContact O-N 3.13Å; M474-E477 PolarHBondContact O-N 3.44Å; M474-I478 WeakPolarHBondContact O-CD1 3.35Å; M474-I478 VanDerWaalsContact O-CG1 3.23Å; M474-I478 WeakPolarHBondContact O-CG1 3.43Å; M474-I478 PolarHBondContact O-N 2.84Å; M474-W683 HydrophobicContact CB-CG 4.4Å; M474-W683 HydrophobicContact CE-CD2 3.75Å; M474-W683 HydrophobicContact CE-CE3 4.04Å; M474-W683 HydrophobicContact CE-CG 4Å; M474-W683 HydrophobicContact CG-CD2 4.49Å; M474-W683 HydrophobicContact CG-CZ2 4.48Å; M474-L691 HydrophobicContact CE-CD1 3.8Å
475	E	94.2	Very high	88.6	Confident	46 Å²	46	86.9 Å²	86.9	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-33	178.8	-147.6	-156.2	-173.8	0	0	112.4	I470 T471 E473 E477 I478 K479 K679	I470-E475 HydrophobicContact CG2-CB 4.1Å; I470-E475 HydrophobicContact CG2-CG 4.45Å; T471-E475 PolarHBondContact O-N 3.21Å; E473-E475 VanDerWaalsContact C-N 3.31Å; E473-E475 PolarHBondContact O-N 3.47Å; E475-E477 VanDerWaalsContact C-N 3.35Å; E475-I478 PolarHBondContact O-N 2.85Å; E475-K479 VanDerWaalsContact CD-NZ 3.25Å; E475-K479 HydrophobicContact CG-CD 4.26Å; E475-K479 WeakPolarHBondContact O-CB 3.49Å; E475-K479 WeakPolarHBondContact O-CD 3.16Å; E475-K479 WeakPolarHBondContact O-CG 3.25Å; E475-K479 PolarHBondContact O-N 2.72Å; E475-K479 WeakPolarHBondContact OE1-CE 3.4Å; E475-K479 IonicContact OE1-NZ 2.6Å; E475-K479 VanDerWaalsContact OE2-CE 3.24Å; E475-K479 WeakPolarHBondContact OE2-CE 3.33Å; E475-K479 IonicContact OE2-NZ 3.48Å; E475-K479 PolarHBondContact OE2-NZ 3.35Å; E475-K679 IonicContact OE1-NZ 3.61Å; E475-K679 PolarHBondContact OE1-NZ 3.11Å
476	K	94.4	Very high	90.4	Very high	158 Å²	158	87.6 Å²	87.6	69%	0.687	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-37.5	173.2	-179	-179.6	180	-179	0	112.1	E472 E473 M474 N480	E472-K476 WeakPolarHBondContact O-CB 3.2Å; E472-K476 PolarHBondContact O-N 3.16Å; E473-K476 WeakPolarHBondContact O-CB 3.26Å; E473-K476 PolarHBondContact O-N 3.01Å; M474-K476 VanDerWaalsContact C-N 3.34Å; M474-K476 PolarHBondContact O-N 3.13Å; K476-N480 WeakPolarHBondContact O-CB 3.39Å; K476-N480 PolarHBondContact O-N 2.85Å; K476-N480 VanDerWaalsContact O-N 3.09Å
477	E	94.6	Very high	91.6	Very high	79 Å²	79	82.2 Å²	82.2	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-66.9	-48.5	173.2	-69.4	170.4	167.5	0	0	111.6	E473 M474 E475 K479 N480 V481 W683 H687	E473-E477 WeakPolarHBondContact O-CG 3.28Å; E473-E477 PolarHBondContact O-N 3.07Å; M474-E477 PolarHBondContact O-N 3.44Å; E475-E477 VanDerWaalsContact C-N 3.35Å; E477-K479 VanDerWaalsContact C-N 3.35Å; E477-K479 PolarHBondContact O-N 2.94Å; E477-N480 WeakPolarHBondContact O-CA 3.46Å; E477-N480 WeakPolarHBondContact O-CB 3.38Å; E477-N480 PolarHBondContact O-N 3.34Å; E477-V481 PolarHBondContact O-N 2.92Å; E477-W683 VanDerWaalsContact OE2-CD1 3.26Å; E477-W683 PolarHBondContact OE2-NE1 3.46Å; E477-H687 IonicContact OE2-CE1 2.86Å; E477-H687 PolarHBondContact OE2-CE1 3.5Å; E477-H687 VanDerWaalsContact OE2-CE1 3.26Å; E477-H687 IonicContact OE2-NE2 2.67Å
478	I	94.4	Very high	92	Very high	3 Å²	3	84.8 Å²	84.8	2%	0.015	42%	0.424	C	S	.	.	H	α-helix	trans	-57.4	-47.4	175	-65.2	157.6	0	0	0	110.6	I470 M474 E475 N480 V481 F482 K679 V682 W683	I470-I478 HydrophobicContact CG2-CD1 3.83Å; M474-I478 WeakPolarHBondContact O-CD1 3.35Å; M474-I478 VanDerWaalsContact O-CG1 3.23Å; M474-I478 WeakPolarHBondContact O-CG1 3.43Å; M474-I478 PolarHBondContact O-N 2.84Å; E475-I478 PolarHBondContact O-N 2.85Å; I478-N480 PolarHBondContact O-N 2.74Å; I478-V481 VanDerWaalsContact O-CG2 3.25Å; I478-V481 WeakPolarHBondContact O-CG2 3.32Å; I478-V481 PolarHBondContact O-N 2.76Å; I478-F482 HydrophobicContact CG2-CD2 3.92Å; I478-F482 HydrophobicContact CG2-CE2 3.51Å; I478-F482 HydrophobicContact CG2-CZ 4.36Å; I478-F482 WeakPolarHBondContact O-CD2 3.14Å; I478-F482 PolarHBondContact O-N 3.03Å; I478-K679 HydrophobicContact CD1-CB 4.14Å; I478-K679 WeakPolarHBondContact CD1-O 3.46Å; I478-K679 HydrophobicContact CG2-CB 4.49Å; I478-K679 HydrophobicContact CG2-CG 4.44Å; I478-V682 HydrophobicContact CG1-CB 4.4Å; I478-V682 HydrophobicContact CG1-CG1 4.2Å; I478-V682 HydrophobicContact CG2-CB 4.46Å; I478-V682 HydrophobicContact CG2-CG1 4.32Å; I478-W683 HydrophobicContact CD1-CB 4.05Å; I478-W683 HydrophobicContact CG1-CB 4.08Å
479	K	93.8	Very high	92.4	Very high	111 Å²	111	85.6 Å²	85.6	48%	0.483	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-18.8	175.2	-76.6	166.1	168.8	168.8	0	113.3	E475 E477 R483	E475-K479 VanDerWaalsContact CD-NZ 3.25Å; E475-K479 HydrophobicContact CG-CD 4.26Å; E475-K479 WeakPolarHBondContact O-CB 3.49Å; E475-K479 WeakPolarHBondContact O-CD 3.16Å; E475-K479 WeakPolarHBondContact O-CG 3.25Å; E475-K479 PolarHBondContact O-N 2.72Å; E475-K479 WeakPolarHBondContact OE1-CE 3.4Å; E475-K479 IonicContact OE1-NZ 2.6Å; E475-K479 VanDerWaalsContact OE2-CE 3.24Å; E475-K479 WeakPolarHBondContact OE2-CE 3.33Å; E475-K479 IonicContact OE2-NZ 3.48Å; E475-K479 PolarHBondContact OE2-NZ 3.35Å; E477-K479 VanDerWaalsContact C-N 3.35Å; E477-K479 PolarHBondContact O-N 2.94Å; K479-R483 VanDerWaalsContact O-CG 3.31Å; K479-R483 WeakPolarHBondContact O-CG 3.37Å
480	N	92.9	Very high	92.7	Very high	88 Å²	88	81.3 Å²	81.3	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-85.7	-37.5	177.8	-170.4	54.4	0	0	0	112.8	K476 E477 I478 R483 R501	K476-N480 WeakPolarHBondContact O-CB 3.39Å; K476-N480 PolarHBondContact O-N 2.85Å; K476-N480 VanDerWaalsContact O-N 3.09Å; E477-N480 WeakPolarHBondContact O-CA 3.46Å; E477-N480 WeakPolarHBondContact O-CB 3.38Å; E477-N480 PolarHBondContact O-N 3.34Å; I478-N480 PolarHBondContact O-N 2.74Å; N480-R483 WeakPolarHBondContact O-CB 3.44Å; N480-R483 PolarHBondContact O-N 3.36Å; N480-R501 PolarHBondContact O-NH1 2.94Å
481	V	92.4	Very high	92.8	Very high	11 Å²	11	81.7 Å²	81.7	7%	0.067	41%	0.41	C	S	.	.	H	α-helix	trans	-74.5	-26.7	177.3	-64.3	0	0	0	0	113.1	E477 I478 R483 L491 R501 I504 V682 L686	E477-V481 PolarHBondContact O-N 2.92Å; I478-V481 VanDerWaalsContact O-CG2 3.25Å; I478-V481 WeakPolarHBondContact O-CG2 3.32Å; I478-V481 PolarHBondContact O-N 2.76Å; V481-R483 VanDerWaalsContact C-N 3.27Å; V481-R483 PolarHBondContact O-N 3.43Å; V481-L491 HydrophobicContact CB-CD1 3.94Å; V481-L491 HydrophobicContact CG1-CD1 3.88Å; V481-L491 HydrophobicContact CG1-CD2 4.39Å; V481-R501 PolarHBondContact O-NH1 2.98Å; V481-I504 HydrophobicContact CB-CG2 4.1Å; V481-I504 HydrophobicContact CG2-CG2 3.74Å; V481-V682 HydrophobicContact CG2-CG1 3.48Å; V481-V682 VanDerWaalsContact CG2-CG1 3.48Å; V481-L686 HydrophobicContact CG1-CD1 3.89Å; V481-L686 HydrophobicContact CG1-CD2 4.07Å; V481-L686 HydrophobicContact CG2-CD1 4.13Å
482	F	91.7	Very high	92.9	Very high	44 Å²	44	79.1 Å²	79.1	19%	0.193	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.3	170.2	-65.9	-39.1	0	0	0	114.7	I478 I504 N508 V682	I478-F482 HydrophobicContact CG2-CD2 3.92Å; I478-F482 HydrophobicContact CG2-CE2 3.51Å; I478-F482 HydrophobicContact CG2-CZ 4.36Å; I478-F482 WeakPolarHBondContact O-CD2 3.14Å; I478-F482 PolarHBondContact O-N 3.03Å; F482-I504 HydrophobicContact CD1-CG2 4.38Å; F482-I504 HydrophobicContact CE1-CG2 4.14Å; F482-N508 HydrophobicContact CD1-CB 3.82Å; F482-N508 HydrophobicContact CE1-CB 3.51Å; F482-N508 HydrophobicContact CE2-CB 4.5Å; F482-N508 HydrophobicContact CG-CB 4.45Å; F482-N508 HydrophobicContact CZ-CB 3.86Å; F482-V682 HydrophobicContact CE1-CG2 4.04Å; F482-V682 HydrophobicContact CZ-CG2 3.66Å
483	R	88.4	Confident	93.1	Very high	165 Å²	165	76.7 Å²	76.7	62%	0.623	38%	0.384	S	S	*	.	S	Bend	trans	-67	148.2	173.7	-62.5	-175.1	178.8	-141.2	-2.9	111.2	K479 N480 V481 G485 R501	K479-R483 VanDerWaalsContact O-CG 3.31Å; K479-R483 WeakPolarHBondContact O-CG 3.37Å; N480-R483 WeakPolarHBondContact O-CB 3.44Å; N480-R483 PolarHBondContact O-N 3.36Å; V481-R483 VanDerWaalsContact C-N 3.27Å; V481-R483 PolarHBondContact O-N 3.43Å; R483-G485 PolarHBondContact O-N 3.06Å; R483-R501 PolarHBondContact O-NH1 3.38Å
484	T	82.8	Confident	93.2	Very high	147 Å²	147	71.8 Å²	71.8	90%	0.902	36%	0.364	S	S	*	.	S	Bend	trans	-55.5	125	169.3	-42.8	0	0	0	0	109.7
485	G	87	Confident	93.2	Very high	34 Å²	34	73.7 Å²	73.7	35%	0.351	37%	0.372	S	S	.	.			trans	-169.8	-177.2	-174.2	0	0	0	0	0	110.4	R483 Q487	R483-G485 PolarHBondContact O-N 3.06Å; G485-Q487 PolarHBondContact O-N 3.17Å; G485-Q487 PolarHBondContact O-NE2 2.82Å
486	N	93.1	Very high	93.2	Very high	101 Å²	101	83 Å²	83	54%	0.54	41%	0.405	S	S	.	.			trans	-59.4	123.2	179.2	178.3	22	0	0	0	110.4	D488 E489 R501	N486-D488 PolarHBondContact OD1-N 2.85Å; N486-E489 HydrophobicContact CB-CB 4.18Å; N486-E489 WeakPolarHBondContact O-CB 3.2Å; N486-E489 PolarHBondContact O-N 3.37Å; N486-R501 WeakPolarHBondContact O-CB 3.48Å; N486-R501 WeakPolarHBondContact O-CD 3.36Å
487	Q	92.5	Very high	93.2	Very high	59 Å²	59	77.2 Å²	77.2	28%	0.276	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.1	-176.9	-66.7	-56.4	-63.3	0	0	112.4	G485 E489 T500 K502	G485-Q487 PolarHBondContact O-N 3.17Å; G485-Q487 PolarHBondContact O-NE2 2.82Å; Q487-E489 PolarHBondContact O-N 3.36Å; Q487-T500 WeakPolarHBondContact O-CB 3.34Å; Q487-K502 HydrophobicContact CB-CB 4.26Å; Q487-K502 PolarHBondContact O-N 3.39Å; Q487-K502 VanDerWaalsContact O-N 3.15Å
488	D	94.4	Very high	93.3	Very high	112 Å²	112	76.1 Å²	76.1	60%	0.599	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	7.9	177.8	-59.3	-24.7	0	0	0	112.7	N486 V490	N486-D488 PolarHBondContact OD1-N 2.85Å; D488-V490 PolarHBondContact O-N 3.21Å
489	E	95.6	Very high	93.5	Very high	70 Å²	70	76 Å²	76	33%	0.327	38%	0.379	S	S	.	.			trans	-68.5	118.7	175.7	-176.6	-175.5	-179.8	0	0	110.3	N486 Q487 L491 T500 R501	N486-E489 HydrophobicContact CB-CB 4.18Å; N486-E489 WeakPolarHBondContact O-CB 3.2Å; N486-E489 PolarHBondContact O-N 3.37Å; Q487-E489 PolarHBondContact O-N 3.36Å; E489-L491 HydrophobicContact CG-CD2 4.01Å; E489-L491 PolarHBondContact O-N 3.33Å; E489-T500 CarbonylContact O-C 3.58Å; E489-T500 WeakPolarHBondContact O-CA 3.49Å; E489-R501 HydrophobicContact CB-CB 4.34Å; E489-R501 PolarHBondContact O-N 3.38Å; E489-R501 IonicContact OE1-NH2 3.75Å; E489-R501 PolarHBondContact OE1-NH2 3.01Å; E489-R501 IonicContact OE2-CZ 3.71Å; E489-R501 IonicContact OE2-NE 2.6Å; E489-R501 PolarHBondContact OE2-NE 3.15Å; E489-R501 IonicContact OE2-NH2 3.73Å; E489-R501 PolarHBondContact OE2-NH2 3.45Å
490	V	96.7	Very high	93.7	Very high	78 Å²	78	71.7 Å²	71.7	47%	0.473	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.5	174.5	-179.7	0	0	0	0	109.4	D488 E493 T498	D488-V490 PolarHBondContact O-N 3.21Å; V490-E493 HydrophobicContact CG1-CB 4.44Å; V490-T498 HydrophobicContact CB-CG2 4.18Å; V490-T498 HydrophobicContact CG1-CG2 3.58Å; V490-T498 HydrophobicContact CG2-CG2 3.51Å
491	L	95.5	Very high	93.8	Very high	36 Å²	36	68.3 Å²	68.3	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-28.3	179.5	-62.6	-178.7	0	0	0	112.7	V481 E489 I499 R501 I504 L686	V481-L491 HydrophobicContact CB-CD1 3.94Å; V481-L491 HydrophobicContact CG1-CD1 3.88Å; V481-L491 HydrophobicContact CG1-CD2 4.39Å; E489-L491 HydrophobicContact CG-CD2 4.01Å; E489-L491 PolarHBondContact O-N 3.33Å; L491-I499 PolarHBondContact N-O 3Å; L491-R501 HydrophobicContact CD1-CB 3.94Å; L491-R501 HydrophobicContact CD1-CG 4.31Å; L491-R501 HydrophobicContact CG-CB 4.32Å; L491-I504 HydrophobicContact CD1-CB 4.08Å; L491-I504 HydrophobicContact CD1-CG1 3.86Å; L491-I504 HydrophobicContact CD1-CG2 4.41Å; L491-L686 HydrophobicContact CB-CD2 3.82Å
492	S	96.2	Very high	94	Very high	6 Å²	6	72.3 Å²	72.3	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140	175	-165.6	0	0	0	0	111.1	I499 F520 I685 R688	S492-I499 PolarHBondContact N-O 3.22Å; S492-I499 PolarHBondContact O-N 3.22Å; S492-F520 WeakPolarHBondContact OG-CZ 3.43Å; S492-I685 WeakPolarHBondContact CB-O 3.43Å; S492-I685 PolarHBondContact OG-O 3.02Å; S492-R688 WeakPolarHBondContact OG-CG 3.35Å
493	E	96.9	Very high	94.3	Very high	119 Å²	119	70.8 Å²	70.8	56%	0.556	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.8	174.8	-165.8	-176.8	-176.3	0	0	109.6	V490 R688	V490-E493 HydrophobicContact CG1-CB 4.44Å; E493-R688 PolarHBondContact O-NH1 3.47Å
494	A	95	Very high	94.7	Very high	20 Å²	20	62.9 Å²	62.9	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.9	177.6	0	0	0	0	0	109.6	R496 L497 F520 R688	A494-R496 PolarHBondContact O-N 2.83Å; A494-L497 PolarHBondContact N-O 3.4Å; A494-L497 PolarHBondContact O-N 2.82Å; A494-F520 HydrophobicContact CB-CE2 3.79Å; A494-F520 HydrophobicContact CB-CZ 3.71Å; A494-R688 HydrophobicContact CB-CG 4.33Å
495	F	94.1	Very high	95.3	Very high	61 Å²	61	58.6 Å²	58.6	27%	0.268	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	7	174.1	-39.8	-66.8	0	0	0	116.3	L497 F520 N523 M524 E527	F495-L497 VanDerWaalsContact C-N 3.31Å; F495-F520 HydrophobicContact CD2-CD2 4.37Å; F495-F520 HydrophobicContact CD2-CE2 4.34Å; F495-F520 HydrophobicContact CE2-CE1 4.29Å; F495-F520 HydrophobicContact CE2-CZ 4.35Å; F495-N523 HydrophobicContact CB-CB 4.03Å; F495-N523 HydrophobicContact CD1-CB 3.9Å; F495-N523 HydrophobicContact CD2-CB 3.44Å; F495-N523 VanDerWaalsContact CD2-CB 3.44Å; F495-N523 HydrophobicContact CE1-CB 4.24Å; F495-N523 HydrophobicContact CE2-CB 3.81Å; F495-N523 HydrophobicContact CG-CB 3.49Å; F495-N523 VanDerWaalsContact CG-CB 3.49Å; F495-N523 HydrophobicContact CZ-CB 4.21Å; F495-M524 HydrophobicContact CE2-CG 3.88Å; F495-M524 HydrophobicContact CZ-CG 4.15Å; F495-E527 HydrophobicContact CE1-CB 4.21Å; F495-E527 VanDerWaalsContact CE1-OE2 3.27Å; F495-E527 WeakPolarHBondContact CE1-OE2 3.44Å; F495-E527 HydrophobicContact CZ-CB 4.25Å
496	R	94	Very high	95.8	Very high	242 Å²	242	58 Å²	58	91%	0.913	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	21.7	-166.5	-45.9	169.7	179.4	-151.6	-7.3	114.3	A494	A494-R496 PolarHBondContact O-N 2.83Å
497	L	95.4	Very high	95.9	Very high	36 Å²	36	53.1 Å²	53.1	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.2	165.6	-58.6	176.3	0	0	0	108.7	A494 F495 N519 F520	A494-L497 PolarHBondContact N-O 3.4Å; A494-L497 PolarHBondContact O-N 2.82Å; F495-L497 VanDerWaalsContact C-N 3.31Å; L497-N519 HydrophobicContact CD1-CB 3.89Å; L497-F520 HydrophobicContact CB-CD2 3.97Å; L497-F520 HydrophobicContact CD1-CB 4.26Å; L497-F520 HydrophobicContact CD1-CD2 4.48Å
498	T	97.2	Very high	95.9	Very high	55 Å²	55	52 Å²	52	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.3	-174.3	-53	0	0	0	0	108	V490	V490-T498 HydrophobicContact CB-CG2 4.18Å; V490-T498 HydrophobicContact CG1-CG2 3.58Å; V490-T498 HydrophobicContact CG2-CG2 3.51Å
499	I	97.9	Very high	95.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.3	-179.4	-63.5	-53.7	0	0	0	109.1	L491 S492 D503 I504 E516 I517 F520 I685	L491-I499 PolarHBondContact N-O 3Å; S492-I499 PolarHBondContact N-O 3.22Å; S492-I499 PolarHBondContact O-N 3.22Å; I499-D503 HydrophobicContact CG2-CB 4.13Å; I499-I504 HydrophobicContact CG2-CD1 3.79Å; I499-I504 HydrophobicContact CG2-CG1 3.63Å; I499-E516 HydrophobicContact CD1-CB 3.94Å; I499-I517 HydrophobicContact CD1-CD1 4.18Å; I499-I517 HydrophobicContact CG2-CD1 4.03Å; I499-F520 HydrophobicContact CD1-CB 3.9Å; I499-F520 HydrophobicContact CD1-CD2 3.96Å; I499-F520 HydrophobicContact CD1-CG 4.12Å; I499-F520 HydrophobicContact CG1-CB 4.11Å; I499-F520 HydrophobicContact CG1-CD1 4.45Å; I499-F520 HydrophobicContact CG1-CD2 3.4Å; I499-F520 VanDerWaalsContact CG1-CD2 3.4Å; I499-F520 HydrophobicContact CG1-CE2 3.78Å; I499-F520 HydrophobicContact CG1-CG 3.76Å; I499-F520 HydrophobicContact CG1-CZ 4.44Å; I499-I685 HydrophobicContact CB-CG2 4.39Å; I499-I685 HydrophobicContact CG1-CG2 4.13Å; I499-I685 HydrophobicContact CG2-CG2 4.02Å
500	T	97.4	Very high	95.5	Very high	21 Å²	21	55.6 Å²	55.6	13%	0.129	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	170.3	176.8	69.9	0	0	0	0	112.2	Q487 E489 K502 D503 I504	Q487-T500 WeakPolarHBondContact O-CB 3.34Å; E489-T500 CarbonylContact O-C 3.58Å; E489-T500 WeakPolarHBondContact O-CA 3.49Å; T500-K502 PolarHBondContact O-N 3.26Å; T500-K502 WeakPolarHBondContact OG1-CB 3.29Å; T500-K502 PolarHBondContact OG1-N 2.64Å; T500-D503 WeakPolarHBondContact CB-OD2 3.43Å; T500-D503 PolarHBondContact N-OD2 3.34Å; T500-D503 PolarHBondContact O-N 3.02Å; T500-D503 VanDerWaalsContact OG1-CG 3.3Å; T500-D503 PolarHBondContact OG1-N 3.31Å; T500-D503 PolarHBondContact OG1-OD2 2.67Å; T500-I504 PolarHBondContact O-N 3.36Å
501	R	96.1	Very high	95.3	Very high	18 Å²	18	55.5 Å²	55.5	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-37.9	169.4	-173.2	177.9	-68.5	-96.8	-4.2	111.7	N480 V481 R483 N486 E489 L491 D503 I504 Q505	N480-R501 PolarHBondContact O-NH1 2.94Å; V481-R501 PolarHBondContact O-NH1 2.98Å; R483-R501 PolarHBondContact O-NH1 3.38Å; N486-R501 WeakPolarHBondContact O-CB 3.48Å; N486-R501 WeakPolarHBondContact O-CD 3.36Å; E489-R501 HydrophobicContact CB-CB 4.34Å; E489-R501 PolarHBondContact O-N 3.38Å; E489-R501 IonicContact OE1-NH2 3.75Å; E489-R501 PolarHBondContact OE1-NH2 3.01Å; E489-R501 IonicContact OE2-CZ 3.71Å; E489-R501 IonicContact OE2-NE 2.6Å; E489-R501 PolarHBondContact OE2-NE 3.15Å; E489-R501 IonicContact OE2-NH2 3.73Å; E489-R501 PolarHBondContact OE2-NH2 3.45Å; L491-R501 HydrophobicContact CD1-CB 3.94Å; L491-R501 HydrophobicContact CD1-CG 4.31Å; L491-R501 HydrophobicContact CG-CB 4.32Å; R501-D503 VanDerWaalsContact C-N 3.33Å; R501-D503 PolarHBondContact O-N 3.04Å; R501-I504 PolarHBondContact O-N 3.5Å; R501-Q505 WeakPolarHBondContact O-CG 3.29Å; R501-Q505 PolarHBondContact O-N 2.85Å
502	K	96.4	Very high	95.4	Very high	94 Å²	94	60.5 Å²	60.5	41%	0.409	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-43.3	174.4	-173.2	-176.8	176.5	-176.3	0	112	Q487 T500 Q505	Q487-K502 HydrophobicContact CB-CB 4.26Å; Q487-K502 PolarHBondContact O-N 3.39Å; Q487-K502 VanDerWaalsContact O-N 3.15Å; T500-K502 PolarHBondContact O-N 3.26Å; T500-K502 WeakPolarHBondContact OG1-CB 3.29Å; T500-K502 PolarHBondContact OG1-N 2.64Å; K502-Q505 PolarHBondContact O-N 2.83Å
503	D	97.3	Very high	95.4	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.064	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-45.9	179	-55.8	-56.3	0	0	0	111.1	I499 T500 R501 Q505 T506 N514 I517	I499-D503 HydrophobicContact CG2-CB 4.13Å; T500-D503 WeakPolarHBondContact CB-OD2 3.43Å; T500-D503 PolarHBondContact N-OD2 3.34Å; T500-D503 PolarHBondContact O-N 3.02Å; T500-D503 VanDerWaalsContact OG1-CG 3.3Å; T500-D503 PolarHBondContact OG1-N 3.31Å; T500-D503 PolarHBondContact OG1-OD2 2.67Å; R501-D503 VanDerWaalsContact C-N 3.33Å; R501-D503 PolarHBondContact O-N 3.04Å; D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 3.37Å; D503-T506 WeakPolarHBondContact O-CB 3.35Å; D503-T506 WeakPolarHBondContact O-CG2 3.45Å; D503-T506 PolarHBondContact O-N 3.22Å; D503-T506 PolarHBondContact O-OG1 2.92Å; D503-N514 PolarHBondContact OD1-ND2 2.62Å; D503-I517 HydrophobicContact CB-CD1 4.13Å; D503-I517 HydrophobicContact CB-CG1 4.14Å; D503-I517 WeakPolarHBondContact O-CG1 3.47Å
504	I	96.8	Very high	95.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-35.2	175.6	-72.5	-63.9	0	0	0	112.2	V481 F482 L491 I499 T500 R501 T506 L507 I517 V682 I685	V481-I504 HydrophobicContact CB-CG2 4.1Å; V481-I504 HydrophobicContact CG2-CG2 3.74Å; F482-I504 HydrophobicContact CD1-CG2 4.38Å; F482-I504 HydrophobicContact CE1-CG2 4.14Å; L491-I504 HydrophobicContact CD1-CB 4.08Å; L491-I504 HydrophobicContact CD1-CG1 3.86Å; L491-I504 HydrophobicContact CD1-CG2 4.41Å; I499-I504 HydrophobicContact CG2-CD1 3.79Å; I499-I504 HydrophobicContact CG2-CG1 3.63Å; T500-I504 PolarHBondContact O-N 3.36Å; R501-I504 PolarHBondContact O-N 3.5Å; I504-T506 PolarHBondContact O-N 2.94Å; I504-T506 VanDerWaalsContact O-N 3.15Å; I504-L507 HydrophobicContact CD1-CD1 4.3Å; I504-L507 WeakPolarHBondContact O-CB 3.49Å; I504-L507 PolarHBondContact O-N 3.43Å; I504-I517 HydrophobicContact CD1-CD1 3.99Å; I504-V682 HydrophobicContact CG2-CG1 3.99Å; I504-V682 HydrophobicContact CG2-CG2 4.17Å; I504-I685 HydrophobicContact CD1-CB 4.35Å; I504-I685 HydrophobicContact CD1-CG2 3.91Å
505	Q	95.9	Very high	95.6	Very high	56 Å²	56	57.3 Å²	57.3	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-19.1	175.5	-74.9	-174.7	7.4	0	0	113.5	R501 K502 D503 L507 N508 N511	R501-Q505 WeakPolarHBondContact O-CG 3.29Å; R501-Q505 PolarHBondContact O-N 2.85Å; K502-Q505 PolarHBondContact O-N 2.83Å; D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 3.37Å; Q505-L507 PolarHBondContact O-N 3.16Å; Q505-N508 WeakPolarHBondContact O-CB 3.36Å; Q505-N508 PolarHBondContact O-N 2.9Å; Q505-N508 VanDerWaalsContact O-N 3.13Å; Q505-N511 PolarHBondContact O-ND2 2.87Å
506	T	96.6	Very high	95.7	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.129	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.7	172.8	72.2	0	0	0	0	113.6	D503 I504 N508 N511 W512 N514 R678	D503-T506 WeakPolarHBondContact O-CB 3.35Å; D503-T506 WeakPolarHBondContact O-CG2 3.45Å; D503-T506 PolarHBondContact O-N 3.22Å; D503-T506 PolarHBondContact O-OG1 2.92Å; I504-T506 PolarHBondContact O-N 2.94Å; I504-T506 VanDerWaalsContact O-N 3.15Å; T506-N508 VanDerWaalsContact C-N 3.33Å; T506-N511 CarbonylContact O-C 3.58Å; T506-N511 VanDerWaalsContact O-CB 3.29Å; T506-N511 WeakPolarHBondContact O-CB 2.98Å; T506-W512 WeakPolarHBondContact CB-O 3.39Å; T506-N514 HydrophobicContact CG2-CB 4.17Å; T506-R678 PolarHBondContact O-NH1 3.19Å
507	L	96.3	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.6	172.5	-71.9	164.8	0	0	0	112.6	I504 Q505 L513 I517 M652 R678 M681 V682 I685	I504-L507 HydrophobicContact CD1-CD1 4.3Å; I504-L507 WeakPolarHBondContact O-CB 3.49Å; I504-L507 PolarHBondContact O-N 3.43Å; Q505-L507 PolarHBondContact O-N 3.16Å; L507-L513 HydrophobicContact CD2-CD1 4.03Å; L507-L513 HydrophobicContact CD2-CD2 3.85Å; L507-L513 HydrophobicContact CD2-CG 3.88Å; L507-I517 HydrophobicContact CD1-CD1 4.09Å; L507-I517 HydrophobicContact CD1-CG2 4.02Å; L507-I517 HydrophobicContact CD2-CG2 4.03Å; L507-I517 HydrophobicContact CG-CG2 4.05Å; L507-M652 HydrophobicContact CD2-SD 3.6Å; L507-R678 WeakPolarHBondContact O-CB 3.37Å; L507-R678 WeakPolarHBondContact O-CD 3.35Å; L507-R678 WeakPolarHBondContact O-CG 3.5Å; L507-R678 PolarHBondContact O-NH1 2.88Å; L507-M681 HydrophobicContact CD1-CB 4.4Å; L507-M681 HydrophobicContact CD1-CG 4.18Å; L507-M681 HydrophobicContact CD1-SD 4.44Å; L507-M681 HydrophobicContact CD2-CB 4.26Å; L507-M681 HydrophobicContact CD2-CG 4.18Å; L507-M681 HydrophobicContact CD2-SD 3.62Å; L507-V682 HydrophobicContact CB-CG2 3.65Å; L507-V682 HydrophobicContact CD1-CB 4.46Å; L507-V682 HydrophobicContact CD1-CG2 3.54Å; L507-V682 HydrophobicContact CG-CG2 4.22Å; L507-I685 HydrophobicContact CD1-CD1 4.02Å
508	N	93.1	Very high	96.1	Very high	36 Å²	36	44 Å²	44	19%	0.193	21%	0.214	C	C	.	.	S	Bend	trans	-69.4	142.9	-175.2	-160.2	15.9	0	0	0	112.8	F482 Q505 T506 L510 N511	F482-N508 HydrophobicContact CD1-CB 3.82Å; F482-N508 HydrophobicContact CE1-CB 3.51Å; F482-N508 HydrophobicContact CE2-CB 4.5Å; F482-N508 HydrophobicContact CG-CB 4.45Å; F482-N508 HydrophobicContact CZ-CB 3.86Å; Q505-N508 WeakPolarHBondContact O-CB 3.36Å; Q505-N508 PolarHBondContact O-N 2.9Å; Q505-N508 VanDerWaalsContact O-N 3.13Å; T506-N508 VanDerWaalsContact C-N 3.33Å; N508-L510 PolarHBondContact O-N 2.88Å; N508-L510 VanDerWaalsContact O-N 3.11Å; N508-N511 VanDerWaalsContact O-CB 3.29Å; N508-N511 WeakPolarHBondContact O-CB 3.48Å; N508-N511 PolarHBondContact O-N 3.42Å
509	H	89	Confident	96.2	Very high	145 Å²	145	41.8 Å²	41.8	67%	0.671	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	39.6	-110.5	177.6	-56.6	-60.1	0	0	0	114.4	R678	H509-R678 WeakPolarHBondContact O-CD 3.23Å; H509-R678 PolarHBondContact O-NE 2.88Å
510	L	92	Very high	96.2	Very high	111 Å²	111	41.8 Å²	41.8	58%	0.581	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	23.2	-176.7	-65.3	176.8	0	0	0	112.2	N508 S648	N508-L510 PolarHBondContact O-N 2.88Å; N508-L510 VanDerWaalsContact O-N 3.11Å; L510-S648 WeakPolarHBondContact O-CB 3.5Å; L510-S648 PolarHBondContact O-OG 3.23Å
511	N	93.2	Very high	96.2	Very high	76 Å²	76	40.8 Å²	40.8	41%	0.406	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-71.3	149.3	179.4	-68.2	-12	0	0	0	111.8	Q505 T506 N508 R678	Q505-N511 PolarHBondContact O-ND2 2.87Å; T506-N511 CarbonylContact O-C 3.58Å; T506-N511 VanDerWaalsContact O-CB 3.29Å; T506-N511 WeakPolarHBondContact O-CB 2.98Å; N508-N511 VanDerWaalsContact O-CB 3.29Å; N508-N511 WeakPolarHBondContact O-CB 3.48Å; N508-N511 PolarHBondContact O-N 3.42Å; N511-R678 PolarHBondContact O-NH1 3.46Å; N511-R678 PolarHBondContact O-NH2 3.29Å
512	W	95.8	Very high	96.4	Very high	142 Å²	142	40 Å²	40	54%	0.538	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-74.1	124.6	171.8	-72	-16	0	0	0	111.1	T506 V579 G647 S648	T506-W512 WeakPolarHBondContact CB-O 3.39Å; W512-V579 HydrophobicContact CH2-CB 3.72Å; W512-V579 HydrophobicContact CH2-CG1 3.82Å; W512-V579 HydrophobicContact CH2-CG2 4.4Å; W512-V579 HydrophobicContact CZ2-CB 4.31Å; W512-V579 HydrophobicContact CZ3-CB 3.95Å; W512-V579 HydrophobicContact CZ3-CG1 3.84Å; W512-G647 PolarHBondContact NE1-O 3.44Å; W512-S648 VanDerWaalsContact CD1-CA 3.42Å
513	L	97.4	Very high	96.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-63.2	138.3	171.9	-82.9	67	0	0	0	110.3	L507 I517 I518 W581 M652 M681	L507-L513 HydrophobicContact CD2-CD1 4.03Å; L507-L513 HydrophobicContact CD2-CD2 3.85Å; L507-L513 HydrophobicContact CD2-CG 3.88Å; L513-I517 HydrophobicContact CD2-CG2 3.94Å; L513-I517 HydrophobicContact CG-CG2 4.19Å; L513-I518 HydrophobicContact CB-CD1 4.17Å; L513-I518 HydrophobicContact CB-CG1 4.22Å; L513-I518 HydrophobicContact CD2-CG1 4.31Å; L513-W581 PolarHBondContact O-NE1 2.91Å; L513-M652 HydrophobicContact CD1-CG 3.81Å; L513-M652 HydrophobicContact CD1-SD 3.88Å; L513-M652 HydrophobicContact CD2-CG 4.2Å; L513-M652 HydrophobicContact CD2-SD 3.64Å; L513-M652 HydrophobicContact CG-SD 4.35Å; L513-M681 HydrophobicContact CD2-SD 4.32Å
514	N	97.1	Very high	96.5	Very high	41 Å²	41	37.2 Å²	37.2	22%	0.219	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-92.9	171.8	175.4	74.9	0	0	0	0	113	D503 T506 E516 I517 I518	D503-N514 PolarHBondContact OD1-ND2 2.62Å; T506-N514 HydrophobicContact CG2-CB 4.17Å; N514-E516 VanDerWaalsContact C-N 3.29Å; N514-E516 PolarHBondContact O-N 2.89Å; N514-E516 PolarHBondContact OD1-N 3.49Å; N514-I517 PolarHBondContact O-N 2.86Å; N514-I517 WeakPolarHBondContact OD1-CG1 3.45Å; N514-I517 PolarHBondContact OD1-N 3.37Å; N514-I518 PolarHBondContact O-N 3.45Å
515	D	97.6	Very high	96.6	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	18%	0.18	C	C	.	.	H	α-helix	trans	-53.3	-41.6	176.6	-67.6	-102.6	0	0	0	113.3	I518 N519 T542 F543	D515-I518 PolarHBondContact O-N 3.21Å; D515-N519 WeakPolarHBondContact O-CB 3.38Å; D515-N519 PolarHBondContact O-N 2.96Å; D515-N519 PolarHBondContact O-ND2 2.84Å; D515-T542 HydrophobicContact CB-CG2 4.48Å; D515-T542 WeakPolarHBondContact OD1-CB 3.39Å; D515-T542 PolarHBondContact OD1-OG1 3.28Å; D515-F543 HydrophobicContact CB-CE2 4.23Å; D515-F543 HydrophobicContact CB-CZ 4.03Å; D515-F543 WeakPolarHBondContact OD1-CZ 3.41Å
516	E	97.9	Very high	96.6	Very high	60 Å²	60	36.4 Å²	36.4	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-66.1	-45.5	-174.9	-64	-57.4	146.1	0	0	111.9	I499 N514 I518 N519 F520	I499-E516 HydrophobicContact CD1-CB 3.94Å; N514-E516 VanDerWaalsContact C-N 3.29Å; N514-E516 PolarHBondContact O-N 2.89Å; N514-E516 PolarHBondContact OD1-N 3.49Å; E516-I518 PolarHBondContact O-N 2.86Å; E516-N519 PolarHBondContact O-N 3.11Å; E516-F520 VanDerWaalsContact O-CB 3.25Å; E516-F520 WeakPolarHBondContact O-CB 3.36Å; E516-F520 PolarHBondContact O-N 2.98Å
517	I	98.4	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-45	176	-68.1	-66.7	0	0	0	111.3	I499 D503 I504 L507 L513 N514 F520 Y521 M681 I685	I499-I517 HydrophobicContact CD1-CD1 4.18Å; I499-I517 HydrophobicContact CG2-CD1 4.03Å; D503-I517 HydrophobicContact CB-CD1 4.13Å; D503-I517 HydrophobicContact CB-CG1 4.14Å; D503-I517 WeakPolarHBondContact O-CG1 3.47Å; I504-I517 HydrophobicContact CD1-CD1 3.99Å; L507-I517 HydrophobicContact CD1-CD1 4.09Å; L507-I517 HydrophobicContact CD1-CG2 4.02Å; L507-I517 HydrophobicContact CD2-CG2 4.03Å; L507-I517 HydrophobicContact CG-CG2 4.05Å; L513-I517 HydrophobicContact CD2-CG2 3.94Å; L513-I517 HydrophobicContact CG-CG2 4.19Å; N514-I517 PolarHBondContact O-N 2.86Å; N514-I517 WeakPolarHBondContact OD1-CG1 3.45Å; N514-I517 PolarHBondContact OD1-N 3.37Å; I517-F520 PolarHBondContact O-N 2.81Å; I517-Y521 WeakPolarHBondContact O-CB 3.48Å; I517-Y521 PolarHBondContact O-N 2.86Å; I517-M681 HydrophobicContact CG2-SD 4.16Å; I517-I685 HydrophobicContact CD1-CD1 3.84Å; I517-I685 HydrophobicContact CG2-CD1 4Å
518	I	98.6	Very high	96.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-47.2	179.6	-65.6	171.1	0	0	0	110.4	L513 N514 D515 E516 F520 Y521 M522 T542 P574 W581	L513-I518 HydrophobicContact CB-CD1 4.17Å; L513-I518 HydrophobicContact CB-CG1 4.22Å; L513-I518 HydrophobicContact CD2-CG1 4.31Å; N514-I518 PolarHBondContact O-N 3.45Å; D515-I518 PolarHBondContact O-N 3.21Å; E516-I518 PolarHBondContact O-N 2.86Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.48Å; I518-Y521 PolarHBondContact O-N 2.93Å; I518-M522 HydrophobicContact CG2-CE 4.29Å; I518-M522 HydrophobicContact CG2-CG 4.25Å; I518-M522 WeakPolarHBondContact O-CB 3.35Å; I518-M522 WeakPolarHBondContact O-CG 3.27Å; I518-M522 PolarHBondContact O-N 3.3Å; I518-T542 HydrophobicContact CB-CG2 4.17Å; I518-T542 HydrophobicContact CG2-CG2 3.81Å; I518-P574 HydrophobicContact CG2-CB 4.22Å; I518-P574 HydrophobicContact CG2-CG 4.36Å; I518-W581 HydrophobicContact CD1-CD2 3.44Å; I518-W581 VanDerWaalsContact CD1-CD2 3.44Å; I518-W581 HydrophobicContact CD1-CE3 3.9Å; I518-W581 HydrophobicContact CD1-CG 3.82Å; I518-W581 HydrophobicContact CD1-CH2 4.2Å; I518-W581 HydrophobicContact CD1-CZ2 3.77Å; I518-W581 HydrophobicContact CD1-CZ3 4.25Å
519	N	98.5	Very high	96.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-40.3	177.7	-75.6	-50.6	0	0	0	111.8	L497 D515 E516 N523 N541 T542	L497-N519 HydrophobicContact CD1-CB 3.89Å; D515-N519 WeakPolarHBondContact O-CB 3.38Å; D515-N519 PolarHBondContact O-N 2.96Å; D515-N519 PolarHBondContact O-ND2 2.84Å; E516-N519 PolarHBondContact O-N 3.11Å; N519-N523 PolarHBondContact O-N 2.85Å; N519-N523 VanDerWaalsContact O-N 3.09Å; N519-N523 PolarHBondContact O-ND2 2.84Å; N519-N541 WeakPolarHBondContact OD1-CA 3.44Å; N519-N541 VanDerWaalsContact OD1-CB 3.23Å; N519-N541 WeakPolarHBondContact OD1-CB 3.42Å; N519-T542 PolarHBondContact ND2-OG1 2.76Å; N519-T542 PolarHBondContact OD1-N 3.35Å
520	F	98.6	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-46.2	177.7	-163.7	-79.8	0	0	0	111.9	S492 A494 F495 L497 I499 E516 I517 I518 M522 N523 M524 I685 R688	S492-F520 WeakPolarHBondContact OG-CZ 3.43Å; A494-F520 HydrophobicContact CB-CE2 3.79Å; A494-F520 HydrophobicContact CB-CZ 3.71Å; F495-F520 HydrophobicContact CD2-CD2 4.37Å; F495-F520 HydrophobicContact CD2-CE2 4.34Å; F495-F520 HydrophobicContact CE2-CE1 4.29Å; F495-F520 HydrophobicContact CE2-CZ 4.35Å; L497-F520 HydrophobicContact CB-CD2 3.97Å; L497-F520 HydrophobicContact CD1-CB 4.26Å; L497-F520 HydrophobicContact CD1-CD2 4.48Å; I499-F520 HydrophobicContact CD1-CB 3.9Å; I499-F520 HydrophobicContact CD1-CD2 3.96Å; I499-F520 HydrophobicContact CD1-CG 4.12Å; I499-F520 HydrophobicContact CG1-CB 4.11Å; I499-F520 HydrophobicContact CG1-CD1 4.45Å; I499-F520 HydrophobicContact CG1-CD2 3.4Å; I499-F520 VanDerWaalsContact CG1-CD2 3.4Å; I499-F520 HydrophobicContact CG1-CE2 3.78Å; I499-F520 HydrophobicContact CG1-CG 3.76Å; I499-F520 HydrophobicContact CG1-CZ 4.44Å; E516-F520 VanDerWaalsContact O-CB 3.25Å; E516-F520 WeakPolarHBondContact O-CB 3.36Å; E516-F520 PolarHBondContact O-N 2.98Å; I517-F520 PolarHBondContact O-N 2.81Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.48Å; F520-M522 VanDerWaalsContact C-N 3.35Å; F520-M522 PolarHBondContact O-N 2.78Å; F520-N523 PolarHBondContact O-N 3.12Å; F520-N523 VanDerWaalsContact O-N 3.13Å; F520-M524 HydrophobicContact CD1-CE 4.24Å; F520-M524 HydrophobicContact CD1-CG 4.08Å; F520-M524 HydrophobicContact CD1-SD 4.1Å; F520-M524 HydrophobicContact CE1-CE 4.47Å; F520-M524 HydrophobicContact CE1-CG 4.09Å; F520-M524 HydrophobicContact CE1-SD 3.84Å; F520-M524 PolarHBondContact O-N 2.81Å; F520-I685 HydrophobicContact CD1-CB 4.45Å; F520-I685 HydrophobicContact CD1-CG1 4.04Å; F520-I685 HydrophobicContact CD1-CG2 3.98Å; F520-I685 HydrophobicContact CE1-CB 4.36Å; F520-I685 HydrophobicContact CE1-CG1 4.39Å; F520-I685 HydrophobicContact CE1-CG2 3.86Å; F520-I685 HydrophobicContact CZ-CG2 4.43Å; F520-R688 HydrophobicContact CE1-CG 4.16Å; F520-R688 HydrophobicContact CZ-CG 3.89Å
521	Y	98.6	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-43.8	176.9	-165.8	-95.3	0	0	0	111.9	I517 I518 N523 M524 L525 C655 K656 D659 M681 L690	I517-Y521 WeakPolarHBondContact O-CB 3.48Å; I517-Y521 PolarHBondContact O-N 2.86Å; I518-Y521 PolarHBondContact O-N 2.93Å; Y521-N523 VanDerWaalsContact C-N 3.27Å; Y521-N523 PolarHBondContact O-N 2.99Å; Y521-M524 HydrophobicContact CD2-CE 3.61Å; Y521-M524 HydrophobicContact CE2-CE 4.17Å; Y521-M524 HydrophobicContact CG-CE 4.41Å; Y521-M524 WeakPolarHBondContact O-CB 3.47Å; Y521-M524 PolarHBondContact O-N 2.97Å; Y521-L525 HydrophobicContact CD1-CD1 4.09Å; Y521-L525 HydrophobicContact CD1-CG 4.22Å; Y521-L525 HydrophobicContact CE1-CD1 4.05Å; Y521-L525 HydrophobicContact CE1-CD2 4.11Å; Y521-L525 HydrophobicContact CE1-CG 4.12Å; Y521-L525 PolarHBondContact O-N 3.49Å; Y521-C655 HydrophobicContact CD1-CB 3.67Å; Y521-C655 HydrophobicContact CE1-CB 3.9Å; Y521-C655 WeakPolarHBondContact CE1-O 3.4Å; Y521-C655 HydrophobicContact CG-CB 4.35Å; Y521-K656 PolarHBondContact OH-NZ 3.31Å; Y521-D659 HydrophobicContact CE1-CB 4.4Å; Y521-M681 HydrophobicContact CD1-CE 4.31Å; Y521-M681 HydrophobicContact CD2-CE 3.76Å; Y521-M681 HydrophobicContact CD2-CG 3.68Å; Y521-M681 HydrophobicContact CD2-SD 3.84Å; Y521-M681 HydrophobicContact CE1-CE 4.27Å; Y521-M681 HydrophobicContact CE2-CE 3.74Å; Y521-M681 HydrophobicContact CE2-CG 3.88Å; Y521-M681 HydrophobicContact CE2-SD 4.29Å; Y521-M681 HydrophobicContact CG-CE 4.05Å; Y521-M681 HydrophobicContact CG-SD 4.24Å; Y521-L690 HydrophobicContact CD2-CD2 4.28Å; Y521-L690 HydrophobicContact CE2-CD2 3.57Å
522	M	98.4	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-32.1	176.5	-65.4	-71.1	171.6	0	0	112.4	I518 F520 L525 M526 A539 L572 P574 L583 A658	I518-M522 HydrophobicContact CG2-CE 4.29Å; I518-M522 HydrophobicContact CG2-CG 4.25Å; I518-M522 WeakPolarHBondContact O-CB 3.35Å; I518-M522 WeakPolarHBondContact O-CG 3.27Å; I518-M522 PolarHBondContact O-N 3.3Å; F520-M522 VanDerWaalsContact C-N 3.35Å; F520-M522 PolarHBondContact O-N 2.78Å; M522-L525 PolarHBondContact O-N 2.91Å; M522-L525 HydrophobicContact SD-CD1 4.05Å; M522-M526 WeakPolarHBondContact O-CG 3.18Å; M522-M526 PolarHBondContact O-N 2.97Å; M522-M526 VanDerWaalsContact O-N 3.16Å; M522-A539 HydrophobicContact CB-CB 3.8Å; M522-L572 HydrophobicContact SD-CB 4.46Å; M522-L572 HydrophobicContact SD-CD1 3.9Å; M522-P574 HydrophobicContact CE-CG 4.25Å; M522-P574 HydrophobicContact CG-CG 4.06Å; M522-P574 HydrophobicContact SD-CG 4.38Å; M522-L583 HydrophobicContact CE-CD1 4.23Å; M522-A658 HydrophobicContact CE-CB 3.83Å; M522-A658 HydrophobicContact SD-CB 3.81Å
523	N	98.3	Very high	96.8	Very high	42 Å²	42	43.9 Å²	43.9	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-72.7	-33.3	171.3	-83.2	-93.3	0	0	0	112.9	F495 N519 F520 Y521 L525 M526 E527	F495-N523 HydrophobicContact CB-CB 4.03Å; F495-N523 HydrophobicContact CD1-CB 3.9Å; F495-N523 HydrophobicContact CD2-CB 3.44Å; F495-N523 VanDerWaalsContact CD2-CB 3.44Å; F495-N523 HydrophobicContact CE1-CB 4.24Å; F495-N523 HydrophobicContact CE2-CB 3.81Å; F495-N523 HydrophobicContact CG-CB 3.49Å; F495-N523 VanDerWaalsContact CG-CB 3.49Å; F495-N523 HydrophobicContact CZ-CB 4.21Å; N519-N523 PolarHBondContact O-N 2.85Å; N519-N523 VanDerWaalsContact O-N 3.09Å; N519-N523 PolarHBondContact O-ND2 2.84Å; F520-N523 PolarHBondContact O-N 3.12Å; F520-N523 VanDerWaalsContact O-N 3.13Å; Y521-N523 VanDerWaalsContact C-N 3.27Å; Y521-N523 PolarHBondContact O-N 2.99Å; N523-L525 VanDerWaalsContact C-N 3.32Å; N523-L525 PolarHBondContact O-N 2.84Å; N523-M526 WeakPolarHBondContact O-CB 3.25Å; N523-M526 PolarHBondContact O-N 3.02Å; N523-E527 PolarHBondContact O-N 3.05Å
524	M	98.3	Very high	96.7	Very high	6 Å²	6	47 Å²	47	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-35.3	171.1	-64.5	-164.8	-63.7	0	0	112.1	F495 F520 Y521 E527 R528 E684 I685 L690	F495-M524 HydrophobicContact CE2-CG 3.88Å; F495-M524 HydrophobicContact CZ-CG 4.15Å; F520-M524 HydrophobicContact CD1-CE 4.24Å; F520-M524 HydrophobicContact CD1-CG 4.08Å; F520-M524 HydrophobicContact CD1-SD 4.1Å; F520-M524 HydrophobicContact CE1-CE 4.47Å; F520-M524 HydrophobicContact CE1-CG 4.09Å; F520-M524 HydrophobicContact CE1-SD 3.84Å; F520-M524 PolarHBondContact O-N 2.81Å; Y521-M524 HydrophobicContact CD2-CE 3.61Å; Y521-M524 HydrophobicContact CE2-CE 4.17Å; Y521-M524 HydrophobicContact CG-CE 4.41Å; Y521-M524 WeakPolarHBondContact O-CB 3.47Å; Y521-M524 PolarHBondContact O-N 2.97Å; M524-E527 WeakPolarHBondContact O-CB 3.41Å; M524-E527 PolarHBondContact O-N 3.17Å; M524-R528 PolarHBondContact O-N 2.79Å; M524-E684 HydrophobicContact CE-CB 4.31Å; M524-I685 HydrophobicContact CE-CB 4.45Å; M524-I685 HydrophobicContact CE-CG1 3.54Å; M524-L690 HydrophobicContact CB-CD1 4.07Å; M524-L690 HydrophobicContact CB-CD2 4.2Å; M524-L690 HydrophobicContact CB-CG 4.1Å; M524-L690 HydrophobicContact CE-CD2 3.86Å; M524-L690 HydrophobicContact SD-CD2 4.49Å
525	L	98.1	Very high	96.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-40.9	171.2	-62.9	176.4	0	0	0	111.6	Y521 M522 N523 R528 S529 L572 A658 D659 L690	Y521-L525 HydrophobicContact CD1-CD1 4.09Å; Y521-L525 HydrophobicContact CD1-CG 4.22Å; Y521-L525 HydrophobicContact CE1-CD1 4.05Å; Y521-L525 HydrophobicContact CE1-CD2 4.11Å; Y521-L525 HydrophobicContact CE1-CG 4.12Å; Y521-L525 PolarHBondContact O-N 3.49Å; M522-L525 PolarHBondContact O-N 2.91Å; M522-L525 HydrophobicContact SD-CD1 4.05Å; N523-L525 VanDerWaalsContact C-N 3.32Å; N523-L525 PolarHBondContact O-N 2.84Å; L525-R528 VanDerWaalsContact CD2-NH2 3.34Å; L525-S529 PolarHBondContact O-N 3.02Å; L525-L572 HydrophobicContact CD1-CD1 4.03Å; L525-A658 HydrophobicContact CD1-CB 3.49Å; L525-A658 VanDerWaalsContact CD1-CB 3.49Å; L525-D659 HydrophobicContact CD2-CB 4.1Å; L525-L690 HydrophobicContact CD2-CD1 3.79Å
526	M	97.4	Very high	96.7	Very high	39 Å²	39	45.6 Å²	45.6	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-35.8	172.1	-69	176.8	57.2	0	0	113.1	M522 N523 S529 V537 H538 A539	M522-M526 WeakPolarHBondContact O-CG 3.18Å; M522-M526 PolarHBondContact O-N 2.97Å; M522-M526 VanDerWaalsContact O-N 3.16Å; N523-M526 WeakPolarHBondContact O-CB 3.25Å; N523-M526 PolarHBondContact O-N 3.02Å; M526-S529 PolarHBondContact O-N 3.47Å; M526-S529 PolarHBondContact O-OG 2.93Å; M526-V537 HydrophobicContact CG-CG1 4.26Å; M526-H538 WeakPolarHBondContact CE-ND1 3.46Å; M526-A539 HydrophobicContact CG-CB 4Å; M526-A539 HydrophobicContact SD-CB 3.73Å; M526-A539 PolarHBondContact SD-N 3.42Å
527	E	97.3	Very high	96.7	Very high	87 Å²	87	43.1 Å²	43.1	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-54.5	174.5	-169.8	96	-79.8	0	0	110.4	F495 N523 M524 S529 K530	F495-E527 HydrophobicContact CE1-CB 4.21Å; F495-E527 VanDerWaalsContact CE1-OE2 3.27Å; F495-E527 WeakPolarHBondContact CE1-OE2 3.44Å; F495-E527 HydrophobicContact CZ-CB 4.25Å; N523-E527 PolarHBondContact O-N 3.05Å; M524-E527 WeakPolarHBondContact O-CB 3.41Å; M524-E527 PolarHBondContact O-N 3.17Å; E527-S529 VanDerWaalsContact C-N 3.26Å; E527-S529 PolarHBondContact O-N 3.06Å; E527-K530 WeakPolarHBondContact O-CB 3.25Å; E527-K530 WeakPolarHBondContact O-CD 3.46Å; E527-K530 WeakPolarHBondContact O-CG 3.34Å; E527-K530 PolarHBondContact O-N 2.93Å; E527-K530 IonicContact OE1-NZ 2.88Å; E527-K530 PolarHBondContact OE1-NZ 3.39Å
528	R	96.7	Very high	96.7	Very high	18 Å²	18	44.3 Å²	44.3	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-35.1	177.9	-176	-178	66.9	-150.9	5.8	112.9	M524 L525 K530 E531 F534 D659 T662 L690	M524-R528 PolarHBondContact O-N 2.79Å; L525-R528 VanDerWaalsContact CD2-NH2 3.34Å; R528-K530 PolarHBondContact O-N 2.98Å; R528-E531 WeakPolarHBondContact O-CB 3.42Å; R528-E531 PolarHBondContact O-N 2.88Å; R528-F534 HydrophobicContact CG-CD2 3.87Å; R528-F534 HydrophobicContact CG-CE2 3.71Å; R528-F534 HydrophobicContact CG-CZ 4.28Å; R528-D659 IonicContact CZ-OD1 3.79Å; R528-D659 IonicContact NH1-OD1 3.71Å; R528-D659 PolarHBondContact NH1-OD1 2.96Å; R528-D659 PolarHBondContact NH2-O 3.34Å; R528-D659 IonicContact NH2-OD1 2.79Å; R528-D659 PolarHBondContact NH2-OD1 2.93Å; R528-T662 PolarHBondContact NH2-OG1 3.31Å; R528-L690 HydrophobicContact CB-CD1 4.41Å; R528-L690 VanDerWaalsContact NH1-CD1 3.33Å
529	S	96.6	Very high	96.7	Very high	18 Å²	18	44.7 Å²	44.7	13%	0.126	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-5.9	179.4	78.9	0	0	0	0	115.3	L525 M526 E527 P535 V537	L525-S529 PolarHBondContact O-N 3.02Å; M526-S529 PolarHBondContact O-N 3.47Å; M526-S529 PolarHBondContact O-OG 2.93Å; E527-S529 VanDerWaalsContact C-N 3.26Å; E527-S529 PolarHBondContact O-N 3.06Å; S529-P535 WeakPolarHBondContact CB-O 3.12Å; S529-V537 PolarHBondContact OG-N 2.94Å
530	K	94.8	Very high	96.7	Very high	149 Å²	149	44.9 Å²	44.9	65%	0.648	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-15.2	173	-54.6	165.9	-165.8	170.3	0	112.6	E527 R528	E527-K530 WeakPolarHBondContact O-CB 3.25Å; E527-K530 WeakPolarHBondContact O-CD 3.46Å; E527-K530 WeakPolarHBondContact O-CG 3.34Å; E527-K530 PolarHBondContact O-N 2.93Å; E527-K530 IonicContact OE1-NZ 2.88Å; E527-K530 PolarHBondContact OE1-NZ 3.39Å; R528-K530 PolarHBondContact O-N 2.98Å
531	E	93.8	Very high	96.7	Very high	119 Å²	119	48 Å²	48	56%	0.556	25%	0.251	S	S	*	.	S	Bend	trans	-75.5	149.7	177.1	-63.2	172.3	-161.7	0	0	110.9	R528 G533 F534	R528-E531 WeakPolarHBondContact O-CB 3.42Å; R528-E531 PolarHBondContact O-N 2.88Å; E531-G533 PolarHBondContact O-N 2.81Å; E531-F534 HydrophobicContact CB-CD2 3.99Å; E531-F534 HydrophobicContact CB-CE2 4.21Å
532	K	90.1	Very high	96.6	Very high	216 Å²	216	48 Å²	48	94%	0.939	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	125.4	-176.7	-67.3	-177.5	179.4	179.5	0	110.8
533	G	90.3	Very high	96.6	Very high	81 Å²	81	53.2 Å²	53.2	84%	0.835	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.9	-15	175.5	0	0	0	0	0	114.1	E531	E531-G533 PolarHBondContact O-N 2.81Å
534	F	94.9	Very high	96.6	Very high	69 Å²	69	51.3 Å²	51.3	30%	0.303	26%	0.264	S	S	.	.	S	Bend	trans	-92.1	151.6	172.6	-61.1	-65.1	0	0	0	111.9	R528 E531 K663	R528-F534 HydrophobicContact CG-CD2 3.87Å; R528-F534 HydrophobicContact CG-CE2 3.71Å; R528-F534 HydrophobicContact CG-CZ 4.28Å; E531-F534 HydrophobicContact CB-CD2 3.99Å; E531-F534 HydrophobicContact CB-CE2 4.21Å; F534-K663 HydrophobicContact CD1-CG 4.5Å; F534-K663 HydrophobicContact CE1-CB 4.39Å; F534-K663 HydrophobicContact CE1-CG 4Å
535	P	97.1	Very high	96.6	Very high	10 Å²	10	51.1 Å²	51.1	7%	0.065	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.8	148.1	163.6	28.7	-36	0	0	0	110.6	S529 D569 I570 T662 D664	S529-P535 WeakPolarHBondContact CB-O 3.12Å; P535-D569 HydrophobicContact CB-CB 3.94Å; P535-I570 HydrophobicContact CB-CD1 3.81Å; P535-I570 HydrophobicContact CB-CG1 4.23Å; P535-I570 HydrophobicContact CG-CD1 3.6Å; P535-T662 WeakPolarHBondContact CD-O 3.26Å; P535-D664 WeakPolarHBondContact CG-OD2 3.39Å
536	S	97.6	Very high	96.5	Very high	35 Å²	35	53.9 Å²	53.9	25%	0.245	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-76.3	134.7	176.4	60.4	0	0	0	0	111.5	V568 D569 I570	S536-V568 VanDerWaalsContact OG-CA 3.27Å; S536-V568 WeakPolarHBondContact OG-CA 3.39Å; S536-D569 WeakPolarHBondContact CB-OD2 3.47Å; S536-D569 PolarHBondContact N-OD2 3.34Å; S536-D569 PolarHBondContact O-N 3.02Å; S536-D569 PolarHBondContact OG-N 3.45Å; S536-D569 PolarHBondContact OG-OD2 3.4Å; S536-I570 PolarHBondContact O-N 3.42Å
537	V	98.4	Very high	96.6	Very high	8 Å²	8	56.9 Å²	56.9	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.3	-169.5	-177.2	0	0	0	0	112	M526 S529 I570 L572 T662	M526-V537 HydrophobicContact CG-CG1 4.26Å; S529-V537 PolarHBondContact OG-N 2.94Å; V537-I570 WeakPolarHBondContact CA-O 3.42Å; V537-I570 HydrophobicContact CG2-CB 4.36Å; V537-L572 HydrophobicContact CG1-CD1 3.73Å; V537-L572 HydrophobicContact CG1-CG 3.9Å; V537-T662 HydrophobicContact CB-CG2 4.45Å; V537-T662 HydrophobicContact CG1-CG2 4.06Å; V537-T662 HydrophobicContact CG2-CG2 3.48Å; V537-T662 VanDerWaalsContact CG2-CG2 3.48Å
538	H	98.4	Very high	96.6	Very high	25 Å²	25	53.2 Å²	53.2	12%	0.116	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	158.8	-179.7	52.5	0	0	0	110.7	M526 V568 I570 L571 L572	M526-H538 WeakPolarHBondContact CE-ND1 3.46Å; H538-V568 HydrophobicContact CB-CG1 4.49Å; H538-V568 HydrophobicContact CB-CG2 4.02Å; H538-I570 PolarHBondContact N-O 2.98Å; H538-L571 HydrophobicContact CB-CD2 3.84Å; H538-L571 CarbonylContact O-C 3.56Å; H538-L571 VanDerWaalsContact O-CA 3.25Å; H538-L571 WeakPolarHBondContact O-CA 3.18Å; H538-L572 PolarHBondContact O-N 2.79Å
539	A	98.5	Very high	96.6	Very high	9 Å²	9	58.1 Å²	58.1	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.2	170.7	0	0	0	0	0	110.9	M522 M526 L572	M522-A539 HydrophobicContact CB-CB 3.8Å; M526-A539 HydrophobicContact CG-CB 4Å; M526-A539 HydrophobicContact SD-CB 3.73Å; M526-A539 PolarHBondContact SD-N 3.42Å; A539-L572 WeakPolarHBondContact CA-O 3.48Å; A539-L572 HydrophobicContact CB-CB 3.98Å; A539-L572 HydrophobicContact CB-CD1 4.37Å
540	F	98.6	Very high	96.7	Very high	11 Å²	11	62.2 Å²	62.2	5%	0.048	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.3	154.3	163.3	-67.9	-90.3	0	0	0	110	F544 T560 V565 L571 L572 V573 P574 Y613	F540-F544 HydrophobicContact CB-CB 3.79Å; F540-F544 HydrophobicContact CB-CD1 3.67Å; F540-F544 HydrophobicContact CB-CE1 4.42Å; F540-F544 HydrophobicContact CB-CG 3.78Å; F540-F544 HydrophobicContact CD1-CB 4.2Å; F540-F544 AromaticContact CD1-CD1 3.6Å; F540-F544 HydrophobicContact CD1-CD1 3.6Å; F540-F544 AromaticContact CD1-CD2 3.49Å; F540-F544 HydrophobicContact CD1-CD2 3.49Å; F540-F544 VanDerWaalsContact CD1-CD2 3.49Å; F540-F544 AromaticContact CD1-CE1 3.74Å; F540-F544 HydrophobicContact CD1-CE1 3.74Å; F540-F544 AromaticContact CD1-CE2 3.62Å; F540-F544 HydrophobicContact CD1-CE2 3.62Å; F540-F544 AromaticContact CD1-CG 3.47Å; F540-F544 HydrophobicContact CD1-CG 3.47Å; F540-F544 VanDerWaalsContact CD1-CG 3.47Å; F540-F544 AromaticContact CD1-CZ 3.75Å; F540-F544 HydrophobicContact CD1-CZ 3.75Å; F540-F544 HydrophobicContact CD2-CD1 4.2Å; F540-F544 HydrophobicContact CD2-CE1 4.12Å; F540-F544 HydrophobicContact CE1-CD1 4.25Å; F540-F544 AromaticContact CE1-CD2 3.91Å; F540-F544 HydrophobicContact CE1-CD2 3.91Å; F540-F544 AromaticContact CE1-CE1 3.92Å; F540-F544 HydrophobicContact CE1-CE1 3.92Å; F540-F544 AromaticContact CE1-CE2 3.53Å; F540-F544 HydrophobicContact CE1-CE2 3.53Å; F540-F544 HydrophobicContact CE1-CG 4.25Å; F540-F544 AromaticContact CE1-CZ 3.54Å; F540-F544 HydrophobicContact CE1-CZ 3.54Å; F540-F544 HydrophobicContact CE2-CE1 4.27Å; F540-F544 HydrophobicContact CE2-CZ 4.48Å; F540-F544 HydrophobicContact CG-CB 4.35Å; F540-F544 AromaticContact CG-CD1 3.56Å; F540-F544 HydrophobicContact CG-CD1 3.56Å; F540-F544 HydrophobicContact CG-CD2 4.28Å; F540-F544 AromaticContact CG-CE1 3.84Å; F540-F544 HydrophobicContact CG-CE1 3.84Å; F540-F544 AromaticContact CG-CG 3.8Å; F540-F544 HydrophobicContact CG-CG 3.8Å; F540-F544 HydrophobicContact CG-CZ 4.3Å; F540-F544 HydrophobicContact CZ-CE1 4.17Å; F540-F544 HydrophobicContact CZ-CE2 4.36Å; F540-F544 AromaticContact CZ-CZ 3.93Å; F540-F544 HydrophobicContact CZ-CZ 3.93Å; F540-T560 HydrophobicContact CE1-CG2 3.91Å; F540-T560 HydrophobicContact CZ-CG2 4.37Å; F540-V565 HydrophobicContact CZ-CG1 4.06Å; F540-L571 HydrophobicContact CE2-CB 4.18Å; F540-L571 HydrophobicContact CE2-CD1 4.18Å; F540-L571 HydrophobicContact CE2-CD2 4.47Å; F540-L572 PolarHBondContact N-O 2.97Å; F540-V573 HydrophobicContact CD2-CG2 3.73Å; F540-V573 HydrophobicContact CE2-CG2 4.29Å; F540-V573 HydrophobicContact CG-CG2 4.5Å; F540-P574 VanDerWaalsContact O-CD 3.27Å; F540-P574 WeakPolarHBondContact O-CD 3.49Å; F540-Y613 HydrophobicContact CE1-CE1 4.5Å; F540-Y613 AromaticContact CZ-CE1 3.82Å; F540-Y613 HydrophobicContact CZ-CE1 3.82Å; F540-Y613 AromaticContact CZ-CZ 3.95Å
541	N	97.6	Very high	96.8	Very high	65 Å²	65	57.6 Å²	57.6	35%	0.348	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-72.6	159.6	171.7	76.5	35.4	0	0	0	111.6	N519 F543 F544 W559	N519-N541 WeakPolarHBondContact OD1-CA 3.44Å; N519-N541 VanDerWaalsContact OD1-CB 3.23Å; N519-N541 WeakPolarHBondContact OD1-CB 3.42Å; N541-F543 PolarHBondContact O-N 3.48Å; N541-F543 VanDerWaalsContact O-N 3.13Å; N541-F543 WeakPolarHBondContact OD1-CB 3.48Å; N541-F543 PolarHBondContact OD1-N 2.84Å; N541-F544 VanDerWaalsContact O-CB 3.27Å; N541-F544 WeakPolarHBondContact O-CB 3.33Å; N541-F544 PolarHBondContact O-N 2.59Å; N541-F544 PolarHBondContact OD1-N 3.06Å; N541-W559 VanDerWaalsContact OD1-CZ3 3.3Å; N541-W559 WeakPolarHBondContact OD1-CZ3 3.27Å
542	T	98.1	Very high	96.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32.7	-179.5	51	0	0	0	0	114.8	D515 I518 N519 F544 P574 W581	D515-T542 HydrophobicContact CB-CG2 4.48Å; D515-T542 WeakPolarHBondContact OD1-CB 3.39Å; D515-T542 PolarHBondContact OD1-OG1 3.28Å; I518-T542 HydrophobicContact CB-CG2 4.17Å; I518-T542 HydrophobicContact CG2-CG2 3.81Å; N519-T542 PolarHBondContact ND2-OG1 2.76Å; N519-T542 PolarHBondContact OD1-N 3.35Å; T542-F544 VanDerWaalsContact C-N 3.35Å; T542-F544 PolarHBondContact O-N 3.46Å; T542-P574 HydrophobicContact CG2-CB 4.03Å; T542-W581 HydrophobicContact CG2-CH2 3.49Å; T542-W581 VanDerWaalsContact CG2-CH2 3.49Å; T542-W581 HydrophobicContact CG2-CZ3 3.49Å; T542-W581 VanDerWaalsContact CG2-CZ3 3.49Å
543	F	97.8	Very high	97.3	Very high	110 Å²	110	43.8 Å²	43.8	48%	0.482	26%	0.257	S	S	.	.	H	α-helix	trans	-77.2	-16.8	-179.5	-55.8	-77	0	0	0	114	D515 N541 K547 W559	D515-F543 HydrophobicContact CB-CE2 4.23Å; D515-F543 HydrophobicContact CB-CZ 4.03Å; D515-F543 WeakPolarHBondContact OD1-CZ 3.41Å; N541-F543 PolarHBondContact O-N 3.48Å; N541-F543 VanDerWaalsContact O-N 3.13Å; N541-F543 WeakPolarHBondContact OD1-CB 3.48Å; N541-F543 PolarHBondContact OD1-N 2.84Å; F543-K547 WeakPolarHBondContact O-CB 3.36Å; F543-K547 PolarHBondContact O-N 3.26Å; F543-W559 HydrophobicContact CB-CH2 4.16Å
544	F	98.6	Very high	97.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-54.3	-173.1	168	-103.3	0	0	0	112.7	F540 N541 T542 T546 K547 L548 V556 W559 V573 L610 Y613	F540-F544 HydrophobicContact CB-CB 3.79Å; F540-F544 HydrophobicContact CB-CD1 3.67Å; F540-F544 HydrophobicContact CB-CE1 4.42Å; F540-F544 HydrophobicContact CB-CG 3.78Å; F540-F544 HydrophobicContact CD1-CB 4.2Å; F540-F544 AromaticContact CD1-CD1 3.6Å; F540-F544 HydrophobicContact CD1-CD1 3.6Å; F540-F544 AromaticContact CD1-CD2 3.49Å; F540-F544 HydrophobicContact CD1-CD2 3.49Å; F540-F544 VanDerWaalsContact CD1-CD2 3.49Å; F540-F544 AromaticContact CD1-CE1 3.74Å; F540-F544 HydrophobicContact CD1-CE1 3.74Å; F540-F544 AromaticContact CD1-CE2 3.62Å; F540-F544 HydrophobicContact CD1-CE2 3.62Å; F540-F544 AromaticContact CD1-CG 3.47Å; F540-F544 HydrophobicContact CD1-CG 3.47Å; F540-F544 VanDerWaalsContact CD1-CG 3.47Å; F540-F544 AromaticContact CD1-CZ 3.75Å; F540-F544 HydrophobicContact CD1-CZ 3.75Å; F540-F544 HydrophobicContact CD2-CD1 4.2Å; F540-F544 HydrophobicContact CD2-CE1 4.12Å; F540-F544 HydrophobicContact CE1-CD1 4.25Å; F540-F544 AromaticContact CE1-CD2 3.91Å; F540-F544 HydrophobicContact CE1-CD2 3.91Å; F540-F544 AromaticContact CE1-CE1 3.92Å; F540-F544 HydrophobicContact CE1-CE1 3.92Å; F540-F544 AromaticContact CE1-CE2 3.53Å; F540-F544 HydrophobicContact CE1-CE2 3.53Å; F540-F544 HydrophobicContact CE1-CG 4.25Å; F540-F544 AromaticContact CE1-CZ 3.54Å; F540-F544 HydrophobicContact CE1-CZ 3.54Å; F540-F544 HydrophobicContact CE2-CE1 4.27Å; F540-F544 HydrophobicContact CE2-CZ 4.48Å; F540-F544 HydrophobicContact CG-CB 4.35Å; F540-F544 AromaticContact CG-CD1 3.56Å; F540-F544 HydrophobicContact CG-CD1 3.56Å; F540-F544 HydrophobicContact CG-CD2 4.28Å; F540-F544 AromaticContact CG-CE1 3.84Å; F540-F544 HydrophobicContact CG-CE1 3.84Å; F540-F544 AromaticContact CG-CG 3.8Å; F540-F544 HydrophobicContact CG-CG 3.8Å; F540-F544 HydrophobicContact CG-CZ 4.3Å; F540-F544 HydrophobicContact CZ-CE1 4.17Å; F540-F544 HydrophobicContact CZ-CE2 4.36Å; F540-F544 AromaticContact CZ-CZ 3.93Å; F540-F544 HydrophobicContact CZ-CZ 3.93Å; N541-F544 VanDerWaalsContact O-CB 3.27Å; N541-F544 WeakPolarHBondContact O-CB 3.33Å; N541-F544 PolarHBondContact O-N 2.59Å; N541-F544 PolarHBondContact OD1-N 3.06Å; T542-F544 VanDerWaalsContact C-N 3.35Å; T542-F544 PolarHBondContact O-N 3.46Å; F544-T546 PolarHBondContact O-N 3.29Å; F544-K547 PolarHBondContact O-N 3.32Å; F544-L548 HydrophobicContact CE1-CD2 4.12Å; F544-L548 HydrophobicContact CZ-CD2 4.03Å; F544-L548 WeakPolarHBondContact O-CB 3.17Å; F544-L548 PolarHBondContact O-N 2.74Å; F544-V556 HydrophobicContact CD2-CB 4.03Å; F544-V556 HydrophobicContact CD2-CG1 4Å; F544-V556 HydrophobicContact CE2-CB 3.84Å; F544-V556 HydrophobicContact CE2-CG1 4.22Å; F544-V556 HydrophobicContact CE2-CG2 3.91Å; F544-W559 VanDerWaalsContact CA-CZ3 3.49Å; F544-W559 HydrophobicContact CB-CE3 4.16Å; F544-W559 HydrophobicContact CB-CZ3 3.81Å; F544-W559 HydrophobicContact CD2-CE3 4.11Å; F544-W559 HydrophobicContact CD2-CZ3 4.45Å; F544-V573 HydrophobicContact CD1-CG1 4.16Å; F544-V573 HydrophobicContact CE1-CG2 4.46Å; F544-L610 HydrophobicContact CE1-CD2 4.17Å; F544-Y613 HydrophobicContact CE2-CD2 4.38Å; F544-Y613 AromaticContact CE2-CE2 3.96Å; F544-Y613 HydrophobicContact CE2-CE2 3.96Å; F544-Y613 HydrophobicContact CZ-CD1 4.13Å; F544-Y613 AromaticContact CZ-CD2 3.85Å; F544-Y613 HydrophobicContact CZ-CD2 3.85Å; F544-Y613 AromaticContact CZ-CE1 3.95Å; F544-Y613 HydrophobicContact CZ-CE1 3.95Å; F544-Y613 AromaticContact CZ-CE2 3.71Å; F544-Y613 HydrophobicContact CZ-CE2 3.71Å; F544-Y613 HydrophobicContact CZ-CG 4.11Å; F544-Y613 AromaticContact CZ-CZ 3.77Å
545	F	98.3	Very high	97.8	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-44.4	-176.1	178.6	-94.4	0	0	0	111.4	K547 L548 K549 V573 I575 A606 I609 L610	F545-K547 VanDerWaalsContact C-N 3.3Å; F545-K547 PolarHBondContact O-N 2.77Å; F545-L548 PolarHBondContact O-N 3.07Å; F545-K549 HydrophobicContact CE1-CB 4.38Å; F545-K549 HydrophobicContact CE1-CD 3.97Å; F545-K549 HydrophobicContact CZ-CD 4.35Å; F545-K549 WeakPolarHBondContact O-CB 3.31Å; F545-K549 PolarHBondContact O-N 2.91Å; F545-V573 HydrophobicContact CB-CG1 3.82Å; F545-V573 HydrophobicContact CD2-CG1 4.36Å; F545-V573 HydrophobicContact CG-CG1 4.45Å; F545-I575 HydrophobicContact CB-CG1 4.03Å; F545-I575 HydrophobicContact CD1-CB 4.29Å; F545-I575 HydrophobicContact CD1-CD1 4.18Å; F545-I575 HydrophobicContact CD1-CG1 3.92Å; F545-I575 HydrophobicContact CD1-CG2 3.68Å; F545-I575 HydrophobicContact CD2-CD1 3.94Å; F545-I575 HydrophobicContact CD2-CG1 4.13Å; F545-I575 HydrophobicContact CE1-CD1 4.25Å; F545-I575 HydrophobicContact CE1-CG1 4.44Å; F545-I575 HydrophobicContact CE1-CG2 3.86Å; F545-I575 HydrophobicContact CE2-CD1 4.03Å; F545-I575 HydrophobicContact CG-CD1 4.02Å; F545-I575 HydrophobicContact CG-CG1 3.74Å; F545-I575 HydrophobicContact CG-CG2 4.39Å; F545-I575 HydrophobicContact CZ-CD1 4.19Å; F545-A606 HydrophobicContact CE1-CB 4.47Å; F545-A606 HydrophobicContact CE2-CB 3.73Å; F545-A606 HydrophobicContact CZ-CB 3.5Å; F545-A606 VanDerWaalsContact CZ-CB 3.5Å; F545-I609 HydrophobicContact CE2-CB 4.38Å; F545-I609 HydrophobicContact CE2-CG2 4.1Å; F545-I609 HydrophobicContact CZ-CD1 4.38Å; F545-L610 HydrophobicContact CD2-CD2 4.23Å; F545-L610 HydrophobicContact CD2-CG 4.27Å; F545-L610 HydrophobicContact CE2-CG 4.32Å
546	T	96.6	Very high	97.9	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-39.6	177.8	-54.9	0	0	0	0	111.3	F544 T550	F544-T546 PolarHBondContact O-N 3.29Å; T546-T550 WeakPolarHBondContact O-CB 3.42Å; T546-T550 WeakPolarHBondContact O-CG2 3.33Å; T546-T550 PolarHBondContact O-N 3.07Å; T546-T550 VanDerWaalsContact O-N 3.07Å; T546-T550 PolarHBondContact O-OG1 2.98Å
547	K	98.1	Very high	97.9	Very high	102 Å²	102	45.4 Å²	45.4	44%	0.443	25%	0.245	S	C	.	.	H	α-helix	trans	-72.3	-37.6	176.8	-157.9	65.3	172.1	-179.7	0	113.1	F543 F544 F545 A551 A555 V556 W559	F543-K547 WeakPolarHBondContact O-CB 3.36Å; F543-K547 PolarHBondContact O-N 3.26Å; F544-K547 PolarHBondContact O-N 3.32Å; F545-K547 VanDerWaalsContact C-N 3.3Å; F545-K547 PolarHBondContact O-N 2.77Å; K547-A551 WeakPolarHBondContact O-CB 3.36Å; K547-A551 PolarHBondContact O-N 2.88Å; K547-A555 HydrophobicContact CG-CB 4.23Å; K547-V556 HydrophobicContact CB-CG1 3.97Å; K547-V556 HydrophobicContact CG-CG1 4.21Å; K547-W559 HydrophobicContact CB-CH2 4.24Å; K547-W559 HydrophobicContact CB-CZ2 4.34Å; K547-W559 HydrophobicContact CG-CZ2 4.22Å
548	L	98.4	Very high	97.8	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-46.8	172.7	171.7	63.5	0	0	0	111.4	F544 F545 G552 V556 I609 L610 Y613	F544-L548 HydrophobicContact CE1-CD2 4.12Å; F544-L548 HydrophobicContact CZ-CD2 4.03Å; F544-L548 WeakPolarHBondContact O-CB 3.17Å; F544-L548 PolarHBondContact O-N 2.74Å; F545-L548 PolarHBondContact O-N 3.07Å; L548-G552 WeakPolarHBondContact O-CA 3.37Å; L548-G552 PolarHBondContact O-N 3.12Å; L548-V556 HydrophobicContact CB-CG1 4.29Å; L548-V556 HydrophobicContact CB-CG2 4.26Å; L548-V556 HydrophobicContact CD1-CG2 3.94Å; L548-I609 HydrophobicContact CD2-CG2 3.81Å; L548-I609 HydrophobicContact CG-CG2 3.9Å; L548-L610 HydrophobicContact CD2-CD2 4.18Å; L548-Y613 HydrophobicContact CD1-CD2 4.2Å; L548-Y613 HydrophobicContact CD2-CD2 4.23Å; L548-Y613 HydrophobicContact CD2-CG 4.09Å
549	K	96.8	Very high	97.8	Very high	122 Å²	122	58.8 Å²	58.8	53%	0.53	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-38.9	179.3	-179.5	178	176.1	-176.5	0	112.8	F545 I609	F545-K549 HydrophobicContact CE1-CB 4.38Å; F545-K549 HydrophobicContact CE1-CD 3.97Å; F545-K549 HydrophobicContact CZ-CD 4.35Å; F545-K549 WeakPolarHBondContact O-CB 3.31Å; F545-K549 PolarHBondContact O-N 2.91Å; K549-I609 HydrophobicContact CG-CD1 4.19Å
550	T	97.1	Very high	97.7	Very high	103 Å²	103	58.5 Å²	58.5	63%	0.632	29%	0.291	S	S	*	.	H	α-helix	trans	-90.3	-33.7	-174.2	53.3	0	0	0	0	114.6	T546	T546-T550 WeakPolarHBondContact O-CB 3.42Å; T546-T550 WeakPolarHBondContact O-CG2 3.33Å; T546-T550 PolarHBondContact O-N 3.07Å; T546-T550 VanDerWaalsContact O-N 3.07Å; T546-T550 PolarHBondContact O-OG1 2.98Å
551	A	97.3	Very high	97.5	Very high	53 Å²	53	66.3 Å²	66.3	44%	0.438	33%	0.325	S	S	.	.	H	α-helix	trans	-123	3.3	-174.1	0	0	0	0	0	114	K547 A555	K547-A551 WeakPolarHBondContact O-CB 3.36Å; K547-A551 PolarHBondContact O-N 2.88Å; A551-A555 HydrophobicContact CB-CB 3.63Å
552	G	97.1	Very high	97.4	Very high	30 Å²	30	72.5 Å²	72.5	31%	0.309	35%	0.349	S	S	.	.			trans	70.1	177.4	176.8	0	0	0	0	0	114.8	L548 Q554 A555	L548-G552 WeakPolarHBondContact O-CA 3.37Å; L548-G552 PolarHBondContact O-N 3.12Å; G552-Q554 PolarHBondContact O-N 3.38Å; G552-Q554 VanDerWaalsContact O-N 3.13Å; G552-A555 PolarHBondContact O-N 2.79Å; G552-A555 VanDerWaalsContact O-N 3.15Å
553	Y	98.3	Very high	97.3	Very high	14 Å²	14	75 Å²	75	6%	0.055	36%	0.364	C	S	.	.	H	α-helix	trans	-52.4	-37.6	-177	179.5	-103.8	0	0	0	114.3	A555 V556 K557 Y613 Q616 E617 D620	Y553-A555 PolarHBondContact O-N 2.96Å; Y553-A555 VanDerWaalsContact O-N 3.15Å; Y553-V556 WeakPolarHBondContact O-CG2 3.11Å; Y553-V556 PolarHBondContact O-N 3.14Å; Y553-K557 HydrophobicContact CD1-CB 4.04Å; Y553-K557 HydrophobicContact CD1-CD 4.43Å; Y553-K557 HydrophobicContact CE1-CB 3.44Å; Y553-K557 VanDerWaalsContact CE1-CB 3.44Å; Y553-K557 HydrophobicContact CE1-CD 3.97Å; Y553-K557 HydrophobicContact CE1-CG 4.35Å; Y553-K557 HydrophobicContact CE2-CB 4.03Å; Y553-K557 WeakPolarHBondContact O-CB 3.43Å; Y553-K557 PolarHBondContact O-N 2.83Å; Y553-K557 WeakPolarHBondContact OH-CB 3.26Å; Y553-Y613 AromaticContact CD2-CD2 3.78Å; Y553-Y613 HydrophobicContact CD2-CD2 3.78Å; Y553-Y613 HydrophobicContact CD2-CE2 4.01Å; Y553-Y613 AromaticContact CE2-CD2 3.99Å; Y553-Y613 HydrophobicContact CE2-CD2 3.99Å; Y553-Y613 AromaticContact CE2-CE2 3.78Å; Y553-Y613 HydrophobicContact CE2-CE2 3.78Å; Y553-Q616 HydrophobicContact CD1-CB 3.97Å; Y553-Q616 HydrophobicContact CD2-CB 3.71Å; Y553-Q616 HydrophobicContact CE1-CB 4.24Å; Y553-Q616 HydrophobicContact CE2-CB 4.03Å; Y553-Q616 HydrophobicContact CG-CB 3.71Å; Y553-E617 HydrophobicContact CE2-CB 4.12Å; Y553-E617 WeakPolarHBondContact CE2-OE2 3.28Å; Y553-E617 PolarHBondContact OH-OE2 3.18Å; Y553-D620 HydrophobicContact CE1-CB 4.04Å; Y553-D620 WeakPolarHBondContact OH-CB 3.35Å
554	Q	97.9	Very high	97.2	Very high	131 Å²	131	72.6 Å²	72.6	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-62.1	-25.8	-176.1	-60.4	-61.2	-28.5	0	0	113.3	G552	G552-Q554 PolarHBondContact O-N 3.38Å; G552-Q554 VanDerWaalsContact O-N 3.13Å
555	A	97.9	Very high	97.1	Very high	39 Å²	39	72.6 Å²	72.6	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-77.7	-30.8	175.5	0	0	0	0	0	113.3	K547 A551 G552 Y553 W559	K547-A555 HydrophobicContact CG-CB 4.23Å; A551-A555 HydrophobicContact CB-CB 3.63Å; G552-A555 PolarHBondContact O-N 2.79Å; G552-A555 VanDerWaalsContact O-N 3.15Å; Y553-A555 PolarHBondContact O-N 2.96Å; Y553-A555 VanDerWaalsContact O-N 3.15Å; A555-W559 PolarHBondContact O-NE1 2.85Å
556	V	98.2	Very high	97.1	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-102.3	-19.3	-174.4	-63.7	0	0	0	0	114.5	F544 K547 L548 Y553 R558 W559 Y613	F544-V556 HydrophobicContact CD2-CB 4.03Å; F544-V556 HydrophobicContact CD2-CG1 4Å; F544-V556 HydrophobicContact CE2-CB 3.84Å; F544-V556 HydrophobicContact CE2-CG1 4.22Å; F544-V556 HydrophobicContact CE2-CG2 3.91Å; K547-V556 HydrophobicContact CB-CG1 3.97Å; K547-V556 HydrophobicContact CG-CG1 4.21Å; L548-V556 HydrophobicContact CB-CG1 4.29Å; L548-V556 HydrophobicContact CB-CG2 4.26Å; L548-V556 HydrophobicContact CD1-CG2 3.94Å; Y553-V556 WeakPolarHBondContact O-CG2 3.11Å; Y553-V556 PolarHBondContact O-N 3.14Å; V556-R558 PolarHBondContact O-N 3.32Å; V556-W559 HydrophobicContact CG1-CD2 4.48Å; V556-W559 HydrophobicContact CG1-CZ2 4.4Å; V556-W559 VanDerWaalsContact O-CB 3.29Å; V556-W559 WeakPolarHBondContact O-CB 3.27Å; V556-W559 VanDerWaalsContact O-CG 3.3Å; V556-W559 PolarHBondContact O-N 3.38Å; V556-Y613 HydrophobicContact CG2-CD2 4.49Å; V556-Y613 HydrophobicContact CG2-CE2 4.44Å
557	K	97.2	Very high	97.1	Very high	59 Å²	59	75.9 Å²	75.9	26%	0.257	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-13.4	-176	74.7	175.5	-174	178.7	0	117	Y553 K621	Y553-K557 HydrophobicContact CD1-CB 4.04Å; Y553-K557 HydrophobicContact CD1-CD 4.43Å; Y553-K557 HydrophobicContact CE1-CB 3.44Å; Y553-K557 VanDerWaalsContact CE1-CB 3.44Å; Y553-K557 HydrophobicContact CE1-CD 3.97Å; Y553-K557 HydrophobicContact CE1-CG 4.35Å; Y553-K557 HydrophobicContact CE2-CB 4.03Å; Y553-K557 WeakPolarHBondContact O-CB 3.43Å; Y553-K557 PolarHBondContact O-N 2.83Å; Y553-K557 WeakPolarHBondContact OH-CB 3.26Å; K557-K621 PolarHBondContact O-NZ 3.45Å
558	R	97.5	Very high	97.1	Very high	205 Å²	205	72.3 Å²	72.3	77%	0.774	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.9	176.3	-72.4	-175.7	173.8	179.6	0.1	113.4	V556 K561	V556-R558 PolarHBondContact O-N 3.32Å; R558-K561 WeakPolarHBondContact O-CB 3.23Å; R558-K561 PolarHBondContact O-N 3.24Å
559	W	97.7	Very high	97.1	Very high	108 Å²	108	74.4 Å²	74.4	41%	0.409	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-40.9	-172.6	-62.2	29.4	0	0	0	109.7	N541 F543 F544 K547 A555 V556 K561	N541-W559 VanDerWaalsContact OD1-CZ3 3.3Å; N541-W559 WeakPolarHBondContact OD1-CZ3 3.27Å; F543-W559 HydrophobicContact CB-CH2 4.16Å; F544-W559 VanDerWaalsContact CA-CZ3 3.49Å; F544-W559 HydrophobicContact CB-CE3 4.16Å; F544-W559 HydrophobicContact CB-CZ3 3.81Å; F544-W559 HydrophobicContact CD2-CE3 4.11Å; F544-W559 HydrophobicContact CD2-CZ3 4.45Å; K547-W559 HydrophobicContact CB-CH2 4.24Å; K547-W559 HydrophobicContact CB-CZ2 4.34Å; K547-W559 HydrophobicContact CG-CZ2 4.22Å; A555-W559 PolarHBondContact O-NE1 2.85Å; V556-W559 HydrophobicContact CG1-CD2 4.48Å; V556-W559 HydrophobicContact CG1-CZ2 4.4Å; V556-W559 VanDerWaalsContact O-CB 3.29Å; V556-W559 WeakPolarHBondContact O-CB 3.27Å; V556-W559 VanDerWaalsContact O-CG 3.3Å; V556-W559 PolarHBondContact O-N 3.38Å; W559-K561 VanDerWaalsContact C-N 3.26Å; W559-K561 PolarHBondContact O-N 3.49Å
560	T	97	Very high	97.2	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.025	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	10.9	171.5	52.2	0	0	0	0	114.8	F540 K562 V563 V565 Y613 E617 K621	F540-T560 HydrophobicContact CE1-CG2 3.91Å; F540-T560 HydrophobicContact CZ-CG2 4.37Å; T560-K562 PolarHBondContact O-N 3.38Å; T560-V563 PolarHBondContact O-N 2.84Å; T560-V565 HydrophobicContact CG2-CG1 3.56Å; T560-Y613 WeakPolarHBondContact CG2-OH 3.32Å; T560-E617 WeakPolarHBondContact CB-OE1 3.45Å; T560-E617 PolarHBondContact OG1-OE1 2.85Å; T560-E617 PolarHBondContact OG1-OE2 2.94Å; T560-K621 WeakPolarHBondContact OG1-CE 3.1Å
561	K	95.1	Very high	97.3	Very high	174 Å²	174	63.7 Å²	63.7	76%	0.757	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.8	-176	176.2	172.7	177.8	-178.1	0	114.4	R558 W559	R558-K561 WeakPolarHBondContact O-CB 3.23Å; R558-K561 PolarHBondContact O-N 3.24Å; W559-K561 VanDerWaalsContact C-N 3.26Å; W559-K561 PolarHBondContact O-N 3.49Å
562	K	94.3	Very high	97.3	Very high	196 Å²	196	61.2 Å²	61.2	85%	0.852	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	9	179.4	-61.1	-172.7	176.6	-171.7	0	114	T560	T560-K562 PolarHBondContact O-N 3.38Å
563	V	95.3	Very high	97.4	Very high	53 Å²	53	59.8 Å²	59.8	32%	0.321	28%	0.283	S	S	.	.			trans	-131.5	125.5	-173.8	-178.1	0	0	0	0	108.9	T560 V565	T560-V563 PolarHBondContact O-N 2.84Å; V563-V565 HydrophobicContact CG1-CG1 4.27Å; V563-V565 PolarHBondContact O-N 2.85Å
564	D	96.6	Very high	97.4	Very high	59 Å²	59	59.1 Å²	59.1	32%	0.316	28%	0.281	S	S	.	.			trans	-88.8	94	172	-176.9	9.9	0	0	0	109.1	F566 S567 K622	D564-F566 PolarHBondContact O-N 3.47Å; D564-F566 PolarHBondContact OD1-N 3.07Å; D564-S567 PolarHBondContact O-N 2.6Å; D564-S567 PolarHBondContact O-OG 2.98Å; D564-S567 VanDerWaalsContact O-OG 3.07Å; D564-K622 WeakPolarHBondContact OD1-CE 3.33Å; D564-K622 IonicContact OD1-NZ 3.53Å; D564-K622 PolarHBondContact OD1-NZ 3.39Å; D564-K622 IonicContact OD2-NZ 3.72Å; D564-K622 PolarHBondContact OD2-NZ 2.98Å
565	V	97.4	Very high	97.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.2	-176.7	-55.7	0	0	0	0	113.6	F540 T560 V563 L571 F588 E617	F540-V565 HydrophobicContact CZ-CG1 4.06Å; T560-V565 HydrophobicContact CG2-CG1 3.56Å; V563-V565 HydrophobicContact CG1-CG1 4.27Å; V563-V565 PolarHBondContact O-N 2.85Å; V565-L571 HydrophobicContact CB-CD1 4.19Å; V565-L571 HydrophobicContact CB-CD2 4.05Å; V565-F588 WeakPolarHBondContact O-CE2 3.35Å; V565-F588 WeakPolarHBondContact O-CZ 3.36Å; V565-E617 HydrophobicContact CG2-CG 3.7Å
566	F	97.5	Very high	97.4	Very high	47 Å²	47	53.7 Å²	53.7	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.3	174.6	-53.3	-76.3	0	0	0	113.2	D564 F588 L614 E617 K622 F626	D564-F566 PolarHBondContact O-N 3.47Å; D564-F566 PolarHBondContact OD1-N 3.07Å; F566-F588 AromaticContact CD1-CE1 3.86Å; F566-F588 HydrophobicContact CD1-CE1 3.86Å; F566-F588 AromaticContact CD1-CZ 3.93Å; F566-F588 HydrophobicContact CD1-CZ 3.93Å; F566-F588 HydrophobicContact CE1-CE1 4.23Å; F566-F588 HydrophobicContact CE1-CZ 4.34Å; F566-L614 HydrophobicContact CE1-CD2 4.08Å; F566-L614 WeakPolarHBondContact CZ-O 3.47Å; F566-E617 HydrophobicContact CE2-CB 4.25Å; F566-E617 HydrophobicContact CE2-CG 3.85Å; F566-E617 HydrophobicContact CZ-CB 4.07Å; F566-E617 HydrophobicContact CZ-CG 4.1Å; F566-K622 HydrophobicContact CD2-CG 3.97Å; F566-K622 HydrophobicContact CE2-CG 4.28Å; F566-F626 HydrophobicContact CD1-CD2 4.33Å; F566-F626 AromaticContact CD1-CE2 3.85Å; F566-F626 HydrophobicContact CD1-CE2 3.85Å; F566-F626 AromaticContact CE1-CD2 3.71Å; F566-F626 HydrophobicContact CE1-CD2 3.71Å; F566-F626 AromaticContact CE1-CE2 3.49Å; F566-F626 HydrophobicContact CE1-CE2 3.49Å; F566-F626 VanDerWaalsContact CE1-CE2 3.49Å; F566-F626 HydrophobicContact CE1-CZ 4.36Å; F566-F626 HydrophobicContact CZ-CD2 4.45Å
567	S	97	Very high	97.1	Very high	83 Å²	83	56.6 Å²	56.6	58%	0.58	26%	0.264	S	S	*	.	S	Bend	trans	-103.1	19.2	174.3	80.7	0	0	0	0	113.1	D564	D564-S567 PolarHBondContact O-N 2.6Å; D564-S567 PolarHBondContact O-OG 2.98Å; D564-S567 VanDerWaalsContact O-OG 3.07Å
568	V	97.8	Very high	96.8	Very high	27 Å²	27	57 Å²	57	16%	0.164	28%	0.284	C	S	.	.	S	Bend	trans	-130.9	158.4	176.3	-62.8	0	0	0	0	110.7	S536 H538 L571 F588	S536-V568 VanDerWaalsContact OG-CA 3.27Å; S536-V568 WeakPolarHBondContact OG-CA 3.39Å; H538-V568 HydrophobicContact CB-CG1 4.49Å; H538-V568 HydrophobicContact CB-CG2 4.02Å; V568-L571 HydrophobicContact CG2-CD2 3.47Å; V568-L571 VanDerWaalsContact CG2-CD2 3.47Å; V568-F588 WeakPolarHBondContact O-CD2 3.14Å
569	D	98.1	Very high	96.5	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	27%	0.273	S	S	.	.	S	Bend	trans	-79	-38.9	-178.7	-62.8	-74.5	0	0	0	112.6	P535 S536 F588 R589	P535-D569 HydrophobicContact CB-CB 3.94Å; S536-D569 WeakPolarHBondContact CB-OD2 3.47Å; S536-D569 PolarHBondContact N-OD2 3.34Å; S536-D569 PolarHBondContact O-N 3.02Å; S536-D569 PolarHBondContact OG-N 3.45Å; S536-D569 PolarHBondContact OG-OD2 3.4Å; D569-F588 PolarHBondContact O-N 3.29Å; D569-R589 HydrophobicContact CB-CG 4.03Å; D569-R589 WeakPolarHBondContact OD1-CD 3.46Å; D569-R589 WeakPolarHBondContact OD1-CG 3.4Å
570	I	98.6	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.3	-171.2	-58.8	178.9	0	0	0	110.7	P535 S536 V537 H538 L572 V585 I586	P535-I570 HydrophobicContact CB-CD1 3.81Å; P535-I570 HydrophobicContact CB-CG1 4.23Å; P535-I570 HydrophobicContact CG-CD1 3.6Å; S536-I570 PolarHBondContact O-N 3.42Å; V537-I570 WeakPolarHBondContact CA-O 3.42Å; V537-I570 HydrophobicContact CG2-CB 4.36Å; H538-I570 PolarHBondContact N-O 2.98Å; I570-L572 HydrophobicContact CG2-CD2 4.13Å; I570-L572 HydrophobicContact CG2-CG 4.43Å; I570-V585 HydrophobicContact CG2-CG1 3.61Å; I570-I586 CarbonylContact C-O 3.59Å; I570-I586 WeakPolarHBondContact CA-O 3.36Å
571	L	98.8	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.7	163.2	-46.8	173	0	0	0	110.4	H538 F540 V565 V568 V585 I586 F588 L614	H538-L571 HydrophobicContact CB-CD2 3.84Å; H538-L571 CarbonylContact O-C 3.56Å; H538-L571 VanDerWaalsContact O-CA 3.25Å; H538-L571 WeakPolarHBondContact O-CA 3.18Å; F540-L571 HydrophobicContact CE2-CB 4.18Å; F540-L571 HydrophobicContact CE2-CD1 4.18Å; F540-L571 HydrophobicContact CE2-CD2 4.47Å; V565-L571 HydrophobicContact CB-CD1 4.19Å; V565-L571 HydrophobicContact CB-CD2 4.05Å; V568-L571 HydrophobicContact CG2-CD2 3.47Å; V568-L571 VanDerWaalsContact CG2-CD2 3.47Å; L571-V585 WeakPolarHBondContact O-CA 3.49Å; L571-I586 HydrophobicContact CB-CB 4Å; L571-I586 HydrophobicContact CB-CD1 4.2Å; L571-I586 HydrophobicContact CB-CG1 4.44Å; L571-I586 HydrophobicContact CD1-CB 4.34Å; L571-I586 HydrophobicContact CD1-CD1 3.85Å; L571-I586 HydrophobicContact CD1-CG2 4.4Å; L571-I586 HydrophobicContact CG-CB 4.35Å; L571-I586 PolarHBondContact N-O 2.8Å; L571-I586 PolarHBondContact O-N 3.39Å; L571-F588 HydrophobicContact CD1-CE2 3.64Å; L571-F588 HydrophobicContact CD1-CZ 3.71Å; L571-F588 HydrophobicContact CD2-CE2 4.16Å; L571-F588 HydrophobicContact CG-CE2 3.65Å; L571-F588 HydrophobicContact CG-CZ 4.25Å; L571-L614 HydrophobicContact CD1-CD2 4Å
572	L	98.9	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.8	170.6	-60.9	175.2	0	0	0	109.5	M522 L525 V537 H538 A539 F540 I570 L583 V585 A658 T662	M522-L572 HydrophobicContact SD-CB 4.46Å; M522-L572 HydrophobicContact SD-CD1 3.9Å; L525-L572 HydrophobicContact CD1-CD1 4.03Å; V537-L572 HydrophobicContact CG1-CD1 3.73Å; V537-L572 HydrophobicContact CG1-CG 3.9Å; H538-L572 PolarHBondContact O-N 2.79Å; A539-L572 WeakPolarHBondContact CA-O 3.48Å; A539-L572 HydrophobicContact CB-CB 3.98Å; A539-L572 HydrophobicContact CB-CD1 4.37Å; F540-L572 PolarHBondContact N-O 2.97Å; I570-L572 HydrophobicContact CG2-CD2 4.13Å; I570-L572 HydrophobicContact CG2-CG 4.43Å; L572-L583 HydrophobicContact CB-CD1 4.48Å; L572-L583 HydrophobicContact CD2-CD1 4.42Å; L572-V585 HydrophobicContact CD2-CG1 4.3Å; L572-V585 HydrophobicContact CD2-CG2 3.95Å; L572-A658 HydrophobicContact CD1-CB 3.96Å; L572-A658 HydrophobicContact CD2-CB 4.03Å; L572-T662 HydrophobicContact CD1-CG2 3.96Å; L572-T662 HydrophobicContact CD2-CG2 4.2Å; L572-T662 HydrophobicContact CG-CG2 4.36Å
573	V	98.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	98.5	175.8	-178.9	0	0	0	0	108.6	F540 F544 F545 I575 A584 L610	F540-V573 HydrophobicContact CD2-CG2 3.73Å; F540-V573 HydrophobicContact CE2-CG2 4.29Å; F540-V573 HydrophobicContact CG-CG2 4.5Å; F544-V573 HydrophobicContact CD1-CG1 4.16Å; F544-V573 HydrophobicContact CE1-CG2 4.46Å; F545-V573 HydrophobicContact CB-CG1 3.82Å; F545-V573 HydrophobicContact CD2-CG1 4.36Å; F545-V573 HydrophobicContact CG-CG1 4.45Å; V573-I575 HydrophobicContact CG1-CG1 4.08Å; V573-A584 HydrophobicContact CB-CB 4.28Å; V573-A584 PolarHBondContact N-O 2.85Å; V573-A584 PolarHBondContact O-N 2.89Å; V573-L610 HydrophobicContact CB-CD1 4.3Å; V573-L610 HydrophobicContact CG1-CD1 4.34Å; V573-L610 HydrophobicContact CG1-CD2 4.25Å; V573-L610 HydrophobicContact CG2-CD1 4.26Å; V573-L610 HydrophobicContact CG2-CD2 4.02Å
574	P	98.6	Very high	96.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137	165.5	-16.5	30.6	0	0	0	109.6	I518 M522 F540 T542	I518-P574 HydrophobicContact CG2-CB 4.22Å; I518-P574 HydrophobicContact CG2-CG 4.36Å; M522-P574 HydrophobicContact CE-CG 4.25Å; M522-P574 HydrophobicContact CG-CG 4.06Å; M522-P574 HydrophobicContact SD-CG 4.38Å; F540-P574 VanDerWaalsContact O-CD 3.27Å; F540-P574 WeakPolarHBondContact O-CD 3.49Å; T542-P574 HydrophobicContact CG2-CB 4.03Å
575	I	98.3	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.1	-178.3	-65.2	-177.2	0	0	0	108.2	F545 V573 L577 C582 A584 Y595 A606	F545-I575 HydrophobicContact CB-CG1 4.03Å; F545-I575 HydrophobicContact CD1-CB 4.29Å; F545-I575 HydrophobicContact CD1-CD1 4.18Å; F545-I575 HydrophobicContact CD1-CG1 3.92Å; F545-I575 HydrophobicContact CD1-CG2 3.68Å; F545-I575 HydrophobicContact CD2-CD1 3.94Å; F545-I575 HydrophobicContact CD2-CG1 4.13Å; F545-I575 HydrophobicContact CE1-CD1 4.25Å; F545-I575 HydrophobicContact CE1-CG1 4.44Å; F545-I575 HydrophobicContact CE1-CG2 3.86Å; F545-I575 HydrophobicContact CE2-CD1 4.03Å; F545-I575 HydrophobicContact CG-CD1 4.02Å; F545-I575 HydrophobicContact CG-CG1 3.74Å; F545-I575 HydrophobicContact CG-CG2 4.39Å; F545-I575 HydrophobicContact CZ-CD1 4.19Å; V573-I575 HydrophobicContact CG1-CG1 4.08Å; I575-L577 HydrophobicContact CG2-CD2 3.73Å; I575-L577 HydrophobicContact CG2-CG 3.9Å; I575-C582 HydrophobicContact CB-CB 4.29Å; I575-C582 PolarHBondContact N-O 2.92Å; I575-C582 PolarHBondContact O-N 2.85Å; I575-A584 HydrophobicContact CD1-CB 3.66Å; I575-A584 HydrophobicContact CG1-CB 4.48Å; I575-Y595 HydrophobicContact CD1-CD2 4.09Å; I575-Y595 HydrophobicContact CD1-CE2 4.06Å; I575-A606 HydrophobicContact CD1-CB 3.96Å
576	H	96.1	Very high	97.1	Very high	56 Å²	56	24.9 Å²	24.9	26%	0.259	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119	174.4	-162.1	-176.9	0	0	0	110.1	G578 W581	H576-G578 PolarHBondContact NE2-O 3.02Å; H576-W581 HydrophobicContact CB-CE3 3.99Å; H576-W581 HydrophobicContact CB-CH2 3.73Å; H576-W581 HydrophobicContact CB-CZ2 4.43Å; H576-W581 HydrophobicContact CB-CZ3 3.49Å; H576-W581 VanDerWaalsContact CB-CZ3 3.49Å; H576-W581 AromaticContact CE1-CZ2 3.91Å; H576-W581 AromaticContact CG-CH2 3.63Å; H576-W581 AromaticContact CG-CZ2 3.86Å; H576-W581 AromaticContact CG-CZ3 3.83Å; H576-W581 AromaticContact ND1-CH2 3.66Å; H576-W581 AromaticContact ND1-CZ2 3.74Å
577	L	92.6	Very high	97.1	Very high	62 Å²	62	23 Å²	23	33%	0.325	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	66.8	177.8	-59.7	-176.8	0	0	0	110.5	I575 V579 H580 Y595	I575-L577 HydrophobicContact CG2-CD2 3.73Å; I575-L577 HydrophobicContact CG2-CG 3.9Å; L577-V579 VanDerWaalsContact C-N 3.26Å; L577-V579 PolarHBondContact O-N 3.13Å; L577-H580 HydrophobicContact CB-CB 4.49Å; L577-H580 PolarHBondContact N-O 2.97Å; L577-H580 PolarHBondContact O-N 2.94Å; L577-Y595 WeakPolarHBondContact CD1-OH 3.47Å
578	G	90.8	Very high	97.2	Very high	66 Å²	66	20.9 Å²	20.9	68%	0.68	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-65.1	174.9	0	0	0	0	0	114	H576	H576-G578 PolarHBondContact NE2-O 3.02Å
579	V	90.7	Very high	97.1	Very high	89 Å²	89	24.7 Å²	24.7	54%	0.539	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-4.9	174	-61.9	0	0	0	0	112.9	W512 L577	W512-V579 HydrophobicContact CH2-CB 3.72Å; W512-V579 HydrophobicContact CH2-CG1 3.82Å; W512-V579 HydrophobicContact CH2-CG2 4.4Å; W512-V579 HydrophobicContact CZ2-CB 4.31Å; W512-V579 HydrophobicContact CZ3-CB 3.95Å; W512-V579 HydrophobicContact CZ3-CG1 3.84Å; L577-V579 VanDerWaalsContact C-N 3.26Å; L577-V579 PolarHBondContact O-N 3.13Å
580	H	95.5	Very high	97	Very high	25 Å²	25	27.3 Å²	27.3	12%	0.116	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.5	-176	-173.7	35.7	0	0	0	111.8	L577 C582 D597 C650	L577-H580 HydrophobicContact CB-CB 4.49Å; L577-H580 PolarHBondContact N-O 2.97Å; L577-H580 PolarHBondContact O-N 2.94Å; H580-C582 PolarHBondContact CD2-SG 2.94Å; H580-D597 IonicContact CD2-OD1 3.2Å; H580-D597 IonicContact CE1-OD1 2.73Å; H580-D597 IonicContact NE2-OD1 2.79Å; H580-D597 PolarHBondContact NE2-OD1 2.83Å; H580-D597 IonicContact NE2-OD2 2.78Å; H580-C650 VanDerWaalsContact CE1-CB 3.48Å; H580-C650 WeakPolarHBondContact CE1-CB 3.04Å; H580-C650 WeakPolarHBondContact ND1-CB 3.43Å
581	W	98.1	Very high	97	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.8	178.3	-75.3	111.9	0	0	0	110.9	L513 I518 T542 H576 C650	L513-W581 PolarHBondContact O-NE1 2.91Å; I518-W581 HydrophobicContact CD1-CD2 3.44Å; I518-W581 VanDerWaalsContact CD1-CD2 3.44Å; I518-W581 HydrophobicContact CD1-CE3 3.9Å; I518-W581 HydrophobicContact CD1-CG 3.82Å; I518-W581 HydrophobicContact CD1-CH2 4.2Å; I518-W581 HydrophobicContact CD1-CZ2 3.77Å; I518-W581 HydrophobicContact CD1-CZ3 4.25Å; T542-W581 HydrophobicContact CG2-CH2 3.49Å; T542-W581 VanDerWaalsContact CG2-CH2 3.49Å; T542-W581 HydrophobicContact CG2-CZ3 3.49Å; T542-W581 VanDerWaalsContact CG2-CZ3 3.49Å; H576-W581 HydrophobicContact CB-CE3 3.99Å; H576-W581 HydrophobicContact CB-CH2 3.73Å; H576-W581 HydrophobicContact CB-CZ2 4.43Å; H576-W581 HydrophobicContact CB-CZ3 3.49Å; H576-W581 VanDerWaalsContact CB-CZ3 3.49Å; H576-W581 AromaticContact CE1-CZ2 3.91Å; H576-W581 AromaticContact CG-CH2 3.63Å; H576-W581 AromaticContact CG-CZ2 3.86Å; H576-W581 AromaticContact CG-CZ3 3.83Å; H576-W581 AromaticContact ND1-CH2 3.66Å; H576-W581 AromaticContact ND1-CZ2 3.74Å; W581-C650 HydrophobicContact CB-CB 4.12Å
582	C	98.2	Very high	96.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.1	179.1	-42.8	0	0	0	0	109.5	I575 H580 Y595	I575-C582 HydrophobicContact CB-CB 4.29Å; I575-C582 PolarHBondContact N-O 2.92Å; I575-C582 PolarHBondContact O-N 2.85Å; H580-C582 PolarHBondContact CD2-SG 2.94Å; C582-Y595 HydrophobicContact CB-CE2 3.72Å; C582-Y595 WeakPolarHBondContact CB-OH 3.46Å; C582-Y595 PolarHBondContact SG-OH 3.25Å
583	L	98.8	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.9	178	179.1	72.9	0	0	0	109.9	M522 L572 V585 Y596 A654 A658 I661	M522-L583 HydrophobicContact CE-CD1 4.23Å; L572-L583 HydrophobicContact CB-CD1 4.48Å; L572-L583 HydrophobicContact CD2-CD1 4.42Å; L583-V585 HydrophobicContact CD1-CG2 4.48Å; L583-V585 HydrophobicContact CD2-CG2 3.63Å; L583-V585 HydrophobicContact CG-CG2 3.81Å; L583-Y596 PolarHBondContact N-O 2.96Å; L583-Y596 PolarHBondContact O-N 3.09Å; L583-A654 HydrophobicContact CB-CB 4.37Å; L583-A658 HydrophobicContact CD2-CB 3.84Å; L583-I661 HydrophobicContact CD2-CD1 4.43Å
584	A	98.7	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.3	159.9	0	0	0	0	0	109.9	V573 I575 T594 L610	V573-A584 HydrophobicContact CB-CB 4.28Å; V573-A584 PolarHBondContact N-O 2.85Å; V573-A584 PolarHBondContact O-N 2.89Å; I575-A584 HydrophobicContact CD1-CB 3.66Å; I575-A584 HydrophobicContact CG1-CB 4.48Å; A584-T594 WeakPolarHBondContact CA-O 3.39Å; A584-L610 HydrophobicContact CB-CD1 3.42Å; A584-L610 VanDerWaalsContact CB-CD1 3.42Å
585	V	98.8	Very high	96.9	Very high	4 Å²	4	32 Å²	32	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	177.1	-173.9	0	0	0	0	109.4	I570 L571 L572 L583 V593 T594 Y596 I661	I570-V585 HydrophobicContact CG2-CG1 3.61Å; L571-V585 WeakPolarHBondContact O-CA 3.49Å; L572-V585 HydrophobicContact CD2-CG1 4.3Å; L572-V585 HydrophobicContact CD2-CG2 3.95Å; L583-V585 HydrophobicContact CD1-CG2 4.48Å; L583-V585 HydrophobicContact CD2-CG2 3.63Å; L583-V585 HydrophobicContact CG-CG2 3.81Å; V585-V593 CarbonylContact O-C 3.55Å; V585-V593 WeakPolarHBondContact O-CA 3.35Å; V585-T594 PolarHBondContact N-O 3.41Å; V585-T594 PolarHBondContact O-N 3.46Å; V585-Y596 HydrophobicContact CB-CE2 4.15Å; V585-Y596 HydrophobicContact CG2-CD2 4.1Å; V585-Y596 HydrophobicContact CG2-CE2 3.85Å; V585-I661 HydrophobicContact CG1-CG2 4.1Å; V585-I661 HydrophobicContact CG2-CD1 4Å
586	I	98.8	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.6	170.5	-55.6	168.5	0	0	0	106.2	I570 L571 F588 S592 V593 L610 L614 W631	I570-I586 CarbonylContact C-O 3.59Å; I570-I586 WeakPolarHBondContact CA-O 3.36Å; L571-I586 HydrophobicContact CB-CB 4Å; L571-I586 HydrophobicContact CB-CD1 4.2Å; L571-I586 HydrophobicContact CB-CG1 4.44Å; L571-I586 HydrophobicContact CD1-CB 4.34Å; L571-I586 HydrophobicContact CD1-CD1 3.85Å; L571-I586 HydrophobicContact CD1-CG2 4.4Å; L571-I586 HydrophobicContact CG-CB 4.35Å; L571-I586 PolarHBondContact N-O 2.8Å; L571-I586 PolarHBondContact O-N 3.39Å; I586-F588 HydrophobicContact CG2-CE1 4.41Å; I586-F588 HydrophobicContact CG2-CE2 4.44Å; I586-F588 HydrophobicContact CG2-CZ 4.31Å; I586-S592 WeakPolarHBondContact CA-O 3.2Å; I586-V593 HydrophobicContact CG1-CG1 4.06Å; I586-V593 HydrophobicContact CG1-CG2 4.17Å; I586-V593 HydrophobicContact CG2-CG2 4.48Å; I586-L610 HydrophobicContact CD1-CB 4.3Å; I586-L614 HydrophobicContact CD1-CD1 4.26Å; I586-L614 HydrophobicContact CD1-CD2 4.23Å; I586-L614 HydrophobicContact CD1-CG 4.32Å; I586-L614 HydrophobicContact CG2-CD1 3.83Å; I586-W631 HydrophobicContact CG2-CH2 3.92Å; I586-W631 HydrophobicContact CG2-CZ3 3.9Å
587	D	98.3	Very high	97	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109	173.5	-172.6	-37.9	0	0	0	108.3	R589 K590 K591 S592	D587-R589 VanDerWaalsContact C-N 3.31Å; D587-R589 PolarHBondContact O-N 3.37Å; D587-R589 WeakPolarHBondContact OD1-CA 3.43Å; D587-R589 VanDerWaalsContact OD1-CB 3.25Å; D587-R589 WeakPolarHBondContact OD1-CB 3.37Å; D587-R589 IonicContact OD1-CZ 3.61Å; D587-R589 PolarHBondContact OD1-N 2.8Å; D587-R589 IonicContact OD1-NE 3.36Å; D587-R589 PolarHBondContact OD1-NE 2.82Å; D587-R589 VanDerWaalsContact OD1-NE 3.13Å; D587-R589 IonicContact OD1-NH2 3.2Å; D587-R589 IonicContact OD2-CZ 3.21Å; D587-R589 IonicContact OD2-NE 3.16Å; D587-R589 PolarHBondContact OD2-NE 3.33Å; D587-R589 IonicContact OD2-NH2 2.67Å; D587-R589 PolarHBondContact OD2-NH2 3.45Å; D587-K590 HydrophobicContact CB-CB 4.11Å; D587-K590 HydrophobicContact CB-CD 4.43Å; D587-K590 HydrophobicContact CB-CG 4.37Å; D587-K590 PolarHBondContact O-N 2.75Å; D587-K590 PolarHBondContact OD1-N 2.99Å; D587-K590 WeakPolarHBondContact OD2-CD 2.97Å; D587-K590 WeakPolarHBondContact OD2-CE 3.15Å; D587-K590 IonicContact OD2-NZ 2.76Å; D587-K590 PolarHBondContact OD2-NZ 2.82Å; D587-K591 WeakPolarHBondContact O-CA 3.4Å; D587-K591 PolarHBondContact O-N 3.18Å; D587-S592 PolarHBondContact N-O 2.84Å; D587-S592 PolarHBondContact O-N 2.58Å
588	F	97.9	Very high	97.1	Very high	39 Å²	39	28 Å²	28	17%	0.171	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.4	-177.9	-72.8	-75.3	0	0	0	112.5	V565 F566 V568 D569 L571 I586 K591 L614 F626 W631	V565-F588 WeakPolarHBondContact O-CE2 3.35Å; V565-F588 WeakPolarHBondContact O-CZ 3.36Å; F566-F588 AromaticContact CD1-CE1 3.86Å; F566-F588 HydrophobicContact CD1-CE1 3.86Å; F566-F588 AromaticContact CD1-CZ 3.93Å; F566-F588 HydrophobicContact CD1-CZ 3.93Å; F566-F588 HydrophobicContact CE1-CE1 4.23Å; F566-F588 HydrophobicContact CE1-CZ 4.34Å; V568-F588 WeakPolarHBondContact O-CD2 3.14Å; D569-F588 PolarHBondContact O-N 3.29Å; L571-F588 HydrophobicContact CD1-CE2 3.64Å; L571-F588 HydrophobicContact CD1-CZ 3.71Å; L571-F588 HydrophobicContact CD2-CE2 4.16Å; L571-F588 HydrophobicContact CG-CE2 3.65Å; L571-F588 HydrophobicContact CG-CZ 4.25Å; I586-F588 HydrophobicContact CG2-CE1 4.41Å; I586-F588 HydrophobicContact CG2-CE2 4.44Å; I586-F588 HydrophobicContact CG2-CZ 4.31Å; F588-K591 PolarHBondContact O-N 3.46Å; F588-L614 HydrophobicContact CE1-CD1 4.35Å; F588-L614 HydrophobicContact CE1-CD2 4.1Å; F588-L614 HydrophobicContact CZ-CD2 3.84Å; F588-F626 HydrophobicContact CD1-CZ 4.45Å; F588-F626 HydrophobicContact CE1-CE2 4.18Å; F588-F626 AromaticContact CE1-CZ 3.99Å; F588-F626 HydrophobicContact CE1-CZ 3.99Å; F588-W631 AromaticContact CD1-CH2 3.64Å; F588-W631 HydrophobicContact CD1-CH2 3.64Å; F588-W631 AromaticContact CD1-CZ2 3.78Å; F588-W631 HydrophobicContact CD1-CZ2 3.78Å; F588-W631 HydrophobicContact CE1-CH2 4.07Å; F588-W631 HydrophobicContact CE1-CZ2 4.29Å; F588-W631 HydrophobicContact CG-CH2 4.39Å
589	R	96.8	Very high	97.2	Very high	106 Å²	106	30.6 Å²	30.6	40%	0.4	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-40.7	178.8	-45.6	166.4	-67.1	172.2	1.2	110.2	D569 D587 D664	D569-R589 HydrophobicContact CB-CG 4.03Å; D569-R589 WeakPolarHBondContact OD1-CD 3.46Å; D569-R589 WeakPolarHBondContact OD1-CG 3.4Å; D587-R589 VanDerWaalsContact C-N 3.31Å; D587-R589 PolarHBondContact O-N 3.37Å; D587-R589 WeakPolarHBondContact OD1-CA 3.43Å; D587-R589 VanDerWaalsContact OD1-CB 3.25Å; D587-R589 WeakPolarHBondContact OD1-CB 3.37Å; D587-R589 IonicContact OD1-CZ 3.61Å; D587-R589 PolarHBondContact OD1-N 2.8Å; D587-R589 IonicContact OD1-NE 3.36Å; D587-R589 PolarHBondContact OD1-NE 2.82Å; D587-R589 VanDerWaalsContact OD1-NE 3.13Å; D587-R589 IonicContact OD1-NH2 3.2Å; D587-R589 IonicContact OD2-CZ 3.21Å; D587-R589 IonicContact OD2-NE 3.16Å; D587-R589 PolarHBondContact OD2-NE 3.33Å; D587-R589 IonicContact OD2-NH2 2.67Å; D587-R589 PolarHBondContact OD2-NH2 3.45Å; R589-D664 IonicContact CZ-OD1 2.99Å; R589-D664 IonicContact CZ-OD2 2.81Å; R589-D664 VanDerWaalsContact CZ-OD2 3.29Å; R589-D664 IonicContact NH1-OD1 2.69Å; R589-D664 IonicContact NH1-OD2 2.72Å; R589-D664 PolarHBondContact NH1-OD2 3.02Å; R589-D664 VanDerWaalsContact NH2-CG 3.34Å; R589-D664 IonicContact NH2-OD1 2.92Å; R589-D664 PolarHBondContact NH2-OD1 2.68Å; R589-D664 IonicContact NH2-OD2 2.67Å; R589-D664 PolarHBondContact NH2-OD2 3.11Å
590	K	96.2	Very high	97.2	Very high	110 Å²	110	27.4 Å²	27.4	48%	0.478	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.7	177.5	-57.5	-179.3	-174.9	108.1	0	113.2	D587 S592 D664	D587-K590 HydrophobicContact CB-CB 4.11Å; D587-K590 HydrophobicContact CB-CD 4.43Å; D587-K590 HydrophobicContact CB-CG 4.37Å; D587-K590 PolarHBondContact O-N 2.75Å; D587-K590 PolarHBondContact OD1-N 2.99Å; D587-K590 WeakPolarHBondContact OD2-CD 2.97Å; D587-K590 WeakPolarHBondContact OD2-CE 3.15Å; D587-K590 IonicContact OD2-NZ 2.76Å; D587-K590 PolarHBondContact OD2-NZ 2.82Å; K590-S592 VanDerWaalsContact C-N 3.26Å; K590-S592 PolarHBondContact O-N 3.31Å; K590-D664 IonicContact NZ-OD1 3.81Å; K590-D664 PolarHBondContact NZ-OD1 3.3Å
591	K	97.4	Very high	97	Very high	71 Å²	71	27.5 Å²	27.5	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	45.3	-171.2	-73.4	-171.3	160.6	-163.7	0	112.5	D587 F588 D627 N629 W631 Q632	D587-K591 WeakPolarHBondContact O-CA 3.4Å; D587-K591 PolarHBondContact O-N 3.18Å; F588-K591 PolarHBondContact O-N 3.46Å; K591-D627 IonicContact NZ-OD2 2.61Å; K591-D627 PolarHBondContact NZ-OD2 3.29Å; K591-N629 PolarHBondContact NZ-O 2.88Å; K591-W631 HydrophobicContact CB-CD2 4.01Å; K591-W631 HydrophobicContact CB-CE3 4.48Å; K591-W631 HydrophobicContact CB-CG 4.18Å; K591-W631 HydrophobicContact CB-CZ2 4.39Å; K591-W631 HydrophobicContact CG-CZ2 4.27Å; K591-W631 VanDerWaalsContact O-CA 3.26Å; K591-W631 WeakPolarHBondContact O-CA 2.82Å; K591-W631 VanDerWaalsContact O-CE3 3.32Å; K591-Q632 PolarHBondContact O-N 3.38Å
592	S	97.8	Very high	96.8	Very high	13 Å²	13	32.8 Å²	32.8	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.6	-173.7	62.4	0	0	0	0	113.3	I586 D587 K590 Q632	I586-S592 WeakPolarHBondContact CA-O 3.2Å; D587-S592 PolarHBondContact N-O 2.84Å; D587-S592 PolarHBondContact O-N 2.58Å; K590-S592 VanDerWaalsContact C-N 3.26Å; K590-S592 PolarHBondContact O-N 3.31Å; S592-Q632 WeakPolarHBondContact CA-O 3.37Å
593	V	98.5	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.2	162.8	-169.8	0	0	0	0	108.8	V585 I586 C607 L610 W631 Q632 L633 F634	V585-V593 CarbonylContact O-C 3.55Å; V585-V593 WeakPolarHBondContact O-CA 3.35Å; I586-V593 HydrophobicContact CG1-CG1 4.06Å; I586-V593 HydrophobicContact CG1-CG2 4.17Å; I586-V593 HydrophobicContact CG2-CG2 4.48Å; V593-C607 HydrophobicContact CB-CB 4.34Å; V593-C607 HydrophobicContact CG1-CB 4.06Å; V593-L610 HydrophobicContact CG1-CB 4.12Å; V593-L610 HydrophobicContact CG1-CD1 4.24Å; V593-W631 HydrophobicContact CG2-CE3 4.18Å; V593-W631 HydrophobicContact CG2-CZ3 4.04Å; V593-Q632 PolarHBondContact N-O 3.07Å; V593-L633 HydrophobicContact CB-CD2 3.67Å; V593-L633 HydrophobicContact CG2-CD2 3.76Å; V593-L633 WeakPolarHBondContact O-CA 3.06Å; V593-F634 PolarHBondContact O-N 3.04Å
594	T	98.5	Very high	96.4	Very high	12 Å²	12	37.2 Å²	37.2	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.2	-173.9	-54.5	0	0	0	0	110.4	A584 V585 Y596 F634 K636	A584-T594 WeakPolarHBondContact CA-O 3.39Å; V585-T594 PolarHBondContact N-O 3.41Å; V585-T594 PolarHBondContact O-N 3.46Å; T594-Y596 HydrophobicContact CG2-CD2 4.09Å; T594-Y596 HydrophobicContact CG2-CE1 4.46Å; T594-Y596 HydrophobicContact CG2-CE2 3.41Å; T594-Y596 VanDerWaalsContact CG2-CE2 3.41Å; T594-Y596 WeakPolarHBondContact O-CD2 3.46Å; T594-F634 CarbonylContact C-O 3.45Å; T594-F634 WeakPolarHBondContact CA-O 3.49Å; T594-F634 HydrophobicContact CG2-CB 4.17Å; T594-K636 HydrophobicContact CG2-CG 3.84Å
595	Y	98.7	Very high	96.3	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.9	174.8	177.9	-94.7	0	0	0	110.5	I575 L577 C582 D597 G601 N603 A606 F634 K636	I575-Y595 HydrophobicContact CD1-CD2 4.09Å; I575-Y595 HydrophobicContact CD1-CE2 4.06Å; L577-Y595 WeakPolarHBondContact CD1-OH 3.47Å; C582-Y595 HydrophobicContact CB-CE2 3.72Å; C582-Y595 WeakPolarHBondContact CB-OH 3.46Å; C582-Y595 PolarHBondContact SG-OH 3.25Å; Y595-D597 HydrophobicContact CD1-CB 4.25Å; Y595-D597 HydrophobicContact CE1-CB 3.56Å; Y595-D597 WeakPolarHBondContact CE1-OD2 3.29Å; Y595-D597 PolarHBondContact OH-OD2 2.92Å; Y595-G601 WeakPolarHBondContact CE1-O 3.3Å; Y595-N603 HydrophobicContact CD1-CB 3.7Å; Y595-N603 HydrophobicContact CD2-CB 3.89Å; Y595-N603 HydrophobicContact CE1-CB 3.37Å; Y595-N603 HydrophobicContact CE2-CB 3.59Å; Y595-N603 HydrophobicContact CG-CB 3.94Å; Y595-A606 HydrophobicContact CD2-CB 4.3Å; Y595-F634 PolarHBondContact N-O 3.31Å; Y595-K636 PolarHBondContact O-N 2.98Å
596	Y	98.4	Very high	96.2	Very high	27 Å²	27	41.5 Å²	41.5	11%	0.106	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.2	-176.3	-65.3	-101.6	0	0	0	109.4	L583 V585 T594 K636 I641 Y657 I661 I667	L583-Y596 PolarHBondContact N-O 2.96Å; L583-Y596 PolarHBondContact O-N 3.09Å; V585-Y596 HydrophobicContact CB-CE2 4.15Å; V585-Y596 HydrophobicContact CG2-CD2 4.1Å; V585-Y596 HydrophobicContact CG2-CE2 3.85Å; T594-Y596 HydrophobicContact CG2-CD2 4.09Å; T594-Y596 HydrophobicContact CG2-CE1 4.46Å; T594-Y596 HydrophobicContact CG2-CE2 3.41Å; T594-Y596 VanDerWaalsContact CG2-CE2 3.41Å; T594-Y596 WeakPolarHBondContact O-CD2 3.46Å; Y596-K636 HydrophobicContact CD1-CG 4.02Å; Y596-K636 HydrophobicContact CE1-CG 3.89Å; Y596-I641 HydrophobicContact CD1-CD1 4.27Å; Y596-I641 HydrophobicContact CD1-CG2 4.04Å; Y596-I641 HydrophobicContact CE1-CG2 4.24Å; Y596-Y657 HydrophobicContact CD1-CD2 4.46Å; Y596-Y657 HydrophobicContact CD1-CG 4.41Å; Y596-Y657 HydrophobicContact CG-CD2 4.43Å; Y596-I661 HydrophobicContact CD1-CD1 4.24Å; Y596-I661 HydrophobicContact CD2-CD1 4.27Å; Y596-I661 HydrophobicContact CE1-CD1 3.67Å; Y596-I661 HydrophobicContact CE2-CD1 3.7Å; Y596-I667 HydrophobicContact CD1-CD1 4.24Å; Y596-I667 HydrophobicContact CE1-CD1 3.88Å
597	D	97.8	Very high	96.2	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.032	21%	0.208	C	C	.	.			trans	-143.6	117.1	-173.5	-162.1	-42.7	0	0	0	109.1	H580 Y595 M599 G600 G601 I641	H580-D597 IonicContact CD2-OD1 3.2Å; H580-D597 IonicContact CE1-OD1 2.73Å; H580-D597 IonicContact NE2-OD1 2.79Å; H580-D597 PolarHBondContact NE2-OD1 2.83Å; H580-D597 IonicContact NE2-OD2 2.78Å; Y595-D597 HydrophobicContact CD1-CB 4.25Å; Y595-D597 HydrophobicContact CE1-CB 3.56Å; Y595-D597 WeakPolarHBondContact CE1-OD2 3.29Å; Y595-D597 PolarHBondContact OH-OD2 2.92Å; D597-M599 PolarHBondContact O-N 2.87Å; D597-M599 PolarHBondContact OD1-N 2.59Å; D597-G600 PolarHBondContact O-N 2.66Å; D597-G600 VanDerWaalsContact O-N 3.14Å; D597-G601 WeakPolarHBondContact OD2-CA 3.49Å; D597-I641 WeakPolarHBondContact O-CD1 3.24Å
598	S	94.9	Very high	96.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.5	179.9	40.8	0	0	0	0	113.7	Q643 Q644 F653	S598-Q643 CarbonylContact O-C 3.57Å; S598-Q643 WeakPolarHBondContact O-CA 3.42Å; S598-Q643 PolarHBondContact O-OE1 2.73Å; S598-Q644 VanDerWaalsContact CB-OE1 3.31Å; S598-Q644 WeakPolarHBondContact O-CG 3.39Å; S598-Q644 PolarHBondContact O-N 2.86Å; S598-Q644 PolarHBondContact OG-OE1 2.97Å; S598-F653 WeakPolarHBondContact OG-CB 3.49Å
599	M	93.6	Very high	96.2	Very high	120 Å²	120	47.4 Å²	47.4	59%	0.591	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.9	168	-61.9	-177.1	68.1	0	0	112.5	D597 G601 Q644	D597-M599 PolarHBondContact O-N 2.87Å; D597-M599 PolarHBondContact OD1-N 2.59Å; M599-G601 PolarHBondContact O-N 3.34Å; M599-Q644 VanDerWaalsContact CG-CD 3.42Å; M599-Q644 HydrophobicContact CG-CG 3.85Å
600	G	90.4	Very high	96.3	Very high	21 Å²	21	42.3 Å²	42.3	22%	0.216	21%	0.212	C	C	.	.			trans	74.9	12	176.4	0	0	0	0	0	114.4	D597 Q643	D597-G600 PolarHBondContact O-N 2.66Å; D597-G600 VanDerWaalsContact O-N 3.14Å; G600-Q643 VanDerWaalsContact CA-OE1 3.24Å
601	G	90.2	Very high	96.4	Very high	28 Å²	28	38.2 Å²	38.2	29%	0.289	20%	0.195	S	C	.	.			trans	-59.5	139.8	177.6	0	0	0	0	0	112.8	Y595 D597 M599	Y595-G601 WeakPolarHBondContact CE1-O 3.3Å; D597-G601 WeakPolarHBondContact OD2-CA 3.49Å; M599-G601 PolarHBondContact O-N 3.34Å
602	I	93.5	Very high	96.4	Very high	118 Å²	118	38.9 Å²	38.9	61%	0.605	20%	0.199	S	C	*	.			trans	-104.1	120.5	176.4	-65.4	175.7	0	0	0	108.8
603	N	93.9	Very high	96.4	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.16	20%	0.195	C	C	.	.			trans	-134.8	56	-175.5	-160.1	-14.3	0	0	0	111.8	Y595 E605 A606 C607 S635	Y595-N603 HydrophobicContact CD1-CB 3.7Å; Y595-N603 HydrophobicContact CD2-CB 3.89Å; Y595-N603 HydrophobicContact CE1-CB 3.37Å; Y595-N603 HydrophobicContact CE2-CB 3.59Å; Y595-N603 HydrophobicContact CG-CB 3.94Å; N603-E605 PolarHBondContact O-N 3.18Å; N603-A606 HydrophobicContact CB-CB 4.3Å; N603-A606 WeakPolarHBondContact O-CB 3.46Å; N603-A606 PolarHBondContact O-N 3.12Å; N603-A606 WeakPolarHBondContact OD1-CB 3.35Å; N603-A606 PolarHBondContact OD1-N 2.88Å; N603-A606 VanDerWaalsContact OD1-N 3.09Å; N603-C607 PolarHBondContact O-N 3.28Å; N603-S635 PolarHBondContact N-OG 3.44Å
604	N	94.9	Very high	96.4	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	20%	0.195	S	C	.	.	H	α-helix	trans	-57	-22.3	175.8	-63.4	-28.6	0	0	0	112.6	C607 R608 S635	N604-C607 WeakPolarHBondContact O-CB 3.46Å; N604-C607 PolarHBondContact O-N 3.3Å; N604-R608 WeakPolarHBondContact O-CG 3.34Å; N604-R608 PolarHBondContact O-N 3.03Å; N604-R608 VanDerWaalsContact O-N 3.11Å; N604-S635 PolarHBondContact N-OG 2.75Å; N604-S635 PolarHBondContact OD1-N 2.86Å; N604-S635 PolarHBondContact OD1-OG 3.22Å
605	E	96.5	Very high	96.4	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-73.4	-37.4	176	-165	53.8	-139.8	0	0	112.6	N603 C607 R608 I609	N603-E605 PolarHBondContact O-N 3.18Å; E605-C607 PolarHBondContact O-N 3.3Å; E605-R608 PolarHBondContact O-N 3.25Å; E605-R608 VanDerWaalsContact O-N 3.15Å; E605-R608 WeakPolarHBondContact OE2-CD 3.48Å; E605-R608 IonicContact OE2-CZ 3.29Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 IonicContact OE2-NH1 3.7Å; E605-R608 PolarHBondContact OE2-NH1 2.86Å; E605-I609 HydrophobicContact CG-CD1 4.19Å; E605-I609 VanDerWaalsContact O-CG1 3.31Å; E605-I609 WeakPolarHBondContact O-CG1 3.44Å; E605-I609 PolarHBondContact O-N 3.44Å
606	A	97.4	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-40.7	169.4	0	0	0	0	0	111.6	F545 I575 Y595 N603 I609 L610	F545-A606 HydrophobicContact CE1-CB 4.47Å; F545-A606 HydrophobicContact CE2-CB 3.73Å; F545-A606 HydrophobicContact CZ-CB 3.5Å; F545-A606 VanDerWaalsContact CZ-CB 3.5Å; I575-A606 HydrophobicContact CD1-CB 3.96Å; Y595-A606 HydrophobicContact CD2-CB 4.3Å; N603-A606 HydrophobicContact CB-CB 4.3Å; N603-A606 WeakPolarHBondContact O-CB 3.46Å; N603-A606 PolarHBondContact O-N 3.12Å; N603-A606 WeakPolarHBondContact OD1-CB 3.35Å; N603-A606 PolarHBondContact OD1-N 2.88Å; N603-A606 VanDerWaalsContact OD1-N 3.09Å; A606-I609 PolarHBondContact O-N 3.18Å; A606-L610 WeakPolarHBondContact O-CB 3.41Å; A606-L610 WeakPolarHBondContact O-CG 3.45Å; A606-L610 PolarHBondContact O-N 2.86Å
607	C	98	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-40.3	175.4	-56.6	0	0	0	0	112.5	V593 N603 N604 E605 L610 L611 L633 F634	V593-C607 HydrophobicContact CB-CB 4.34Å; V593-C607 HydrophobicContact CG1-CB 4.06Å; N603-C607 PolarHBondContact O-N 3.28Å; N604-C607 WeakPolarHBondContact O-CB 3.46Å; N604-C607 PolarHBondContact O-N 3.3Å; E605-C607 PolarHBondContact O-N 3.3Å; C607-L610 PolarHBondContact O-N 3.25Å; C607-L611 PolarHBondContact O-N 3.06Å; C607-L633 HydrophobicContact CB-CB 4.01Å; C607-L633 HydrophobicContact CB-CD1 4.46Å; C607-L633 HydrophobicContact CB-CD2 4.07Å; C607-L633 HydrophobicContact CB-CG 4.4Å; C607-F634 PolarHBondContact SG-O 3.23Å; C607-F634 VanDerWaalsContact SG-O 3.37Å
608	R	98	Very high	96.4	Very high	134 Å²	134	43.1 Å²	43.1	51%	0.506	22%	0.217	S	C	.	.	H	α-helix	trans	-66.3	-45.2	175.2	-69.9	-178	-165.7	122.6	-0.6	112.4	N604 E605 L610 L611 Q612 L633	N604-R608 WeakPolarHBondContact O-CG 3.34Å; N604-R608 PolarHBondContact O-N 3.03Å; N604-R608 VanDerWaalsContact O-N 3.11Å; E605-R608 PolarHBondContact O-N 3.25Å; E605-R608 VanDerWaalsContact O-N 3.15Å; E605-R608 WeakPolarHBondContact OE2-CD 3.48Å; E605-R608 IonicContact OE2-CZ 3.29Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 IonicContact OE2-NH1 3.7Å; E605-R608 PolarHBondContact OE2-NH1 2.86Å; R608-L610 VanDerWaalsContact C-N 3.26Å; R608-L610 PolarHBondContact O-N 3.24Å; R608-L611 PolarHBondContact O-N 2.96Å; R608-Q612 WeakPolarHBondContact O-CB 3.46Å; R608-Q612 PolarHBondContact O-N 3.11Å; R608-L633 HydrophobicContact CG-CD1 3.82Å
609	I	98.4	Very high	96.5	Very high	36 Å²	36	47 Å²	47	19%	0.185	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-41.8	176.1	-70	165.6	0	0	0	110.4	F545 L548 K549 E605 A606 Q612 Y613	F545-I609 HydrophobicContact CE2-CB 4.38Å; F545-I609 HydrophobicContact CE2-CG2 4.1Å; F545-I609 HydrophobicContact CZ-CD1 4.38Å; L548-I609 HydrophobicContact CD2-CG2 3.81Å; L548-I609 HydrophobicContact CG-CG2 3.9Å; K549-I609 HydrophobicContact CG-CD1 4.19Å; E605-I609 HydrophobicContact CG-CD1 4.19Å; E605-I609 VanDerWaalsContact O-CG1 3.31Å; E605-I609 WeakPolarHBondContact O-CG1 3.44Å; E605-I609 PolarHBondContact O-N 3.44Å; A606-I609 PolarHBondContact O-N 3.18Å; I609-Q612 PolarHBondContact O-N 3.15Å; I609-Y613 WeakPolarHBondContact O-CB 3.41Å; I609-Y613 PolarHBondContact O-N 3.46Å
610	L	98.6	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-40.1	177.7	-72.8	173.8	0	0	0	113.4	F544 F545 L548 V573 A584 I586 V593 A606 C607 R608 Q612 Y613 L614	F544-L610 HydrophobicContact CE1-CD2 4.17Å; F545-L610 HydrophobicContact CD2-CD2 4.23Å; F545-L610 HydrophobicContact CD2-CG 4.27Å; F545-L610 HydrophobicContact CE2-CG 4.32Å; L548-L610 HydrophobicContact CD2-CD2 4.18Å; V573-L610 HydrophobicContact CB-CD1 4.3Å; V573-L610 HydrophobicContact CG1-CD1 4.34Å; V573-L610 HydrophobicContact CG1-CD2 4.25Å; V573-L610 HydrophobicContact CG2-CD1 4.26Å; V573-L610 HydrophobicContact CG2-CD2 4.02Å; A584-L610 HydrophobicContact CB-CD1 3.42Å; A584-L610 VanDerWaalsContact CB-CD1 3.42Å; I586-L610 HydrophobicContact CD1-CB 4.3Å; V593-L610 HydrophobicContact CG1-CB 4.12Å; V593-L610 HydrophobicContact CG1-CD1 4.24Å; A606-L610 WeakPolarHBondContact O-CB 3.41Å; A606-L610 WeakPolarHBondContact O-CG 3.45Å; A606-L610 PolarHBondContact O-N 2.86Å; C607-L610 PolarHBondContact O-N 3.25Å; R608-L610 VanDerWaalsContact C-N 3.26Å; R608-L610 PolarHBondContact O-N 3.24Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å; L610-Y613 WeakPolarHBondContact O-CB 3.27Å; L610-Y613 PolarHBondContact O-N 3.49Å; L610-L614 WeakPolarHBondContact O-CG 3.32Å; L610-L614 PolarHBondContact O-N 3.18Å
611	L	98.1	Very high	97	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-37.2	172.7	-172.2	67.5	0	0	0	111.8	C607 R608 L614 K615 F626 T628 W631 L633	C607-L611 PolarHBondContact O-N 3.06Å; R608-L611 PolarHBondContact O-N 2.96Å; L611-L614 HydrophobicContact CD1-CD1 4.41Å; L611-L614 PolarHBondContact O-N 3.28Å; L611-K615 PolarHBondContact O-N 3.42Å; L611-F626 HydrophobicContact CD1-CE1 4.32Å; L611-T628 HydrophobicContact CD1-CG2 3.74Å; L611-T628 HydrophobicContact CD2-CG2 4.14Å; L611-T628 HydrophobicContact CG-CG2 4Å; L611-W631 HydrophobicContact CD1-CB 4.27Å; L611-W631 HydrophobicContact CD1-CD2 4.06Å; L611-W631 HydrophobicContact CD1-CE3 3.97Å; L611-W631 HydrophobicContact CD1-CG 4.21Å; L611-L633 HydrophobicContact CB-CD2 4.13Å; L611-L633 HydrophobicContact CD2-CD1 4.24Å; L611-L633 HydrophobicContact CD2-CD2 4.13Å; L611-L633 HydrophobicContact CD2-CG 4.5Å
612	Q	98.2	Very high	97.3	Very high	86 Å²	86	49.8 Å²	49.8	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-36.8	175.1	-176.5	59.6	20.9	0	0	112	R608 I609 L610 K615 Q616	R608-Q612 WeakPolarHBondContact O-CB 3.46Å; R608-Q612 PolarHBondContact O-N 3.11Å; I609-Q612 PolarHBondContact O-N 3.15Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å; Q612-K615 PolarHBondContact O-N 2.98Å; Q612-Q616 WeakPolarHBondContact O-CG 3.49Å; Q612-Q616 PolarHBondContact O-N 3.35Å; Q612-Q616 VanDerWaalsContact O-N 3.13Å
613	Y	98.6	Very high	97.4	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-46.6	170.3	164.3	-96.5	0	0	0	111.6	F540 F544 L548 Y553 V556 T560 I609 L610 K615 Q616 E617	F540-Y613 HydrophobicContact CE1-CE1 4.5Å; F540-Y613 AromaticContact CZ-CE1 3.82Å; F540-Y613 HydrophobicContact CZ-CE1 3.82Å; F540-Y613 AromaticContact CZ-CZ 3.95Å; F544-Y613 HydrophobicContact CE2-CD2 4.38Å; F544-Y613 AromaticContact CE2-CE2 3.96Å; F544-Y613 HydrophobicContact CE2-CE2 3.96Å; F544-Y613 HydrophobicContact CZ-CD1 4.13Å; F544-Y613 AromaticContact CZ-CD2 3.85Å; F544-Y613 HydrophobicContact CZ-CD2 3.85Å; F544-Y613 AromaticContact CZ-CE1 3.95Å; F544-Y613 HydrophobicContact CZ-CE1 3.95Å; F544-Y613 AromaticContact CZ-CE2 3.71Å; F544-Y613 HydrophobicContact CZ-CE2 3.71Å; F544-Y613 HydrophobicContact CZ-CG 4.11Å; F544-Y613 AromaticContact CZ-CZ 3.77Å; L548-Y613 HydrophobicContact CD1-CD2 4.2Å; L548-Y613 HydrophobicContact CD2-CD2 4.23Å; L548-Y613 HydrophobicContact CD2-CG 4.09Å; Y553-Y613 AromaticContact CD2-CD2 3.78Å; Y553-Y613 HydrophobicContact CD2-CD2 3.78Å; Y553-Y613 HydrophobicContact CD2-CE2 4.01Å; Y553-Y613 AromaticContact CE2-CD2 3.99Å; Y553-Y613 HydrophobicContact CE2-CD2 3.99Å; Y553-Y613 AromaticContact CE2-CE2 3.78Å; Y553-Y613 HydrophobicContact CE2-CE2 3.78Å; V556-Y613 HydrophobicContact CG2-CD2 4.49Å; V556-Y613 HydrophobicContact CG2-CE2 4.44Å; T560-Y613 WeakPolarHBondContact CG2-OH 3.32Å; I609-Y613 WeakPolarHBondContact O-CB 3.41Å; I609-Y613 PolarHBondContact O-N 3.46Å; L610-Y613 WeakPolarHBondContact O-CB 3.27Å; L610-Y613 PolarHBondContact O-N 3.49Å; Y613-K615 VanDerWaalsContact C-N 3.31Å; Y613-K615 PolarHBondContact O-N 3.42Å; Y613-Q616 PolarHBondContact O-N 3.04Å; Y613-Q616 VanDerWaalsContact O-N 3.11Å; Y613-E617 HydrophobicContact CE1-CB 4.36Å; Y613-E617 HydrophobicContact CE1-CG 4.49Å; Y613-E617 HydrophobicContact CE2-CB 4.19Å; Y613-E617 HydrophobicContact CE2-CG 4.48Å; Y613-E617 WeakPolarHBondContact CE2-OE2 3.17Å; Y613-E617 WeakPolarHBondContact O-CB 3.39Å; Y613-E617 PolarHBondContact O-N 3.09Å; Y613-E617 WeakPolarHBondContact OH-CG 3.36Å; Y613-E617 PolarHBondContact OH-OE2 3Å
614	L	98.3	Very high	97.5	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-40.9	177.1	-66.9	175	0	0	0	112.5	F566 L571 I586 F588 L610 L611 S618 F626 W631	F566-L614 HydrophobicContact CE1-CD2 4.08Å; F566-L614 WeakPolarHBondContact CZ-O 3.47Å; L571-L614 HydrophobicContact CD1-CD2 4Å; I586-L614 HydrophobicContact CD1-CD1 4.26Å; I586-L614 HydrophobicContact CD1-CD2 4.23Å; I586-L614 HydrophobicContact CD1-CG 4.32Å; I586-L614 HydrophobicContact CG2-CD1 3.83Å; F588-L614 HydrophobicContact CE1-CD1 4.35Å; F588-L614 HydrophobicContact CE1-CD2 4.1Å; F588-L614 HydrophobicContact CZ-CD2 3.84Å; L610-L614 WeakPolarHBondContact O-CG 3.32Å; L610-L614 PolarHBondContact O-N 3.18Å; L611-L614 HydrophobicContact CD1-CD1 4.41Å; L611-L614 PolarHBondContact O-N 3.28Å; L614-S618 WeakPolarHBondContact O-CB 3.4Å; L614-S618 PolarHBondContact O-N 3.37Å; L614-F626 HydrophobicContact CB-CD1 3.99Å; L614-F626 HydrophobicContact CB-CE1 3.79Å; L614-F626 HydrophobicContact CB-CG 4.44Å; L614-F626 HydrophobicContact CB-CZ 4.08Å; L614-F626 HydrophobicContact CD1-CE1 3.89Å; L614-F626 HydrophobicContact CD1-CZ 3.93Å; L614-F626 HydrophobicContact CG-CE1 4.48Å; L614-W631 HydrophobicContact CD1-CH2 4.13Å; L614-W631 HydrophobicContact CD1-CZ3 4.18Å
615	K	98.1	Very high	97.5	Very high	73 Å²	73	65.8 Å²	65.8	32%	0.317	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-47.8	173.8	-68	178.6	-178.8	-176.3	0	111.9	L611 Q612 Y613 S618 V619 F626 T628	L611-K615 PolarHBondContact O-N 3.42Å; Q612-K615 PolarHBondContact O-N 2.98Å; Y613-K615 VanDerWaalsContact C-N 3.31Å; Y613-K615 PolarHBondContact O-N 3.42Å; K615-S618 PolarHBondContact O-N 3.48Å; K615-V619 WeakPolarHBondContact O-CG2 3.29Å; K615-V619 PolarHBondContact O-N 3.08Å; K615-F626 HydrophobicContact CB-CB 4.45Å; K615-F626 HydrophobicContact CG-CB 4.16Å; K615-F626 HydrophobicContact CG-CD1 4.41Å; K615-T628 HydrophobicContact CD-CG2 4.41Å; K615-T628 HydrophobicContact CG-CG2 4.22Å
616	Q	98.2	Very high	97.5	Very high	70 Å²	70	63 Å²	63	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-71.1	-38.2	-176.2	-69.3	169	-31.2	0	0	112.3	Y553 Q612 Y613 V619 D620	Y553-Q616 HydrophobicContact CD1-CB 3.97Å; Y553-Q616 HydrophobicContact CD2-CB 3.71Å; Y553-Q616 HydrophobicContact CE1-CB 4.24Å; Y553-Q616 HydrophobicContact CE2-CB 4.03Å; Y553-Q616 HydrophobicContact CG-CB 3.71Å; Q612-Q616 WeakPolarHBondContact O-CG 3.49Å; Q612-Q616 PolarHBondContact O-N 3.35Å; Q612-Q616 VanDerWaalsContact O-N 3.13Å; Y613-Q616 PolarHBondContact O-N 3.04Å; Y613-Q616 VanDerWaalsContact O-N 3.11Å; Q616-V619 PolarHBondContact O-N 3.26Å; Q616-D620 WeakPolarHBondContact O-CB 3.32Å; Q616-D620 PolarHBondContact O-N 2.81Å
617	E	98.3	Very high	97.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-40.1	174.6	-171.7	76.1	-162.5	0	0	111.5	Y553 T560 V565 F566 Y613 V619 D620 K621	Y553-E617 HydrophobicContact CE2-CB 4.12Å; Y553-E617 WeakPolarHBondContact CE2-OE2 3.28Å; Y553-E617 PolarHBondContact OH-OE2 3.18Å; T560-E617 WeakPolarHBondContact CB-OE1 3.45Å; T560-E617 PolarHBondContact OG1-OE1 2.85Å; T560-E617 PolarHBondContact OG1-OE2 2.94Å; V565-E617 HydrophobicContact CG2-CG 3.7Å; F566-E617 HydrophobicContact CE2-CB 4.25Å; F566-E617 HydrophobicContact CE2-CG 3.85Å; F566-E617 HydrophobicContact CZ-CB 4.07Å; F566-E617 HydrophobicContact CZ-CG 4.1Å; Y613-E617 HydrophobicContact CE1-CB 4.36Å; Y613-E617 HydrophobicContact CE1-CG 4.49Å; Y613-E617 HydrophobicContact CE2-CB 4.19Å; Y613-E617 HydrophobicContact CE2-CG 4.48Å; Y613-E617 WeakPolarHBondContact CE2-OE2 3.17Å; Y613-E617 WeakPolarHBondContact O-CB 3.39Å; Y613-E617 PolarHBondContact O-N 3.09Å; Y613-E617 WeakPolarHBondContact OH-CG 3.36Å; Y613-E617 PolarHBondContact OH-OE2 3Å; E617-V619 PolarHBondContact O-N 3.21Å; E617-D620 PolarHBondContact O-N 3.05Å; E617-K621 HydrophobicContact CG-CG 4.04Å; E617-K621 WeakPolarHBondContact O-CB 3.36Å; E617-K621 VanDerWaalsContact O-CG 3.32Å; E617-K621 WeakPolarHBondContact O-CG 3.43Å; E617-K621 PolarHBondContact O-N 2.89Å; E617-K621 WeakPolarHBondContact OE1-CE 3.24Å; E617-K621 WeakPolarHBondContact OE1-CG 3.39Å
618	S	97.8	Very high	97.2	Very high	6 Å²	6	69.7 Å²	69.7	4%	0.042	32%	0.32	C	S	.	.	I	π-helix	trans	-63.4	-41.3	175.7	-172.1	0	0	0	0	111.7	L614 K615 K622 R623 K624	L614-S618 WeakPolarHBondContact O-CB 3.4Å; L614-S618 PolarHBondContact O-N 3.37Å; K615-S618 PolarHBondContact O-N 3.48Å; S618-K622 CarbonylContact O-C 3.23Å; S618-K622 VanDerWaalsContact O-CA 3.28Å; S618-K622 WeakPolarHBondContact O-CA 3.32Å; S618-K622 VanDerWaalsContact O-CB 3.24Å; S618-K622 WeakPolarHBondContact O-CB 3.38Å; S618-K622 PolarHBondContact O-N 3.14Å; S618-R623 PolarHBondContact O-N 3.36Å; S618-R623 VanDerWaalsContact O-N 3.07Å; S618-K624 CarbonylContact C-O 3.38Å; S618-K624 VanDerWaalsContact C-O 3.23Å; S618-K624 WeakPolarHBondContact CB-O 3.48Å; S618-K624 PolarHBondContact O-N 2.95Å; S618-K624 PolarHBondContact OG-O 2.92Å
619	V	97.9	Very high	97	Very high	82 Å²	82	69.4 Å²	69.4	50%	0.497	33%	0.328	S	S	.	.	I	π-helix	trans	-67.3	-42.4	176.8	173.7	0	0	0	0	111.6	K615 Q616 E617 R623 K624	K615-V619 WeakPolarHBondContact O-CG2 3.29Å; K615-V619 PolarHBondContact O-N 3.08Å; Q616-V619 PolarHBondContact O-N 3.26Å; E617-V619 PolarHBondContact O-N 3.21Å; V619-R623 VanDerWaalsContact O-CA 3.31Å; V619-R623 WeakPolarHBondContact O-CA 3.46Å; V619-R623 PolarHBondContact O-N 3.35Å; V619-K624 PolarHBondContact N-O 3.3Å
620	D	97.2	Very high	96.7	Very high	69 Å²	69	69.8 Å²	69.8	37%	0.369	34%	0.341	S	S	.	.	I	π-helix	trans	-73	-40.1	-179.3	-168.7	98.4	0	0	0	113	Y553 Q616 E617	Y553-D620 HydrophobicContact CE1-CB 4.04Å; Y553-D620 WeakPolarHBondContact OH-CB 3.35Å; Q616-D620 WeakPolarHBondContact O-CB 3.32Å; Q616-D620 PolarHBondContact O-N 2.81Å; E617-D620 PolarHBondContact O-N 3.05Å
621	K	96.8	Very high	96.7	Very high	68 Å²	68	71.4 Å²	71.4	30%	0.296	35%	0.347	S	S	.	.	I	π-helix	trans	-93.2	-45.3	-176.4	-52.3	-47.1	174.6	-153.8	0	114.2	K557 T560 E617	K557-K621 PolarHBondContact O-NZ 3.45Å; T560-K621 WeakPolarHBondContact OG1-CE 3.1Å; E617-K621 HydrophobicContact CG-CG 4.04Å; E617-K621 WeakPolarHBondContact O-CB 3.36Å; E617-K621 VanDerWaalsContact O-CG 3.32Å; E617-K621 WeakPolarHBondContact O-CG 3.43Å; E617-K621 PolarHBondContact O-N 2.89Å; E617-K621 WeakPolarHBondContact OE1-CE 3.24Å; E617-K621 WeakPolarHBondContact OE1-CG 3.39Å
622	K	95.9	Very high	96.6	Very high	92 Å²	92	75.2 Å²	75.2	40%	0.4	36%	0.364	S	S	.	.	I	π-helix	trans	-97.6	-11.9	-173.9	-56.4	-66.8	-174	168.2	0	113.1	D564 F566 S618 K624	D564-K622 WeakPolarHBondContact OD1-CE 3.33Å; D564-K622 IonicContact OD1-NZ 3.53Å; D564-K622 PolarHBondContact OD1-NZ 3.39Å; D564-K622 IonicContact OD2-NZ 3.72Å; D564-K622 PolarHBondContact OD2-NZ 2.98Å; F566-K622 HydrophobicContact CD2-CG 3.97Å; F566-K622 HydrophobicContact CE2-CG 4.28Å; S618-K622 CarbonylContact O-C 3.23Å; S618-K622 VanDerWaalsContact O-CA 3.28Å; S618-K622 WeakPolarHBondContact O-CA 3.32Å; S618-K622 VanDerWaalsContact O-CB 3.24Å; S618-K622 WeakPolarHBondContact O-CB 3.38Å; S618-K622 PolarHBondContact O-N 3.14Å; K622-K624 HydrophobicContact CB-CB 4.35Å; K622-K624 PolarHBondContact O-N 2.98Å
623	R	95.9	Very high	96.6	Very high	230 Å²	230	73.8 Å²	73.8	87%	0.868	36%	0.359	S	S	*	.	S	Bend	trans	54.2	32	-173.1	-55.7	-179.2	-179.4	178.8	-0.3	112.6	S618 V619	S618-R623 PolarHBondContact O-N 3.36Å; S618-R623 VanDerWaalsContact O-N 3.07Å; V619-R623 VanDerWaalsContact O-CA 3.31Å; V619-R623 WeakPolarHBondContact O-CA 3.46Å; V619-R623 PolarHBondContact O-N 3.35Å
624	K	96.2	Very high	96.5	Very high	152 Å²	152	78.2 Å²	78.2	66%	0.661	38%	0.379	S	S	*	.	S	Bend	trans	-135.3	141.4	-178.2	-167.9	-168.2	172.6	-176.3	0	109.2	S618 V619 K622	S618-K624 CarbonylContact C-O 3.38Å; S618-K624 VanDerWaalsContact C-O 3.23Å; S618-K624 WeakPolarHBondContact CB-O 3.48Å; S618-K624 PolarHBondContact O-N 2.95Å; S618-K624 PolarHBondContact OG-O 2.92Å; V619-K624 PolarHBondContact N-O 3.3Å; K622-K624 HydrophobicContact CB-CB 4.35Å; K622-K624 PolarHBondContact O-N 2.98Å
625	E	95.4	Very high	96.4	Very high	167 Å²	167	78.9 Å²	78.9	78%	0.78	38%	0.384	S	S	*	.			trans	-62.9	143.4	168.8	-63.3	-175.4	-177.8	0	0	111.2
626	F	96.1	Very high	96.2	Very high	34 Å²	34	78.1 Å²	78.1	15%	0.149	38%	0.38	C	S	.	.			trans	-88.6	118.5	179.9	-170.7	-109.2	0	0	0	110.1	F566 F588 L611 L614 K615 T628 W631	F566-F626 HydrophobicContact CD1-CD2 4.33Å; F566-F626 AromaticContact CD1-CE2 3.85Å; F566-F626 HydrophobicContact CD1-CE2 3.85Å; F566-F626 AromaticContact CE1-CD2 3.71Å; F566-F626 HydrophobicContact CE1-CD2 3.71Å; F566-F626 AromaticContact CE1-CE2 3.49Å; F566-F626 HydrophobicContact CE1-CE2 3.49Å; F566-F626 VanDerWaalsContact CE1-CE2 3.49Å; F566-F626 HydrophobicContact CE1-CZ 4.36Å; F566-F626 HydrophobicContact CZ-CD2 4.45Å; F588-F626 HydrophobicContact CD1-CZ 4.45Å; F588-F626 HydrophobicContact CE1-CE2 4.18Å; F588-F626 AromaticContact CE1-CZ 3.99Å; F588-F626 HydrophobicContact CE1-CZ 3.99Å; L611-F626 HydrophobicContact CD1-CE1 4.32Å; L614-F626 HydrophobicContact CB-CD1 3.99Å; L614-F626 HydrophobicContact CB-CE1 3.79Å; L614-F626 HydrophobicContact CB-CG 4.44Å; L614-F626 HydrophobicContact CB-CZ 4.08Å; L614-F626 HydrophobicContact CD1-CE1 3.89Å; L614-F626 HydrophobicContact CD1-CZ 3.93Å; L614-F626 HydrophobicContact CG-CE1 4.48Å; K615-F626 HydrophobicContact CB-CB 4.45Å; K615-F626 HydrophobicContact CG-CB 4.16Å; K615-F626 HydrophobicContact CG-CD1 4.41Å; F626-T628 HydrophobicContact CD1-CG2 3.75Å; F626-T628 HydrophobicContact CE1-CG2 4.22Å; F626-T628 PolarHBondContact O-N 2.79Å; F626-T628 VanDerWaalsContact O-N 3.11Å; F626-W631 HydrophobicContact CE1-CD2 4.38Å; F626-W631 AromaticContact CE1-CE2 3.77Å; F626-W631 AromaticContact CE1-CZ2 3.91Å; F626-W631 HydrophobicContact CE1-CZ2 3.91Å; F626-W631 AromaticContact CE1-NE1 3.85Å; F626-W631 AromaticContact CZ-CE2 3.78Å; F626-W631 HydrophobicContact CZ-CH2 4.17Å; F626-W631 AromaticContact CZ-CZ2 3.46Å; F626-W631 HydrophobicContact CZ-CZ2 3.46Å; F626-W631 VanDerWaalsContact CZ-CZ2 3.46Å
627	D	94.3	Very high	96	Very high	92 Å²	92	80.2 Å²	80.2	49%	0.492	39%	0.388	S	S	.	.			trans	-65.8	108.2	175.2	170.7	40.5	0	0	0	110.6	K591 N629 W631	K591-D627 IonicContact NZ-OD2 2.61Å; K591-D627 PolarHBondContact NZ-OD2 3.29Å; D627-N629 WeakPolarHBondContact OD1-CB 3.4Å; D627-N629 PolarHBondContact OD1-N 2.86Å; D627-W631 VanDerWaalsContact O-CD1 3.26Å; D627-W631 PolarHBondContact O-NE1 2.73Å; D627-W631 VanDerWaalsContact O-NE1 3.12Å
628	T	94.2	Very high	95.6	Very high	49 Å²	49	83.3 Å²	83.3	30%	0.301	41%	0.41	S	S	.	.			trans	-93.4	11.1	171.5	57	0	0	0	0	114	L611 K615 F626 W631	L611-T628 HydrophobicContact CD1-CG2 3.74Å; L611-T628 HydrophobicContact CD2-CG2 4.14Å; L611-T628 HydrophobicContact CG-CG2 4Å; K615-T628 HydrophobicContact CD-CG2 4.41Å; K615-T628 HydrophobicContact CG-CG2 4.22Å; F626-T628 HydrophobicContact CD1-CG2 3.75Å; F626-T628 HydrophobicContact CE1-CG2 4.22Å; F626-T628 PolarHBondContact O-N 2.79Å; F626-T628 VanDerWaalsContact O-N 3.11Å; T628-W631 WeakPolarHBondContact O-CB 3.36Å; T628-W631 PolarHBondContact O-N 3.21Å
629	N	94.3	Very high	95.2	Very high	128 Å²	128	90 Å²	90	68%	0.684	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	135	173	-166.9	4.1	0	0	0	110.7	K591 D627 W631	K591-N629 PolarHBondContact NZ-O 2.88Å; D627-N629 WeakPolarHBondContact OD1-CB 3.4Å; D627-N629 PolarHBondContact OD1-N 2.86Å; N629-W631 PolarHBondContact O-N 2.9Å
630	G	93.2	Very high	94.9	Very high	44 Å²	44	90.3 Å²	90.3	45%	0.454	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	5.8	-173.4	0	0	0	0	0	115.3
631	W	97.4	Very high	94.8	Very high	33 Å²	33	87.4 Å²	87.4	13%	0.125	42%	0.421	C	S	.	.			trans	-78.2	133.9	177.4	-82.9	78.2	0	0	0	112.5	I586 F588 K591 V593 L611 L614 F626 D627 T628 N629	I586-W631 HydrophobicContact CG2-CH2 3.92Å; I586-W631 HydrophobicContact CG2-CZ3 3.9Å; F588-W631 AromaticContact CD1-CH2 3.64Å; F588-W631 HydrophobicContact CD1-CH2 3.64Å; F588-W631 AromaticContact CD1-CZ2 3.78Å; F588-W631 HydrophobicContact CD1-CZ2 3.78Å; F588-W631 HydrophobicContact CE1-CH2 4.07Å; F588-W631 HydrophobicContact CE1-CZ2 4.29Å; F588-W631 HydrophobicContact CG-CH2 4.39Å; K591-W631 HydrophobicContact CB-CD2 4.01Å; K591-W631 HydrophobicContact CB-CE3 4.48Å; K591-W631 HydrophobicContact CB-CG 4.18Å; K591-W631 HydrophobicContact CB-CZ2 4.39Å; K591-W631 HydrophobicContact CG-CZ2 4.27Å; K591-W631 VanDerWaalsContact O-CA 3.26Å; K591-W631 WeakPolarHBondContact O-CA 2.82Å; K591-W631 VanDerWaalsContact O-CE3 3.32Å; V593-W631 HydrophobicContact CG2-CE3 4.18Å; V593-W631 HydrophobicContact CG2-CZ3 4.04Å; L611-W631 HydrophobicContact CD1-CB 4.27Å; L611-W631 HydrophobicContact CD1-CD2 4.06Å; L611-W631 HydrophobicContact CD1-CE3 3.97Å; L611-W631 HydrophobicContact CD1-CG 4.21Å; L614-W631 HydrophobicContact CD1-CH2 4.13Å; L614-W631 HydrophobicContact CD1-CZ3 4.18Å; F626-W631 HydrophobicContact CE1-CD2 4.38Å; F626-W631 AromaticContact CE1-CE2 3.77Å; F626-W631 AromaticContact CE1-CZ2 3.91Å; F626-W631 HydrophobicContact CE1-CZ2 3.91Å; F626-W631 AromaticContact CE1-NE1 3.85Å; F626-W631 AromaticContact CZ-CE2 3.78Å; F626-W631 HydrophobicContact CZ-CH2 4.17Å; F626-W631 AromaticContact CZ-CZ2 3.46Å; F626-W631 HydrophobicContact CZ-CZ2 3.46Å; F626-W631 VanDerWaalsContact CZ-CZ2 3.46Å; D627-W631 VanDerWaalsContact O-CD1 3.26Å; D627-W631 PolarHBondContact O-NE1 2.73Å; D627-W631 VanDerWaalsContact O-NE1 3.12Å; T628-W631 WeakPolarHBondContact O-CB 3.36Å; T628-W631 PolarHBondContact O-N 3.21Å; N629-W631 PolarHBondContact O-N 2.9Å
632	Q	97.3	Very high	94.7	Very high	103 Å²	103	85.3 Å²	85.3	48%	0.481	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.1	-174.9	-57.7	179.2	6.9	0	0	110.7	K591 S592 V593 F634	K591-Q632 PolarHBondContact O-N 3.38Å; S592-Q632 WeakPolarHBondContact CA-O 3.37Å; V593-Q632 PolarHBondContact N-O 3.07Å; Q632-F634 HydrophobicContact CB-CD2 4.27Å; Q632-F634 HydrophobicContact CB-CE2 3.49Å; Q632-F634 VanDerWaalsContact CB-CE2 3.49Å; Q632-F634 HydrophobicContact CB-CZ 3.77Å; Q632-F634 HydrophobicContact CG-CE2 4.47Å; Q632-F634 HydrophobicContact CG-CZ 4.45Å
633	L	97.8	Very high	94.6	Very high	57 Å²	57	83.4 Å²	83.4	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.8	-178.7	-56.2	-177.8	0	0	0	109.2	V593 C607 R608 L611	V593-L633 HydrophobicContact CB-CD2 3.67Å; V593-L633 HydrophobicContact CG2-CD2 3.76Å; V593-L633 WeakPolarHBondContact O-CA 3.06Å; C607-L633 HydrophobicContact CB-CB 4.01Å; C607-L633 HydrophobicContact CB-CD1 4.46Å; C607-L633 HydrophobicContact CB-CD2 4.07Å; C607-L633 HydrophobicContact CB-CG 4.4Å; R608-L633 HydrophobicContact CG-CD1 3.82Å; L611-L633 HydrophobicContact CB-CD2 4.13Å; L611-L633 HydrophobicContact CD2-CD1 4.24Å; L611-L633 HydrophobicContact CD2-CD2 4.13Å; L611-L633 HydrophobicContact CD2-CG 4.5Å
634	F	95.4	Very high	94.3	Very high	93 Å²	93	73.4 Å²	73.4	41%	0.408	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.1	-174.3	-62.8	-64.7	0	0	0	111.8	V593 T594 Y595 C607 Q632	V593-F634 PolarHBondContact O-N 3.04Å; T594-F634 CarbonylContact C-O 3.45Å; T594-F634 WeakPolarHBondContact CA-O 3.49Å; T594-F634 HydrophobicContact CG2-CB 4.17Å; Y595-F634 PolarHBondContact N-O 3.31Å; C607-F634 PolarHBondContact SG-O 3.23Å; C607-F634 VanDerWaalsContact SG-O 3.37Å; Q632-F634 HydrophobicContact CB-CD2 4.27Å; Q632-F634 HydrophobicContact CB-CE2 3.49Å; Q632-F634 VanDerWaalsContact CB-CE2 3.49Å; Q632-F634 HydrophobicContact CB-CZ 3.77Å; Q632-F634 HydrophobicContact CG-CE2 4.47Å; Q632-F634 HydrophobicContact CG-CZ 4.45Å
635	S	96.8	Very high	93.9	Very high	15 Å²	15	73.5 Å²	73.5	11%	0.105	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.2	152.5	-56.8	0	0	0	0	107.4	N603 N604	N603-S635 PolarHBondContact N-OG 3.44Å; N604-S635 PolarHBondContact N-OG 2.75Å; N604-S635 PolarHBondContact OD1-N 2.86Å; N604-S635 PolarHBondContact OD1-OG 3.22Å
636	K	95.1	Very high	93.6	Very high	56 Å²	56	67.5 Å²	67.5	24%	0.243	35%	0.348	C	S	.	.			trans	-67.5	130.3	175.6	-81.4	-77.1	166	-174.8	0	110.1	T594 Y595 Y596 E640 I641	T594-K636 HydrophobicContact CG2-CG 3.84Å; Y595-K636 PolarHBondContact O-N 2.98Å; Y596-K636 HydrophobicContact CD1-CG 4.02Å; Y596-K636 HydrophobicContact CE1-CG 3.89Å; K636-E640 HydrophobicContact CD-CB 3.69Å; K636-E640 HydrophobicContact CD-CG 4.41Å; K636-E640 WeakPolarHBondContact CD-OE2 3.31Å; K636-E640 WeakPolarHBondContact CE-OE2 3.34Å; K636-E640 IonicContact NZ-OE2 2.75Å; K636-E640 PolarHBondContact NZ-OE2 3.49Å; K636-I641 HydrophobicContact CB-CD1 3.65Å; K636-I641 HydrophobicContact CB-CG1 4.04Å; K636-I641 HydrophobicContact CB-CG2 4.24Å; K636-I641 HydrophobicContact CD-CG2 4.2Å; K636-I641 HydrophobicContact CG-CG2 4.22Å
637	K	92.9	Very high	93	Very high	114 Å²	114	68.5 Å²	68.5	50%	0.496	37%	0.368	S	S	.	.			trans	-77	160.6	176	-55.9	173.9	-176.8	177.6	0	110.9	Q639 E640	K637-Q639 PolarHBondContact O-N 3.18Å; K637-Q639 VanDerWaalsContact O-N 3.16Å; K637-E640 HydrophobicContact CB-CG 4.3Å; K637-E640 WeakPolarHBondContact CB-OE1 3.35Å; K637-E640 WeakPolarHBondContact CG-OE1 3.42Å; K637-E640 PolarHBondContact N-OE1 3.47Å; K637-E640 WeakPolarHBondContact O-CB 3.41Å; K637-E640 PolarHBondContact O-N 3.44Å
638	S	89.9	Confident	92.7	Very high	65 Å²	65	64.6 Å²	64.6	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.4	-176.7	49.9	0	0	0	0	114.8	I641	S638-I641 VanDerWaalsContact O-O 3.05Å
639	Q	89.9	Confident	92.8	Very high	148 Å²	148	62.4 Å²	62.4	69%	0.692	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.4	172.8	76.3	-86.3	34.8	0	0	114.7	K637	K637-Q639 PolarHBondContact O-N 3.18Å; K637-Q639 VanDerWaalsContact O-N 3.16Å
640	E	90.6	Very high	92.9	Very high	87 Å²	87	56.4 Å²	56.4	41%	0.407	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.2	-179.2	-63	179.9	-104.6	0	0	113.5	K636 K637	K636-E640 HydrophobicContact CD-CB 3.69Å; K636-E640 HydrophobicContact CD-CG 4.41Å; K636-E640 WeakPolarHBondContact CD-OE2 3.31Å; K636-E640 WeakPolarHBondContact CE-OE2 3.34Å; K636-E640 IonicContact NZ-OE2 2.75Å; K636-E640 PolarHBondContact NZ-OE2 3.49Å; K637-E640 HydrophobicContact CB-CG 4.3Å; K637-E640 WeakPolarHBondContact CB-OE1 3.35Å; K637-E640 WeakPolarHBondContact CG-OE1 3.42Å; K637-E640 PolarHBondContact N-OE1 3.47Å; K637-E640 WeakPolarHBondContact O-CB 3.41Å; K637-E640 PolarHBondContact O-N 3.44Å
641	I	94.8	Very high	93.1	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	28%	0.281	C	S	.	.	S	Bend	trans	-145.8	144.8	-178.4	52.3	174	0	0	0	110.3	Y596 D597 K636 S638 Q643 Y657 I667	Y596-I641 HydrophobicContact CD1-CD1 4.27Å; Y596-I641 HydrophobicContact CD1-CG2 4.04Å; Y596-I641 HydrophobicContact CE1-CG2 4.24Å; D597-I641 WeakPolarHBondContact O-CD1 3.24Å; K636-I641 HydrophobicContact CB-CD1 3.65Å; K636-I641 HydrophobicContact CB-CG1 4.04Å; K636-I641 HydrophobicContact CB-CG2 4.24Å; K636-I641 HydrophobicContact CD-CG2 4.2Å; K636-I641 HydrophobicContact CG-CG2 4.22Å; S638-I641 VanDerWaalsContact O-O 3.05Å; I641-Q643 PolarHBondContact O-N 2.85Å; I641-Q643 PolarHBondContact O-NE2 3.38Å; I641-Y657 HydrophobicContact CB-CE1 4.25Å; I641-Y657 HydrophobicContact CD1-CE2 4.36Å; I641-I667 HydrophobicContact CG2-CD1 3.81Å
642	P	94.5	Very high	93.1	Very high	24 Å²	24	52.8 Å²	52.8	16%	0.156	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-60.6	133.5	-178.5	29.2	-39.6	0	0	0	111.4	F653 Y657 I667 F669	P642-F653 HydrophobicContact CB-CE1 4.11Å; P642-F653 HydrophobicContact CG-CE1 4.12Å; P642-F653 VanDerWaalsContact O-CE1 3.26Å; P642-F653 WeakPolarHBondContact O-CE1 3.48Å; P642-Y657 HydrophobicContact CG-CE1 4.03Å; P642-Y657 PolarHBondContact O-OH 3.27Å; P642-I667 VanDerWaalsContact CD-CG2 3.5Å; P642-I667 HydrophobicContact CG-CG2 3.73Å; P642-F669 WeakPolarHBondContact CB-O 3.32Å; P642-F669 HydrophobicContact CG-CD2 4.02Å; P642-F669 HydrophobicContact CG-CE2 3.77Å; P642-F669 HydrophobicContact CG-CZ 4.36Å; P642-F669 WeakPolarHBondContact CG-O 3.43Å
643	Q	94.5	Very high	93.2	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-90.1	153	-179.6	-57.5	-61	-83.8	0	0	111.6	S598 G600 I641 F653	S598-Q643 CarbonylContact O-C 3.57Å; S598-Q643 WeakPolarHBondContact O-CA 3.42Å; S598-Q643 PolarHBondContact O-OE1 2.73Å; G600-Q643 VanDerWaalsContact CA-OE1 3.24Å; I641-Q643 PolarHBondContact O-N 2.85Å; I641-Q643 PolarHBondContact O-NE2 3.38Å; Q643-F653 WeakPolarHBondContact O-CZ 3.36Å
644	Q	89.7	Confident	93.2	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.093	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-79.1	142.9	168.7	72	-168.7	74.6	0	0	110.2	S598 M599 N646 F653	S598-Q644 VanDerWaalsContact CB-OE1 3.31Å; S598-Q644 WeakPolarHBondContact O-CG 3.39Å; S598-Q644 PolarHBondContact O-N 2.86Å; S598-Q644 PolarHBondContact OG-OE1 2.97Å; M599-Q644 VanDerWaalsContact CG-CD 3.42Å; M599-Q644 HydrophobicContact CG-CG 3.85Å; Q644-N646 WeakPolarHBondContact CG-O 3.29Å; Q644-N646 PolarHBondContact NE2-O 2.83Å; Q644-F653 HydrophobicContact CB-CD2 3.88Å; Q644-F653 HydrophobicContact CB-CE2 3.47Å; Q644-F653 VanDerWaalsContact CB-CE2 3.47Å; Q644-F653 HydrophobicContact CB-CZ 4.01Å
645	M	87.9	Confident	93.4	Very high	153 Å²	153	40.9 Å²	40.9	75%	0.754	22%	0.22	S	C	*	.	S	Bend	trans	-106.4	-2.3	176.1	-53.6	-166	-59.1	0	0	112.7	Q671	M645-Q671 HydrophobicContact CB-CG 4Å; M645-Q671 HydrophobicContact CE-CB 4.16Å; M645-Q671 HydrophobicContact CE-CG 3.72Å; M645-Q671 HydrophobicContact CG-CB 4.19Å; M645-Q671 HydrophobicContact CG-CG 3.91Å
646	N	88.6	Confident	93.5	Very high	42 Å²	42	40.4 Å²	40.4	23%	0.225	22%	0.215	C	C	.	.	S	Bend	trans	-124.1	170.7	175.3	65.5	47	0	0	0	111.2	Q644 S648 D649	Q644-N646 WeakPolarHBondContact CG-O 3.29Å; Q644-N646 PolarHBondContact NE2-O 2.83Å; N646-S648 VanDerWaalsContact C-N 3.32Å; N646-S648 PolarHBondContact O-N 3.11Å; N646-S648 PolarHBondContact OD1-N 3.47Å; N646-S648 PolarHBondContact OD1-OG 3.34Å; N646-D649 PolarHBondContact ND2-OD2 2.83Å; N646-D649 PolarHBondContact OD1-N 3.34Å
647	G	83.4	Confident	93.6	Very high	55 Å²	55	37.8 Å²	37.8	57%	0.567	20%	0.204	S	C	*	.	S	Bend	trans	-84.2	9	179.3	0	0	0	0	0	115.5	W512	W512-G647 PolarHBondContact NE1-O 3.44Å
648	S	89.1	Confident	93.9	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.07	18%	0.18	C	C	.	.	S	Bend	trans	-136.4	-14	-164.5	56.8	0	0	0	0	118.3	L510 W512 N646 C650 R678	L510-S648 WeakPolarHBondContact O-CB 3.5Å; L510-S648 PolarHBondContact O-OG 3.23Å; W512-S648 VanDerWaalsContact CD1-CA 3.42Å; N646-S648 VanDerWaalsContact C-N 3.32Å; N646-S648 PolarHBondContact O-N 3.11Å; N646-S648 PolarHBondContact OD1-N 3.47Å; N646-S648 PolarHBondContact OD1-OG 3.34Å; S648-C650 VanDerWaalsContact C-N 3.3Å; S648-C650 PolarHBondContact O-N 3.11Å; S648-R678 PolarHBondContact O-NH2 2.94Å
649	D	95.2	Very high	94.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.3	176.6	-73.8	-27.9	0	0	0	114.4	N646 G651 M652 F653 Q671 M674 R678	N646-D649 PolarHBondContact ND2-OD2 2.83Å; N646-D649 PolarHBondContact OD1-N 3.34Å; D649-G651 VanDerWaalsContact C-N 3.25Å; D649-G651 PolarHBondContact O-N 3.13Å; D649-G651 VanDerWaalsContact O-N 3.12Å; D649-M652 HydrophobicContact CB-CB 4.39Å; D649-M652 CarbonylContact O-C 3.56Å; D649-M652 WeakPolarHBondContact O-CA 3.47Å; D649-M652 VanDerWaalsContact O-CB 3.29Å; D649-M652 WeakPolarHBondContact O-CB 3.29Å; D649-M652 PolarHBondContact O-N 3.15Å; D649-F653 HydrophobicContact CB-CD2 3.79Å; D649-F653 HydrophobicContact CB-CE2 3.85Å; D649-F653 WeakPolarHBondContact O-CD2 3.46Å; D649-F653 PolarHBondContact O-N 3.25Å; D649-Q671 PolarHBondContact OD2-NE2 2.84Å; D649-M674 HydrophobicContact CB-CB 4.47Å; D649-M674 HydrophobicContact CB-CG 4.14Å; D649-M674 VanDerWaalsContact OD2-CB 3.23Å; D649-M674 WeakPolarHBondContact OD2-CB 3.36Å; D649-R678 IonicContact OD1-CZ 2.73Å; D649-R678 IonicContact OD1-NE 3.22Å; D649-R678 PolarHBondContact OD1-NE 3.34Å; D649-R678 IonicContact OD1-NH2 2.66Å; D649-R678 PolarHBondContact OD1-NH2 2.96Å
650	C	96.9	Very high	94.6	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-48.6	-42.9	-179.3	53.9	0	0	0	0	113.9	H580 W581 S648 F653 A654	H580-C650 VanDerWaalsContact CE1-CB 3.48Å; H580-C650 WeakPolarHBondContact CE1-CB 3.04Å; H580-C650 WeakPolarHBondContact ND1-CB 3.43Å; W581-C650 HydrophobicContact CB-CB 4.12Å; S648-C650 VanDerWaalsContact C-N 3.3Å; S648-C650 PolarHBondContact O-N 3.11Å; C650-F653 PolarHBondContact O-N 2.89Å; C650-A654 WeakPolarHBondContact O-CB 3.27Å; C650-A654 PolarHBondContact O-N 3.04Å
651	G	97.6	Very high	95	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-38.1	174.6	0	0	0	0	0	113.2	D649 C655	D649-G651 VanDerWaalsContact C-N 3.25Å; D649-G651 PolarHBondContact O-N 3.13Å; D649-G651 VanDerWaalsContact O-N 3.12Å; G651-C655 WeakPolarHBondContact O-CB 3.31Å; G651-C655 PolarHBondContact O-N 3.45Å; G651-C655 PolarHBondContact O-SG 2.89Å; G651-C655 VanDerWaalsContact O-SG 3.34Å
652	M	98.4	Very high	95.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-46.8	174.3	-67.4	-61.8	-55.8	0	0	111.3	L507 L513 D649 A654 C655 K656 M674 F677 R678 M681	L507-M652 HydrophobicContact CD2-SD 3.6Å; L513-M652 HydrophobicContact CD1-CG 3.81Å; L513-M652 HydrophobicContact CD1-SD 3.88Å; L513-M652 HydrophobicContact CD2-CG 4.2Å; L513-M652 HydrophobicContact CD2-SD 3.64Å; L513-M652 HydrophobicContact CG-SD 4.35Å; D649-M652 HydrophobicContact CB-CB 4.39Å; D649-M652 CarbonylContact O-C 3.56Å; D649-M652 WeakPolarHBondContact O-CA 3.47Å; D649-M652 VanDerWaalsContact O-CB 3.29Å; D649-M652 WeakPolarHBondContact O-CB 3.29Å; D649-M652 PolarHBondContact O-N 3.15Å; M652-A654 PolarHBondContact O-N 2.89Å; M652-C655 PolarHBondContact O-N 3.37Å; M652-K656 WeakPolarHBondContact O-CG 3.46Å; M652-K656 PolarHBondContact O-N 2.83Å; M652-M674 HydrophobicContact CB-SD 3.63Å; M652-F677 VanDerWaalsContact CE-C 3.4Å; M652-F677 HydrophobicContact CE-CB 3.57Å; M652-F677 WeakPolarHBondContact CE-O 3.49Å; M652-R678 HydrophobicContact CE-CB 4.45Å; M652-R678 HydrophobicContact CE-CG 3.87Å; M652-R678 HydrophobicContact CG-CG 3.82Å; M652-R678 HydrophobicContact SD-CG 3.67Å; M652-M681 HydrophobicContact CE-CB 4.41Å; M652-M681 HydrophobicContact CE-CE 3.63Å; M652-M681 HydrophobicContact CE-SD 4.32Å; M652-M681 HydrophobicContact SD-CE 3.89Å; M652-M681 HydrophobicContact SD-SD 4.04Å
653	F	98.4	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.2	-48.4	175.3	-84.9	-92.4	0	0	0	111	S598 P642 Q643 Q644 D649 C650 C655 K656 Y657 F669 Q671 M674	S598-F653 WeakPolarHBondContact OG-CB 3.49Å; P642-F653 HydrophobicContact CB-CE1 4.11Å; P642-F653 HydrophobicContact CG-CE1 4.12Å; P642-F653 VanDerWaalsContact O-CE1 3.26Å; P642-F653 WeakPolarHBondContact O-CE1 3.48Å; Q643-F653 WeakPolarHBondContact O-CZ 3.36Å; Q644-F653 HydrophobicContact CB-CD2 3.88Å; Q644-F653 HydrophobicContact CB-CE2 3.47Å; Q644-F653 VanDerWaalsContact CB-CE2 3.47Å; Q644-F653 HydrophobicContact CB-CZ 4.01Å; D649-F653 HydrophobicContact CB-CD2 3.79Å; D649-F653 HydrophobicContact CB-CE2 3.85Å; D649-F653 WeakPolarHBondContact O-CD2 3.46Å; D649-F653 PolarHBondContact O-N 3.25Å; C650-F653 PolarHBondContact O-N 2.89Å; F653-C655 VanDerWaalsContact C-N 3.33Å; F653-C655 PolarHBondContact O-N 2.91Å; F653-K656 PolarHBondContact O-N 2.96Å; F653-Y657 HydrophobicContact CB-CE2 4.07Å; F653-Y657 HydrophobicContact CD1-CE1 4.14Å; F653-Y657 AromaticContact CD1-CZ 3.85Å; F653-Y657 WeakPolarHBondContact O-CB 3.14Å; F653-Y657 WeakPolarHBondContact O-CD2 3.46Å; F653-Y657 PolarHBondContact O-N 3.07Å; F653-F669 AromaticContact CD1-CE2 3.81Å; F653-F669 HydrophobicContact CD1-CE2 3.81Å; F653-F669 AromaticContact CE1-CE2 3.97Å; F653-F669 HydrophobicContact CE1-CE2 3.97Å; F653-Q671 HydrophobicContact CZ-CB 4.23Å; F653-M674 HydrophobicContact CD1-CE 3.93Å; F653-M674 HydrophobicContact CD2-CE 3.86Å; F653-M674 HydrophobicContact CD2-CG 4.39Å; F653-M674 HydrophobicContact CD2-SD 4.09Å; F653-M674 HydrophobicContact CE1-CE 3.86Å; F653-M674 HydrophobicContact CE2-CE 3.78Å; F653-M674 HydrophobicContact CE2-CG 3.84Å; F653-M674 HydrophobicContact CE2-SD 4.09Å; F653-M674 HydrophobicContact CG-CE 3.94Å; F653-M674 HydrophobicContact CZ-CE 3.79Å; F653-M674 HydrophobicContact CZ-CG 4.32Å
654	A	98.4	Very high	95.2	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-57	-43.4	176.1	0	0	0	0	0	112.7	L583 C650 M652 A658	L583-A654 HydrophobicContact CB-CB 4.37Å; C650-A654 WeakPolarHBondContact O-CB 3.27Å; C650-A654 PolarHBondContact O-N 3.04Å; M652-A654 PolarHBondContact O-N 2.89Å; A654-A658 PolarHBondContact O-N 2.93Å
655	C	98.6	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.9	-42.1	175.2	-73.7	0	0	0	0	113.3	Y521 G651 M652 F653 A658 D659 M681	Y521-C655 HydrophobicContact CD1-CB 3.67Å; Y521-C655 HydrophobicContact CE1-CB 3.9Å; Y521-C655 WeakPolarHBondContact CE1-O 3.4Å; Y521-C655 HydrophobicContact CG-CB 4.35Å; G651-C655 WeakPolarHBondContact O-CB 3.31Å; G651-C655 PolarHBondContact O-N 3.45Å; G651-C655 PolarHBondContact O-SG 2.89Å; G651-C655 VanDerWaalsContact O-SG 3.34Å; M652-C655 PolarHBondContact O-N 3.37Å; F653-C655 VanDerWaalsContact C-N 3.33Å; F653-C655 PolarHBondContact O-N 2.91Å; C655-A658 PolarHBondContact O-N 3.38Å; C655-D659 PolarHBondContact O-N 2.7Å; C655-M681 HydrophobicContact CB-CE 3.6Å
656	K	98.3	Very high	95.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-76.2	-30.3	-179.2	-63.3	-46.5	-53.5	175.8	0	113.1	Y521 M652 F653 D659 C660 F669 F677	Y521-K656 PolarHBondContact OH-NZ 3.31Å; M652-K656 WeakPolarHBondContact O-CG 3.46Å; M652-K656 PolarHBondContact O-N 2.83Å; F653-K656 PolarHBondContact O-N 2.96Å; K656-D659 IonicContact NZ-OD2 2.98Å; K656-D659 PolarHBondContact NZ-OD2 2.77Å; K656-D659 PolarHBondContact O-N 2.68Å; K656-C660 PolarHBondContact O-N 3.4Å; K656-C660 PolarHBondContact O-SG 3.38Å; K656-F669 HydrophobicContact CB-CD1 4.27Å; K656-F669 HydrophobicContact CB-CE1 3.5Å; K656-F669 HydrophobicContact CB-CE2 4.21Å; K656-F669 HydrophobicContact CB-CZ 3.47Å; K656-F669 VanDerWaalsContact CB-CZ 3.47Å; K656-F677 HydrophobicContact CD-CB 4.31Å; K656-F677 HydrophobicContact CD-CD1 4.08Å; K656-F677 HydrophobicContact CD-CD2 4.37Å; K656-F677 HydrophobicContact CD-CE1 4.49Å; K656-F677 HydrophobicContact CD-CG 4.03Å; K656-F677 HydrophobicContact CG-CB 4.33Å; K656-F677 HydrophobicContact CG-CD1 4.42Å; K656-F677 HydrophobicContact CG-CD2 3.83Å; K656-F677 HydrophobicContact CG-CE2 4.17Å; K656-F677 HydrophobicContact CG-CG 3.97Å
657	Y	98.4	Very high	96.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-50.6	166.1	-64.9	-31.7	0	0	0	110.8	Y596 I641 P642 F653 D659 C660 I661 I667 F669	Y596-Y657 HydrophobicContact CD1-CD2 4.46Å; Y596-Y657 HydrophobicContact CD1-CG 4.41Å; Y596-Y657 HydrophobicContact CG-CD2 4.43Å; I641-Y657 HydrophobicContact CB-CE1 4.25Å; I641-Y657 HydrophobicContact CD1-CE2 4.36Å; P642-Y657 HydrophobicContact CG-CE1 4.03Å; P642-Y657 PolarHBondContact O-OH 3.27Å; F653-Y657 HydrophobicContact CB-CE2 4.07Å; F653-Y657 HydrophobicContact CD1-CE1 4.14Å; F653-Y657 AromaticContact CD1-CZ 3.85Å; F653-Y657 WeakPolarHBondContact O-CB 3.14Å; F653-Y657 WeakPolarHBondContact O-CD2 3.46Å; F653-Y657 PolarHBondContact O-N 3.07Å; Y657-D659 VanDerWaalsContact C-N 3.26Å; Y657-D659 PolarHBondContact O-N 2.87Å; Y657-C660 PolarHBondContact O-N 3.27Å; Y657-I661 WeakPolarHBondContact O-CB 3.46Å; Y657-I661 VanDerWaalsContact O-CD1 3.28Å; Y657-I661 WeakPolarHBondContact O-CD1 3.49Å; Y657-I661 WeakPolarHBondContact O-CG1 3.15Å; Y657-I661 PolarHBondContact O-N 2.84Å; Y657-I667 HydrophobicContact CD1-CD1 3.82Å; Y657-I667 HydrophobicContact CD1-CG1 4.38Å; Y657-I667 HydrophobicContact CD1-CG2 4.02Å; Y657-I667 HydrophobicContact CE1-CD1 4.35Å; Y657-I667 HydrophobicContact CE1-CG2 4.08Å; Y657-F669 HydrophobicContact CD1-CE1 4.38Å; Y657-F669 AromaticContact CD1-CZ 3.68Å; Y657-F669 HydrophobicContact CD1-CZ 3.68Å; Y657-F669 HydrophobicContact CE1-CE2 4.33Å; Y657-F669 AromaticContact CE1-CZ 3.87Å; Y657-F669 HydrophobicContact CE1-CZ 3.87Å
658	A	98.5	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-36.9	177.3	0	0	0	0	0	112.2	M522 L525 L572 L583 A654 C655 T662	M522-A658 HydrophobicContact CE-CB 3.83Å; M522-A658 HydrophobicContact SD-CB 3.81Å; L525-A658 HydrophobicContact CD1-CB 3.49Å; L525-A658 VanDerWaalsContact CD1-CB 3.49Å; L572-A658 HydrophobicContact CD1-CB 3.96Å; L572-A658 HydrophobicContact CD2-CB 4.03Å; L583-A658 HydrophobicContact CD2-CB 3.84Å; A654-A658 PolarHBondContact O-N 2.93Å; C655-A658 PolarHBondContact O-N 3.38Å; A658-T662 WeakPolarHBondContact O-CB 3.12Å; A658-T662 VanDerWaalsContact O-CG2 3.26Å; A658-T662 WeakPolarHBondContact O-CG2 3.37Å; A658-T662 PolarHBondContact O-N 3.46Å; A658-T662 PolarHBondContact O-OG1 2.91Å
659	D	98.1	Very high	96.9	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-52.9	175	-172.9	33.6	0	0	0	112.9	Y521 L525 R528 C655 K656 Y657 I661 T662 K663	Y521-D659 HydrophobicContact CE1-CB 4.4Å; L525-D659 HydrophobicContact CD2-CB 4.1Å; R528-D659 IonicContact CZ-OD1 3.79Å; R528-D659 IonicContact NH1-OD1 3.71Å; R528-D659 PolarHBondContact NH1-OD1 2.96Å; R528-D659 PolarHBondContact NH2-O 3.34Å; R528-D659 IonicContact NH2-OD1 2.79Å; R528-D659 PolarHBondContact NH2-OD1 2.93Å; C655-D659 PolarHBondContact O-N 2.7Å; K656-D659 IonicContact NZ-OD2 2.98Å; K656-D659 PolarHBondContact NZ-OD2 2.77Å; K656-D659 PolarHBondContact O-N 2.68Å; Y657-D659 VanDerWaalsContact C-N 3.26Å; Y657-D659 PolarHBondContact O-N 2.87Å; D659-I661 PolarHBondContact O-N 3.22Å; D659-T662 PolarHBondContact O-N 2.87Å; D659-T662 PolarHBondContact O-OG1 3.35Å; D659-K663 WeakPolarHBondContact O-CG 3.4Å; D659-K663 PolarHBondContact O-N 3.43Å; D659-K663 VanDerWaalsContact OD1-CE 3.31Å; D659-K663 WeakPolarHBondContact OD1-CE 3.5Å; D659-K663 IonicContact OD1-NZ 2.67Å; D659-K663 IonicContact OD2-NZ 3.26Å
660	C	97.6	Very high	96.9	Very high	10 Å²	10	26 Å²	26	7%	0.068	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-48.1	178	-66.4	0	0	0	0	111.8	K656 Y657 T662 K663 D664 R665 I667	K656-C660 PolarHBondContact O-N 3.4Å; K656-C660 PolarHBondContact O-SG 3.38Å; Y657-C660 PolarHBondContact O-N 3.27Å; C660-T662 VanDerWaalsContact C-N 3.34Å; C660-T662 PolarHBondContact O-N 3.13Å; C660-K663 CarbonylContact O-C 3.58Å; C660-K663 WeakPolarHBondContact O-CA 3.3Å; C660-K663 PolarHBondContact O-N 3.01Å; C660-D664 PolarHBondContact O-N 3.15Å; C660-R665 PolarHBondContact O-N 3.41Å; C660-I667 HydrophobicContact CB-CG1 4.01Å
661	I	97.7	Very high	96.7	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-37.7	-176	-64.9	162.9	0	0	0	111.5	L583 V585 Y596 Y657 D659 K663 D664	L583-I661 HydrophobicContact CD2-CD1 4.43Å; V585-I661 HydrophobicContact CG1-CG2 4.1Å; V585-I661 HydrophobicContact CG2-CD1 4Å; Y596-I661 HydrophobicContact CD1-CD1 4.24Å; Y596-I661 HydrophobicContact CD2-CD1 4.27Å; Y596-I661 HydrophobicContact CE1-CD1 3.67Å; Y596-I661 HydrophobicContact CE2-CD1 3.7Å; Y657-I661 WeakPolarHBondContact O-CB 3.46Å; Y657-I661 VanDerWaalsContact O-CD1 3.28Å; Y657-I661 WeakPolarHBondContact O-CD1 3.49Å; Y657-I661 WeakPolarHBondContact O-CG1 3.15Å; Y657-I661 PolarHBondContact O-N 2.84Å; D659-I661 PolarHBondContact O-N 3.22Å; I661-K663 VanDerWaalsContact C-N 3.28Å; I661-K663 PolarHBondContact O-N 3.13Å; I661-D664 PolarHBondContact O-N 3.05Å; I661-D664 VanDerWaalsContact O-N 3.1Å
662	T	97.5	Very high	96.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-80.8	-4.7	176.1	59.5	0	0	0	0	114.3	R528 P535 V537 L572 A658 D659 C660	R528-T662 PolarHBondContact NH2-OG1 3.31Å; P535-T662 WeakPolarHBondContact CD-O 3.26Å; V537-T662 HydrophobicContact CB-CG2 4.45Å; V537-T662 HydrophobicContact CG1-CG2 4.06Å; V537-T662 HydrophobicContact CG2-CG2 3.48Å; V537-T662 VanDerWaalsContact CG2-CG2 3.48Å; L572-T662 HydrophobicContact CD1-CG2 3.96Å; L572-T662 HydrophobicContact CD2-CG2 4.2Å; L572-T662 HydrophobicContact CG-CG2 4.36Å; A658-T662 WeakPolarHBondContact O-CB 3.12Å; A658-T662 VanDerWaalsContact O-CG2 3.26Å; A658-T662 WeakPolarHBondContact O-CG2 3.37Å; A658-T662 PolarHBondContact O-N 3.46Å; A658-T662 PolarHBondContact O-OG1 2.91Å; D659-T662 PolarHBondContact O-N 2.87Å; D659-T662 PolarHBondContact O-OG1 3.35Å; C660-T662 VanDerWaalsContact C-N 3.34Å; C660-T662 PolarHBondContact O-N 3.13Å
663	K	96	Very high	96.4	Very high	57 Å²	57	35.6 Å²	35.6	25%	0.248	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.2	162.8	-67	178.6	177.6	176.6	0	112.3	F534 D659 C660 I661 R665 L691	F534-K663 HydrophobicContact CD1-CG 4.5Å; F534-K663 HydrophobicContact CE1-CB 4.39Å; F534-K663 HydrophobicContact CE1-CG 4Å; D659-K663 WeakPolarHBondContact O-CG 3.4Å; D659-K663 PolarHBondContact O-N 3.43Å; D659-K663 VanDerWaalsContact OD1-CE 3.31Å; D659-K663 WeakPolarHBondContact OD1-CE 3.5Å; D659-K663 IonicContact OD1-NZ 2.67Å; D659-K663 IonicContact OD2-NZ 3.26Å; C660-K663 CarbonylContact O-C 3.58Å; C660-K663 WeakPolarHBondContact O-CA 3.3Å; C660-K663 PolarHBondContact O-N 3.01Å; I661-K663 VanDerWaalsContact C-N 3.28Å; I661-K663 PolarHBondContact O-N 3.13Å; K663-R665 HydrophobicContact CB-CB 4.21Å; K663-R665 HydrophobicContact CB-CG 4.23Å; K663-R665 PolarHBondContact O-N 2.9Å; K663-L691 PolarHBondContact NZ-O 3.15Å
664	D	95.8	Very high	96.3	Very high	74 Å²	74	35.6 Å²	35.6	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	23.4	-161.5	-81.7	-68.1	0	0	0	113.7	P535 R589 K590 C660 I661	P535-D664 WeakPolarHBondContact CG-OD2 3.39Å; R589-D664 IonicContact CZ-OD1 2.99Å; R589-D664 IonicContact CZ-OD2 2.81Å; R589-D664 VanDerWaalsContact CZ-OD2 3.29Å; R589-D664 IonicContact NH1-OD1 2.69Å; R589-D664 IonicContact NH1-OD2 2.72Å; R589-D664 PolarHBondContact NH1-OD2 3.02Å; R589-D664 VanDerWaalsContact NH2-CG 3.34Å; R589-D664 IonicContact NH2-OD1 2.92Å; R589-D664 PolarHBondContact NH2-OD1 2.68Å; R589-D664 IonicContact NH2-OD2 2.67Å; R589-D664 PolarHBondContact NH2-OD2 3.11Å; K590-D664 IonicContact NZ-OD1 3.81Å; K590-D664 PolarHBondContact NZ-OD1 3.3Å; C660-D664 PolarHBondContact O-N 3.15Å; I661-D664 PolarHBondContact O-N 3.05Å; I661-D664 VanDerWaalsContact O-N 3.1Å
665	R	94.3	Very high	96.1	Very high	113 Å²	113	39.3 Å²	39.3	43%	0.426	20%	0.204	S	C	.	.			trans	-84	151.7	173	-82.3	-161.4	177.7	-148.1	0.7	110.3	E464 D465 C660 K663	E464-R665 PolarHBondContact O-NH1 3.44Å; E464-R665 IonicContact OE2-NH2 2.89Å; D465-R665 IonicContact OD1-NH1 3.9Å; D465-R665 PolarHBondContact OD1-NH1 2.87Å; C660-R665 PolarHBondContact O-N 3.41Å; K663-R665 HydrophobicContact CB-CB 4.21Å; K663-R665 HydrophobicContact CB-CG 4.23Å; K663-R665 PolarHBondContact O-N 2.9Å
666	P	94.8	Very high	96	Very high	93 Å²	93	41.6 Å²	41.6	60%	0.604	21%	0.213	S	C	*	.			trans	-60.5	159.4	170.5	28.1	-35.6	0	0	0	111.4	N668	P666-N668 PolarHBondContact O-N 3.37Å; P666-N668 VanDerWaalsContact O-N 3.09Å
667	I	95.6	Very high	96	Very high	43 Å²	43	41.7 Å²	41.7	22%	0.221	21%	0.213	C	C	.	.			trans	-82.2	87.7	173.4	-61.7	165.7	0	0	0	107.3	Y596 I641 P642 Y657 C660 F669	Y596-I667 HydrophobicContact CD1-CD1 4.24Å; Y596-I667 HydrophobicContact CE1-CD1 3.88Å; I641-I667 HydrophobicContact CG2-CD1 3.81Å; P642-I667 VanDerWaalsContact CD-CG2 3.5Å; P642-I667 HydrophobicContact CG-CG2 3.73Å; Y657-I667 HydrophobicContact CD1-CD1 3.82Å; Y657-I667 HydrophobicContact CD1-CG1 4.38Å; Y657-I667 HydrophobicContact CD1-CG2 4.02Å; Y657-I667 HydrophobicContact CE1-CD1 4.35Å; Y657-I667 HydrophobicContact CE1-CG2 4.08Å; C660-I667 HydrophobicContact CB-CG1 4.01Å; I667-F669 HydrophobicContact CG2-CD1 4Å; I667-F669 HydrophobicContact CG2-CE1 3.63Å; I667-F669 HydrophobicContact CG2-CE2 4.44Å; I667-F669 HydrophobicContact CG2-CZ 3.86Å
668	N	93.9	Very high	95.9	Very high	53 Å²	53	42 Å²	42	28%	0.283	21%	0.214	S	C	.	.			trans	-96.9	16	-172	64.8	-12	0	0	0	114.2	D465 P666	D465-N668 PolarHBondContact OD1-ND2 2.69Å; D465-N668 PolarHBondContact OD2-ND2 3.13Å; P666-N668 PolarHBondContact O-N 3.37Å; P666-N668 VanDerWaalsContact O-N 3.09Å
669	F	94.8	Very high	95.8	Very high	3 Å²	3	46 Å²	46	1%	0.013	23%	0.232	C	C	.	.			trans	-110.5	162.1	178.4	67.6	-100.1	0	0	0	112.7	F467 P642 F653 K656 Y657 I667 M674 F677	F467-F669 HydrophobicContact CZ-CB 4.06Å; P642-F669 WeakPolarHBondContact CB-O 3.32Å; P642-F669 HydrophobicContact CG-CD2 4.02Å; P642-F669 HydrophobicContact CG-CE2 3.77Å; P642-F669 HydrophobicContact CG-CZ 4.36Å; P642-F669 WeakPolarHBondContact CG-O 3.43Å; F653-F669 AromaticContact CD1-CE2 3.81Å; F653-F669 HydrophobicContact CD1-CE2 3.81Å; F653-F669 AromaticContact CE1-CE2 3.97Å; F653-F669 HydrophobicContact CE1-CE2 3.97Å; K656-F669 HydrophobicContact CB-CD1 4.27Å; K656-F669 HydrophobicContact CB-CE1 3.5Å; K656-F669 HydrophobicContact CB-CE2 4.21Å; K656-F669 HydrophobicContact CB-CZ 3.47Å; K656-F669 VanDerWaalsContact CB-CZ 3.47Å; Y657-F669 HydrophobicContact CD1-CE1 4.38Å; Y657-F669 AromaticContact CD1-CZ 3.68Å; Y657-F669 HydrophobicContact CD1-CZ 3.68Å; Y657-F669 HydrophobicContact CE1-CE2 4.33Å; Y657-F669 AromaticContact CE1-CZ 3.87Å; Y657-F669 HydrophobicContact CE1-CZ 3.87Å; I667-F669 HydrophobicContact CG2-CD1 4Å; I667-F669 HydrophobicContact CG2-CE1 3.63Å; I667-F669 HydrophobicContact CG2-CE2 4.44Å; I667-F669 HydrophobicContact CG2-CZ 3.86Å; F669-M674 HydrophobicContact CD2-CE 3.53Å; F669-M674 HydrophobicContact CE2-CE 3.36Å; F669-M674 HydrophobicContact CZ-CE 4.35Å; F669-F677 HydrophobicContact CB-CE2 3.68Å; F669-F677 HydrophobicContact CB-CZ 3.79Å; F669-F677 HydrophobicContact CD1-CE2 4.29Å; F669-F677 HydrophobicContact CD1-CZ 4.37Å; F669-F677 HydrophobicContact CD2-CE2 4.02Å; F669-F677 AromaticContact CG-CE2 3.75Å; F669-F677 HydrophobicContact CG-CE2 3.75Å; F669-F677 HydrophobicContact CG-CZ 4.1Å
670	T	94.9	Very high	95.8	Very high	63 Å²	63	46 Å²	46	39%	0.387	23%	0.231	S	C	.	.			trans	-131.2	173.2	172	69.1	0	0	0	0	111.3	Q672 H673	T670-Q672 PolarHBondContact O-N 3.45Å; T670-Q672 VanDerWaalsContact O-N 3.07Å; T670-Q672 WeakPolarHBondContact OG1-CG 3.35Å; T670-H673 PolarHBondContact N-CE1 3.42Å; T670-H673 PolarHBondContact N-ND1 2.85Å; T670-H673 PolarHBondContact O-N 3.28Å; T670-H673 VanDerWaalsContact O-N 3.11Å; T670-H673 PolarHBondContact O-ND1 3.47Å; T670-H673 PolarHBondContact OG1-CE1 2.79Å; T670-H673 VanDerWaalsContact OG1-CE1 3.29Å; T670-H673 PolarHBondContact OG1-ND1 2.81Å
671	Q	93.6	Very high	95.8	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.093	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-48.8	-33.2	178.5	174.6	64	85.2	0	0	114.6	M645 D649 F653 H673 M674	M645-Q671 HydrophobicContact CB-CG 4Å; M645-Q671 HydrophobicContact CE-CB 4.16Å; M645-Q671 HydrophobicContact CE-CG 3.72Å; M645-Q671 HydrophobicContact CG-CB 4.19Å; M645-Q671 HydrophobicContact CG-CG 3.91Å; D649-Q671 PolarHBondContact OD2-NE2 2.84Å; F653-Q671 HydrophobicContact CZ-CB 4.23Å; Q671-H673 PolarHBondContact O-N 2.99Å; Q671-H673 VanDerWaalsContact O-N 3.1Å; Q671-M674 PolarHBondContact O-N 2.8Å; Q671-M674 VanDerWaalsContact O-N 3.1Å
672	Q	93.6	Very high	95.8	Very high	149 Å²	149	44.7 Å²	44.7	70%	0.696	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-59.8	-23.9	-178.4	77.6	-160.4	18.2	0	0	113.5	T670 P675	T670-Q672 PolarHBondContact O-N 3.45Å; T670-Q672 VanDerWaalsContact O-N 3.07Å; T670-Q672 WeakPolarHBondContact OG1-CG 3.35Å; Q672-P675 WeakPolarHBondContact O-CD 3.13Å
673	H	95.3	Very high	95.8	Very high	36 Å²	36	46.1 Å²	46.1	17%	0.167	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-87.2	-9.6	-178	-46.9	90.1	0	0	0	113.1	F467 T670 Q671 Y676 F677	F467-H673 AromaticContact CD2-CD2 3.88Å; F467-H673 AromaticContact CE2-CD2 3.5Å; F467-H673 AromaticContact CE2-NE2 3.72Å; T670-H673 PolarHBondContact N-CE1 3.42Å; T670-H673 PolarHBondContact N-ND1 2.85Å; T670-H673 PolarHBondContact O-N 3.28Å; T670-H673 VanDerWaalsContact O-N 3.11Å; T670-H673 PolarHBondContact O-ND1 3.47Å; T670-H673 PolarHBondContact OG1-CE1 2.79Å; T670-H673 VanDerWaalsContact OG1-CE1 3.29Å; T670-H673 PolarHBondContact OG1-ND1 2.81Å; Q671-H673 PolarHBondContact O-N 2.99Å; Q671-H673 VanDerWaalsContact O-N 3.1Å; H673-Y676 WeakPolarHBondContact O-CB 3.46Å; H673-Y676 PolarHBondContact O-N 3.2Å; H673-Y676 VanDerWaalsContact O-N 3.1Å; H673-F677 HydrophobicContact CB-CD2 3.87Å; H673-F677 HydrophobicContact CB-CE2 3.49Å; H673-F677 VanDerWaalsContact CB-CE2 3.49Å; H673-F677 HydrophobicContact CB-CZ 3.97Å; H673-F677 WeakPolarHBondContact O-CD2 3.44Å; H673-F677 PolarHBondContact O-N 3.46Å
674	M	95.9	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-38.4	-176.5	-66.4	-62.4	149.1	0	0	114.3	D649 M652 F653 F669 Q671 Y676 F677 R678	D649-M674 HydrophobicContact CB-CB 4.47Å; D649-M674 HydrophobicContact CB-CG 4.14Å; D649-M674 VanDerWaalsContact OD2-CB 3.23Å; D649-M674 WeakPolarHBondContact OD2-CB 3.36Å; M652-M674 HydrophobicContact CB-SD 3.63Å; F653-M674 HydrophobicContact CD1-CE 3.93Å; F653-M674 HydrophobicContact CD2-CE 3.86Å; F653-M674 HydrophobicContact CD2-CG 4.39Å; F653-M674 HydrophobicContact CD2-SD 4.09Å; F653-M674 HydrophobicContact CE1-CE 3.86Å; F653-M674 HydrophobicContact CE2-CE 3.78Å; F653-M674 HydrophobicContact CE2-CG 3.84Å; F653-M674 HydrophobicContact CE2-SD 4.09Å; F653-M674 HydrophobicContact CG-CE 3.94Å; F653-M674 HydrophobicContact CZ-CE 3.79Å; F653-M674 HydrophobicContact CZ-CG 4.32Å; F669-M674 HydrophobicContact CD2-CE 3.53Å; F669-M674 HydrophobicContact CE2-CE 3.36Å; F669-M674 HydrophobicContact CZ-CE 4.35Å; Q671-M674 PolarHBondContact O-N 2.8Å; Q671-M674 VanDerWaalsContact O-N 3.1Å; M674-Y676 VanDerWaalsContact C-N 3.32Å; M674-Y676 PolarHBondContact O-N 3.26Å; M674-F677 HydrophobicContact CE-CD2 3.92Å; M674-F677 HydrophobicContact CE-CE2 4.17Å; M674-F677 PolarHBondContact O-N 3.12Å; M674-F677 HydrophobicContact SD-CD2 3.96Å; M674-R678 WeakPolarHBondContact O-CB 3.42Å; M674-R678 WeakPolarHBondContact O-CG 3.4Å; M674-R678 PolarHBondContact O-N 2.98Å
675	P	95.4	Very high	95.9	Very high	81 Å²	81	40 Å²	40	53%	0.526	20%	0.199	S	C	.	.	H	α-helix	trans	-61.1	-37.8	172.2	-24.5	35.7	0	0	0	113.3	Q672 K679	Q672-P675 WeakPolarHBondContact O-CD 3.13Å; P675-K679 PolarHBondContact O-N 2.99Å
676	Y	95.9	Very high	96	Very high	49 Å²	49	36.1 Å²	36.1	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-49.6	172.3	159	-91.6	0	0	0	110.9	F467 P468 I470 H673 M674 R678 K679 R680	F467-Y676 HydrophobicContact CB-CE1 3.86Å; F467-Y676 HydrophobicContact CD1-CE1 4.46Å; F467-Y676 HydrophobicContact CG-CE1 4.24Å; P468-Y676 VanDerWaalsContact O-CE2 3.29Å; P468-Y676 WeakPolarHBondContact O-CE2 3.4Å; P468-Y676 PolarHBondContact O-OH 3.17Å; I470-Y676 HydrophobicContact CD1-CD2 3.85Å; I470-Y676 HydrophobicContact CD1-CE2 4Å; I470-Y676 HydrophobicContact CG1-CD2 4.13Å; I470-Y676 HydrophobicContact CG1-CE2 3.84Å; H673-Y676 WeakPolarHBondContact O-CB 3.46Å; H673-Y676 PolarHBondContact O-N 3.2Å; H673-Y676 VanDerWaalsContact O-N 3.1Å; M674-Y676 VanDerWaalsContact C-N 3.32Å; M674-Y676 PolarHBondContact O-N 3.26Å; Y676-R678 VanDerWaalsContact C-N 3.28Å; Y676-R678 PolarHBondContact O-N 3.23Å; Y676-K679 PolarHBondContact O-N 2.96Å; Y676-R680 WeakPolarHBondContact O-CB 3.47Å; Y676-R680 PolarHBondContact O-N 3.41Å; Y676-R680 VanDerWaalsContact OH-CD 3.29Å; Y676-R680 WeakPolarHBondContact OH-CD 3.34Å; Y676-R680 PolarHBondContact OH-NH1 3.4Å
677	F	97.4	Very high	96	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.022	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-34.5	-179.8	-68.6	-44.2	0	0	0	112.6	F467 M652 K656 F669 H673 M674 M681	F467-F677 HydrophobicContact CD1-CE1 4.03Å; F467-F677 HydrophobicContact CD1-CZ 4.26Å; F467-F677 AromaticContact CE1-CE1 3.97Å; F467-F677 HydrophobicContact CE1-CE1 3.97Å; F467-F677 AromaticContact CE1-CZ 3.76Å; F467-F677 HydrophobicContact CE1-CZ 3.76Å; F467-F677 HydrophobicContact CZ-CZ 4.03Å; M652-F677 VanDerWaalsContact CE-C 3.4Å; M652-F677 HydrophobicContact CE-CB 3.57Å; M652-F677 WeakPolarHBondContact CE-O 3.49Å; K656-F677 HydrophobicContact CD-CB 4.31Å; K656-F677 HydrophobicContact CD-CD1 4.08Å; K656-F677 HydrophobicContact CD-CD2 4.37Å; K656-F677 HydrophobicContact CD-CE1 4.49Å; K656-F677 HydrophobicContact CD-CG 4.03Å; K656-F677 HydrophobicContact CG-CB 4.33Å; K656-F677 HydrophobicContact CG-CD1 4.42Å; K656-F677 HydrophobicContact CG-CD2 3.83Å; K656-F677 HydrophobicContact CG-CE2 4.17Å; K656-F677 HydrophobicContact CG-CG 3.97Å; F669-F677 HydrophobicContact CB-CE2 3.68Å; F669-F677 HydrophobicContact CB-CZ 3.79Å; F669-F677 HydrophobicContact CD1-CE2 4.29Å; F669-F677 HydrophobicContact CD1-CZ 4.37Å; F669-F677 HydrophobicContact CD2-CE2 4.02Å; F669-F677 AromaticContact CG-CE2 3.75Å; F669-F677 HydrophobicContact CG-CE2 3.75Å; F669-F677 HydrophobicContact CG-CZ 4.1Å; H673-F677 HydrophobicContact CB-CD2 3.87Å; H673-F677 HydrophobicContact CB-CE2 3.49Å; H673-F677 VanDerWaalsContact CB-CE2 3.49Å; H673-F677 HydrophobicContact CB-CZ 3.97Å; H673-F677 WeakPolarHBondContact O-CD2 3.44Å; H673-F677 PolarHBondContact O-N 3.46Å; M674-F677 HydrophobicContact CE-CD2 3.92Å; M674-F677 HydrophobicContact CE-CE2 4.17Å; M674-F677 PolarHBondContact O-N 3.12Å; M674-F677 HydrophobicContact SD-CD2 3.96Å; F677-M681 WeakPolarHBondContact O-CB 3.23Å; F677-M681 PolarHBondContact O-N 3.29Å
678	R	97.4	Very high	96	Very high	8 Å²	8	40.1 Å²	40.1	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-51.5	173.7	-80.5	174.6	174	-91.4	4.6	111.6	T506 L507 H509 N511 S648 D649 M652 M674 Y676 R680 M681 V682	T506-R678 PolarHBondContact O-NH1 3.19Å; L507-R678 WeakPolarHBondContact O-CB 3.37Å; L507-R678 WeakPolarHBondContact O-CD 3.35Å; L507-R678 WeakPolarHBondContact O-CG 3.5Å; L507-R678 PolarHBondContact O-NH1 2.88Å; H509-R678 WeakPolarHBondContact O-CD 3.23Å; H509-R678 PolarHBondContact O-NE 2.88Å; N511-R678 PolarHBondContact O-NH1 3.46Å; N511-R678 PolarHBondContact O-NH2 3.29Å; S648-R678 PolarHBondContact O-NH2 2.94Å; D649-R678 IonicContact OD1-CZ 2.73Å; D649-R678 IonicContact OD1-NE 3.22Å; D649-R678 PolarHBondContact OD1-NE 3.34Å; D649-R678 IonicContact OD1-NH2 2.66Å; D649-R678 PolarHBondContact OD1-NH2 2.96Å; M652-R678 HydrophobicContact CE-CB 4.45Å; M652-R678 HydrophobicContact CE-CG 3.87Å; M652-R678 HydrophobicContact CG-CG 3.82Å; M652-R678 HydrophobicContact SD-CG 3.67Å; M674-R678 WeakPolarHBondContact O-CB 3.42Å; M674-R678 WeakPolarHBondContact O-CG 3.4Å; M674-R678 PolarHBondContact O-N 2.98Å; Y676-R678 VanDerWaalsContact C-N 3.28Å; Y676-R678 PolarHBondContact O-N 3.23Å; R678-R680 PolarHBondContact O-N 3.42Å; R678-M681 PolarHBondContact O-N 2.93Å; R678-V682 PolarHBondContact O-N 2.96Å
679	K	96.6	Very high	96	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-55.9	-50.5	173.9	-75.4	-172.5	-174.3	-176.1	0	111.3	I470 E475 I478 P675 Y676 V682 W683	I470-K679 HydrophobicContact CD1-CB 3.58Å; I470-K679 HydrophobicContact CD1-CD 4.43Å; E475-K679 IonicContact OE1-NZ 3.61Å; E475-K679 PolarHBondContact OE1-NZ 3.11Å; I478-K679 HydrophobicContact CD1-CB 4.14Å; I478-K679 WeakPolarHBondContact CD1-O 3.46Å; I478-K679 HydrophobicContact CG2-CB 4.49Å; I478-K679 HydrophobicContact CG2-CG 4.44Å; P675-K679 PolarHBondContact O-N 2.99Å; Y676-K679 PolarHBondContact O-N 2.96Å; K679-V682 WeakPolarHBondContact O-CB 3.42Å; K679-V682 PolarHBondContact O-N 2.87Å; K679-W683 PolarHBondContact O-N 3.31Å
680	R	96.8	Very high	96	Very high	6 Å²	6	44.8 Å²	44.8	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-47.4	179.1	168.5	173.3	155.6	155.5	4	112.2	I470 Y676 R678 V682 W683 E684 L691	I470-R680 HydrophobicContact CD1-CB 4.07Å; Y676-R680 WeakPolarHBondContact O-CB 3.47Å; Y676-R680 PolarHBondContact O-N 3.41Å; Y676-R680 VanDerWaalsContact OH-CD 3.29Å; Y676-R680 WeakPolarHBondContact OH-CD 3.34Å; Y676-R680 PolarHBondContact OH-NH1 3.4Å; R678-R680 PolarHBondContact O-N 3.42Å; R680-V682 VanDerWaalsContact C-N 3.27Å; R680-V682 PolarHBondContact O-N 2.88Å; R680-W683 WeakPolarHBondContact O-CB 3.27Å; R680-W683 PolarHBondContact O-N 2.86Å; R680-E684 HydrophobicContact CG-CG 3.98Å; R680-E684 IonicContact CZ-OE1 2.74Å; R680-E684 VanDerWaalsContact CZ-OE1 3.22Å; R680-E684 IonicContact NE-OE1 2.76Å; R680-E684 PolarHBondContact NE-OE1 2.87Å; R680-E684 IonicContact NE-OE2 3.88Å; R680-E684 IonicContact NH2-OE1 2.85Å; R680-E684 PolarHBondContact NH2-OE1 2.61Å; R680-E684 WeakPolarHBondContact O-CG 3.43Å; R680-E684 PolarHBondContact O-N 3.49Å; R680-L691 HydrophobicContact CG-CD1 4.41Å; R680-L691 PolarHBondContact NH2-O 3.43Å
681	M	98	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-33.9	-177.1	-172.6	179.7	-66.7	0	0	112.3	L507 L513 I517 Y521 M652 C655 F677 R678 E684 I685	L507-M681 HydrophobicContact CD1-CB 4.4Å; L507-M681 HydrophobicContact CD1-CG 4.18Å; L507-M681 HydrophobicContact CD1-SD 4.44Å; L507-M681 HydrophobicContact CD2-CB 4.26Å; L507-M681 HydrophobicContact CD2-CG 4.18Å; L507-M681 HydrophobicContact CD2-SD 3.62Å; L513-M681 HydrophobicContact CD2-SD 4.32Å; I517-M681 HydrophobicContact CG2-SD 4.16Å; Y521-M681 HydrophobicContact CD1-CE 4.31Å; Y521-M681 HydrophobicContact CD2-CE 3.76Å; Y521-M681 HydrophobicContact CD2-CG 3.68Å; Y521-M681 HydrophobicContact CD2-SD 3.84Å; Y521-M681 HydrophobicContact CE1-CE 4.27Å; Y521-M681 HydrophobicContact CE2-CE 3.74Å; Y521-M681 HydrophobicContact CE2-CG 3.88Å; Y521-M681 HydrophobicContact CE2-SD 4.29Å; Y521-M681 HydrophobicContact CG-CE 4.05Å; Y521-M681 HydrophobicContact CG-SD 4.24Å; M652-M681 HydrophobicContact CE-CB 4.41Å; M652-M681 HydrophobicContact CE-CE 3.63Å; M652-M681 HydrophobicContact CE-SD 4.32Å; M652-M681 HydrophobicContact SD-CE 3.89Å; M652-M681 HydrophobicContact SD-SD 4.04Å; C655-M681 HydrophobicContact CB-CE 3.6Å; F677-M681 WeakPolarHBondContact O-CB 3.23Å; F677-M681 PolarHBondContact O-N 3.29Å; R678-M681 PolarHBondContact O-N 2.93Å; M681-E684 PolarHBondContact O-N 2.88Å; M681-I685 HydrophobicContact CG-CD1 3.85Å; M681-I685 HydrophobicContact CG-CG1 4.35Å; M681-I685 WeakPolarHBondContact O-CB 3.37Å; M681-I685 VanDerWaalsContact O-CG1 3.26Å; M681-I685 WeakPolarHBondContact O-CG1 3.48Å; M681-I685 PolarHBondContact O-N 3.22Å; M681-I685 HydrophobicContact SD-CD1 4.45Å
682	V	97.5	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-51.1	170.4	170.7	0	0	0	0	110.6	I478 V481 F482 I504 L507 R678 K679 R680 E684 I685 L686	I478-V682 HydrophobicContact CG1-CB 4.4Å; I478-V682 HydrophobicContact CG1-CG1 4.2Å; I478-V682 HydrophobicContact CG2-CB 4.46Å; I478-V682 HydrophobicContact CG2-CG1 4.32Å; V481-V682 HydrophobicContact CG2-CG1 3.48Å; V481-V682 VanDerWaalsContact CG2-CG1 3.48Å; F482-V682 HydrophobicContact CE1-CG2 4.04Å; F482-V682 HydrophobicContact CZ-CG2 3.66Å; I504-V682 HydrophobicContact CG2-CG1 3.99Å; I504-V682 HydrophobicContact CG2-CG2 4.17Å; L507-V682 HydrophobicContact CB-CG2 3.65Å; L507-V682 HydrophobicContact CD1-CB 4.46Å; L507-V682 HydrophobicContact CD1-CG2 3.54Å; L507-V682 HydrophobicContact CG-CG2 4.22Å; R678-V682 PolarHBondContact O-N 2.96Å; K679-V682 WeakPolarHBondContact O-CB 3.42Å; K679-V682 PolarHBondContact O-N 2.87Å; R680-V682 VanDerWaalsContact C-N 3.27Å; R680-V682 PolarHBondContact O-N 2.88Å; V682-E684 PolarHBondContact O-N 3.49Å; V682-I685 PolarHBondContact O-N 3.07Å; V682-L686 HydrophobicContact CG1-CD1 3.92Å; V682-L686 VanDerWaalsContact O-CG 3.27Å; V682-L686 WeakPolarHBondContact O-CG 3.39Å; V682-L686 PolarHBondContact O-N 2.67Å
683	W	97.3	Very high	95.9	Very high	32 Å²	32	40.7 Å²	40.7	12%	0.121	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-42.2	179.3	-170.3	91.1	0	0	0	112.5	M474 E477 I478 K679 R680 I685 L686 H687 L691	M474-W683 HydrophobicContact CB-CG 4.4Å; M474-W683 HydrophobicContact CE-CD2 3.75Å; M474-W683 HydrophobicContact CE-CE3 4.04Å; M474-W683 HydrophobicContact CE-CG 4Å; M474-W683 HydrophobicContact CG-CD2 4.49Å; M474-W683 HydrophobicContact CG-CZ2 4.48Å; E477-W683 VanDerWaalsContact OE2-CD1 3.26Å; E477-W683 PolarHBondContact OE2-NE1 3.46Å; I478-W683 HydrophobicContact CD1-CB 4.05Å; I478-W683 HydrophobicContact CG1-CB 4.08Å; K679-W683 PolarHBondContact O-N 3.31Å; R680-W683 WeakPolarHBondContact O-CB 3.27Å; R680-W683 PolarHBondContact O-N 2.86Å; W683-I685 VanDerWaalsContact C-N 3.34Å; W683-I685 PolarHBondContact O-N 2.97Å; W683-L686 PolarHBondContact O-N 3.29Å; W683-H687 AromaticContact CD1-CE1 3.7Å; W683-H687 AromaticContact CD1-ND1 3.65Å; W683-H687 AromaticContact CD2-ND1 3.47Å; W683-H687 AromaticContact CE2-CE1 3.49Å; W683-H687 VanDerWaalsContact CE2-CE1 3.49Å; W683-H687 AromaticContact CE2-CG 3.77Å; W683-H687 AromaticContact CE2-ND1 3.17Å; W683-H687 HydrophobicContact CE3-CB 4.44Å; W683-H687 AromaticContact CG-ND1 3.77Å; W683-H687 HydrophobicContact CH2-CB 4.16Å; W683-H687 AromaticContact CH2-CG 3.99Å; W683-H687 HydrophobicContact CZ2-CB 4.36Å; W683-H687 AromaticContact CZ2-CE1 3.92Å; W683-H687 AromaticContact CZ2-CG 3.69Å; W683-H687 AromaticContact CZ2-ND1 3.6Å; W683-H687 HydrophobicContact CZ3-CB 4.2Å; W683-H687 AromaticContact NE1-CE1 3.15Å; W683-H687 PolarHBondContact NE1-CE1 3.47Å; W683-H687 AromaticContact NE1-ND1 3.27Å; W683-H687 PolarHBondContact NE1-ND1 3.06Å; W683-H687 WeakPolarHBondContact O-CB 3.48Å; W683-H687 PolarHBondContact O-N 2.96Å; W683-H687 PolarHBondContact O-ND1 3.4Å; W683-L691 HydrophobicContact CE3-CD1 4Å; W683-L691 HydrophobicContact CE3-CG 4.35Å; W683-L691 HydrophobicContact CH2-CD2 4.45Å; W683-L691 HydrophobicContact CZ3-CD1 4.05Å; W683-L691 HydrophobicContact CZ3-CD2 3.83Å; W683-L691 HydrophobicContact CZ3-CG 4.01Å
684	E	97.6	Very high	95.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-40.9	176.8	-69.1	179.8	136.4	0	0	112	M524 R680 M681 V682 R688 K689 L690 L691	M524-E684 HydrophobicContact CE-CB 4.31Å; R680-E684 HydrophobicContact CG-CG 3.98Å; R680-E684 IonicContact CZ-OE1 2.74Å; R680-E684 VanDerWaalsContact CZ-OE1 3.22Å; R680-E684 IonicContact NE-OE1 2.76Å; R680-E684 PolarHBondContact NE-OE1 2.87Å; R680-E684 IonicContact NE-OE2 3.88Å; R680-E684 IonicContact NH2-OE1 2.85Å; R680-E684 PolarHBondContact NH2-OE1 2.61Å; R680-E684 WeakPolarHBondContact O-CG 3.43Å; R680-E684 PolarHBondContact O-N 3.49Å; M681-E684 PolarHBondContact O-N 2.88Å; V682-E684 PolarHBondContact O-N 3.49Å; E684-R688 VanDerWaalsContact O-CA 3.25Å; E684-R688 WeakPolarHBondContact O-CA 3.39Å; E684-R688 PolarHBondContact O-N 3.47Å; E684-K689 VanDerWaalsContact CA-O 3.26Å; E684-K689 WeakPolarHBondContact CA-O 3.42Å; E684-K689 WeakPolarHBondContact CB-O 3.47Å; E684-K689 WeakPolarHBondContact CG-O 3.13Å; E684-K689 PolarHBondContact O-N 3.12Å; E684-L690 HydrophobicContact CB-CD2 4.23Å; E684-L690 HydrophobicContact CG-CD2 4.38Å; E684-L691 HydrophobicContact CG-CG 4.46Å; E684-L691 PolarHBondContact OE1-N 3.44Å
685	I	97.4	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-40.1	178.8	-71.8	171.1	0	0	0	112.1	S492 I499 I504 L507 I517 F520 M524 M681 V682 W683 R688	S492-I685 WeakPolarHBondContact CB-O 3.43Å; S492-I685 PolarHBondContact OG-O 3.02Å; I499-I685 HydrophobicContact CB-CG2 4.39Å; I499-I685 HydrophobicContact CG1-CG2 4.13Å; I499-I685 HydrophobicContact CG2-CG2 4.02Å; I504-I685 HydrophobicContact CD1-CB 4.35Å; I504-I685 HydrophobicContact CD1-CG2 3.91Å; L507-I685 HydrophobicContact CD1-CD1 4.02Å; I517-I685 HydrophobicContact CD1-CD1 3.84Å; I517-I685 HydrophobicContact CG2-CD1 4Å; F520-I685 HydrophobicContact CD1-CB 4.45Å; F520-I685 HydrophobicContact CD1-CG1 4.04Å; F520-I685 HydrophobicContact CD1-CG2 3.98Å; F520-I685 HydrophobicContact CE1-CB 4.36Å; F520-I685 HydrophobicContact CE1-CG1 4.39Å; F520-I685 HydrophobicContact CE1-CG2 3.86Å; F520-I685 HydrophobicContact CZ-CG2 4.43Å; M524-I685 HydrophobicContact CE-CB 4.45Å; M524-I685 HydrophobicContact CE-CG1 3.54Å; M681-I685 HydrophobicContact CG-CD1 3.85Å; M681-I685 HydrophobicContact CG-CG1 4.35Å; M681-I685 WeakPolarHBondContact O-CB 3.37Å; M681-I685 VanDerWaalsContact O-CG1 3.26Å; M681-I685 WeakPolarHBondContact O-CG1 3.48Å; M681-I685 PolarHBondContact O-N 3.22Å; M681-I685 HydrophobicContact SD-CD1 4.45Å; V682-I685 PolarHBondContact O-N 3.07Å; W683-I685 VanDerWaalsContact C-N 3.34Å; W683-I685 PolarHBondContact O-N 2.97Å; I685-R688 PolarHBondContact O-N 3.35Å
686	L	96	Very high	96	Very high	33 Å²	33	41 Å²	41	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-45.2	176	-68.6	169.4	0	0	0	111.2	V481 L491 V682 W683	V481-L686 HydrophobicContact CG1-CD1 3.89Å; V481-L686 HydrophobicContact CG1-CD2 4.07Å; V481-L686 HydrophobicContact CG2-CD1 4.13Å; L491-L686 HydrophobicContact CB-CD2 3.82Å; V682-L686 HydrophobicContact CG1-CD1 3.92Å; V682-L686 VanDerWaalsContact O-CG 3.27Å; V682-L686 WeakPolarHBondContact O-CG 3.39Å; V682-L686 PolarHBondContact O-N 2.67Å; W683-L686 PolarHBondContact O-N 3.29Å
687	H	95.8	Very high	96	Very high	81 Å²	81	40.5 Å²	40.5	38%	0.375	18%	0.178	S	C	.	.	H	α-helix	trans	-84.9	-12.1	-178.5	-68.7	86.9	0	0	0	113.9	E477 W683 K689	E477-H687 IonicContact OE2-CE1 2.86Å; E477-H687 PolarHBondContact OE2-CE1 3.5Å; E477-H687 VanDerWaalsContact OE2-CE1 3.26Å; E477-H687 IonicContact OE2-NE2 2.67Å; W683-H687 AromaticContact CD1-CE1 3.7Å; W683-H687 AromaticContact CD1-ND1 3.65Å; W683-H687 AromaticContact CD2-ND1 3.47Å; W683-H687 AromaticContact CE2-CE1 3.49Å; W683-H687 VanDerWaalsContact CE2-CE1 3.49Å; W683-H687 AromaticContact CE2-CG 3.77Å; W683-H687 AromaticContact CE2-ND1 3.17Å; W683-H687 HydrophobicContact CE3-CB 4.44Å; W683-H687 AromaticContact CG-ND1 3.77Å; W683-H687 HydrophobicContact CH2-CB 4.16Å; W683-H687 AromaticContact CH2-CG 3.99Å; W683-H687 HydrophobicContact CZ2-CB 4.36Å; W683-H687 AromaticContact CZ2-CE1 3.92Å; W683-H687 AromaticContact CZ2-CG 3.69Å; W683-H687 AromaticContact CZ2-ND1 3.6Å; W683-H687 HydrophobicContact CZ3-CB 4.2Å; W683-H687 AromaticContact NE1-CE1 3.15Å; W683-H687 PolarHBondContact NE1-CE1 3.47Å; W683-H687 AromaticContact NE1-ND1 3.27Å; W683-H687 PolarHBondContact NE1-ND1 3.06Å; W683-H687 WeakPolarHBondContact O-CB 3.48Å; W683-H687 PolarHBondContact O-N 2.96Å; W683-H687 PolarHBondContact O-ND1 3.4Å; H687-K689 HydrophobicContact CB-CB 4.3Å; H687-K689 PolarHBondContact O-N 3.16Å
688	R	95.1	Very high	95.9	Very high	138 Å²	138	43 Å²	43	52%	0.521	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	37	-172.6	-62.4	165.5	-70.9	-168.8	0.8	111.7	S492 E493 A494 F520 E684 I685	S492-R688 WeakPolarHBondContact OG-CG 3.35Å; E493-R688 PolarHBondContact O-NH1 3.47Å; A494-R688 HydrophobicContact CB-CG 4.33Å; F520-R688 HydrophobicContact CE1-CG 4.16Å; F520-R688 HydrophobicContact CZ-CG 3.89Å; E684-R688 VanDerWaalsContact O-CA 3.25Å; E684-R688 WeakPolarHBondContact O-CA 3.39Å; E684-R688 PolarHBondContact O-N 3.47Å; I685-R688 PolarHBondContact O-N 3.35Å
689	K	93.8	Very high	95.7	Very high	126 Å²	126	45.7 Å²	45.7	55%	0.548	20%	0.201	S	C	.	.			trans	-138	122.2	-175.5	-176.6	-173.9	176	-169	0	109.2	E684 H687	E684-K689 VanDerWaalsContact CA-O 3.26Å; E684-K689 WeakPolarHBondContact CA-O 3.42Å; E684-K689 WeakPolarHBondContact CB-O 3.47Å; E684-K689 WeakPolarHBondContact CG-O 3.13Å; E684-K689 PolarHBondContact O-N 3.12Å; H687-K689 HydrophobicContact CB-CB 4.3Å; H687-K689 PolarHBondContact O-N 3.16Å
690	L	94.1	Very high	95.7	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.147	19%	0.188	C	C	.	.			trans	-80.9	149.2	171.7	-61.5	174.6	0	0	0	110.6	Y521 M524 L525 R528 E684	Y521-L690 HydrophobicContact CD2-CD2 4.28Å; Y521-L690 HydrophobicContact CE2-CD2 3.57Å; M524-L690 HydrophobicContact CB-CD1 4.07Å; M524-L690 HydrophobicContact CB-CD2 4.2Å; M524-L690 HydrophobicContact CB-CG 4.1Å; M524-L690 HydrophobicContact CE-CD2 3.86Å; M524-L690 HydrophobicContact SD-CD2 4.49Å; L525-L690 HydrophobicContact CD2-CD1 3.79Å; R528-L690 HydrophobicContact CB-CD1 4.41Å; R528-L690 VanDerWaalsContact NH1-CD1 3.33Å; E684-L690 HydrophobicContact CB-CD2 4.23Å; E684-L690 HydrophobicContact CG-CD2 4.38Å
691	L	88.9	Confident	95.6	Very high	65 Å²	65	45.8 Å²	45.8	34%	0.34	20%	0.203	S	C	.	.			trans	-101.5	0	175.1	-60.4	171.1	0	0	0	113.2	P468 M474 K663 R680 W683 E684	P468-L691 HydrophobicContact CG-CB 4.49Å; M474-L691 HydrophobicContact CE-CD1 3.8Å; K663-L691 PolarHBondContact NZ-O 3.15Å; R680-L691 HydrophobicContact CG-CD1 4.41Å; R680-L691 PolarHBondContact NH2-O 3.43Å; W683-L691 HydrophobicContact CE3-CD1 4Å; W683-L691 HydrophobicContact CE3-CG 4.35Å; W683-L691 HydrophobicContact CH2-CD2 4.45Å; W683-L691 HydrophobicContact CZ3-CD1 4.05Å; W683-L691 HydrophobicContact CZ3-CD2 3.83Å; W683-L691 HydrophobicContact CZ3-CG 4.01Å; E684-L691 HydrophobicContact CG-CG 4.46Å; E684-L691 PolarHBondContact OE1-N 3.44Å

Retrieved 691 of 691 residues in 741.8 ms (Link to these results)

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