A0A061AKR6_CAEEL Loading...

Dual specificity tyrosine-phosphorylation-regulated kinase mbk-2

Required for oocyte-to-zygote transition in which it phosphorylates oocyte proteins, including mei-1, oma-1, oma-2, mex-5, and mex-6, modifying their activity and/or stability following meiosis. Through phosphorylation of P granule components including meg-1, promotes the disassembly of zygotic P granules in the anterior cytoplasm during zygote polarization, and thus plays a role in P granule distribution and segregation in early stage embryos following meiosis. Functions in both spindle positioning and in the posterior localization of cytoplasmic determinants, including pie-1, pos-1, and pgl-1, in early embryos. Involved in the asymmetric distribution of plk-1 at the 2-cell embryonic stage.

AlphaFold DB , UniProt , Accession A0A061AKR6, Species CAEEL (Caenorhabditis elegans), Gene mbk-2, Length 779 aa.

Structure Viewer

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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	28.9	Very low	28.6	Very low	242 Å²	242	142.4 Å²	142.4	100%	1.192	81%	0.81	S	S	*	*				0	112.2	0	-59.1	172.4	-171.5	0	0	105.4
2	A	26.2	Very low	28.6	Very low	101 Å²	101	150 Å²	150	84%	0.835	82%	0.816	S	S	*	*				72.8	124.1	62.7	0	0	0	0	0	110.6
3	A	28.1	Very low	28.6	Very low	81 Å²	81	145.7 Å²	145.7	67%	0.669	80%	0.804	S	S	*	*			cis	-160.2	163.8	5.2	0	0	0	0	0	113.7
4	L	30.3	Very low	28.7	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	82%	0.817	S	S	*	*			trans	61.1	149.9	146.4	-65.2	162.6	0	0	0	119.6
5	A	32.1	Very low	28.6	Very low	80 Å²	80	147.3 Å²	147.3	66%	0.661	81%	0.808	S	S	*	*			cis	-158.8	148.4	-14.8	0	0	0	0	0	113.3
6	S	27.3	Very low	28.7	Very low	106 Å²	106	150.8 Å²	150.8	74%	0.741	82%	0.816	S	S	*	*			trans	24.3	131.7	139.1	-49.7	0	0	0	0	122.6
7	F	26	Very low	28.6	Very low	211 Å²	211	152.4 Å²	152.4	93%	0.925	82%	0.817	S	S	*	*				-143.7	150.2	121.2	-124.5	-86.3	0	0	0	111.5
8	T	29.1	Very low	30	Very low	109 Å²	109	149.7 Å²	149.7	67%	0.669	81%	0.809	S	S	*	*			trans	-112.3	172.1	179.6	61.2	0	0	0	0	109.3
9	R	30.2	Very low	30	Very low	216 Å²	216	150.9 Å²	150.9	82%	0.815	81%	0.813	S	S	*	*				-178	154.9	50.2	-138	171.6	-167.5	178	4.7	110.7
10	N	29.2	Very low	30	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	81%	0.812	S	S	*	*			trans	33.4	140	145.8	-62.6	4.3	0	0	0	120.9
11	S	27.5	Very low	30	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	81%	0.809	S	S	*	*				-164.9	149.6	64.8	55.9	0	0	0	0	117.8
12	R	28.9	Very low	30.1	Very low	234 Å²	234	143.3 Å²	143.3	88%	0.883	79%	0.785	S	S	*	*			trans	22	127.3	145.5	-65	-179.6	174.7	165.8	-3.3	120
13	S	28.4	Very low	30.2	Very low	94 Å²	94	147.2 Å²	147.2	66%	0.657	79%	0.786	S	S	*	*			cis	94.5	101.8	35	77.1	0	0	0	0	116.3
14	Y	29.9	Very low	30.3	Very low	250 Å²	250	152.6 Å²	152.6	98%	0.98	80%	0.798	S	S	*	*			trans	-172	150.8	152.4	-83.3	-65.8	0	0	0	106.6
15	G	27.5	Very low	30.3	Very low	66 Å²	66	147.8 Å²	147.8	68%	0.68	79%	0.789	S	S	*	*			cis	175.2	149.9	-10.1	0	0	0	0	0	111.9
16	Q	29.5	Very low	30.2	Very low	203 Å²	203	151.4 Å²	151.4	95%	0.949	79%	0.792	S	S	*	*			trans	72.3	144.6	165.4	-62.5	-174.1	-9.7	0	0	121.7
17	Q	27.7	Very low	30.5	Very low	177 Å²	177	155.9 Å²	155.9	83%	0.827	79%	0.793	S	S	*	*			trans	-123.5	-166.9	168.8	-77.9	-118.1	20.2	0	0	105.8
18	P	53.2	Low	30.7	Very low	104 Å²	104	151.5 Å²	151.5	68%	0.675	78%	0.779	S	S	*	*				-123.9	169.3	-50.2	35	-21.7	0	0	0	112
19	I	30.1	Very low	30.8	Very low	173 Å²	173	157 Å²	157	89%	0.887	79%	0.787	S	S	*	*			trans	-140.4	148.5	150.7	-65	-171.4	0	0	0	108.9
20	D	29.8	Very low	30.8	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	79%	0.785	S	S	*	*			trans	-132	-174.5	-178.9	-172.9	13.8	0	0	0	109.4
21	V	30.8	Very low	30.8	Very low	123 Å²	123	151.5 Å²	151.5	75%	0.745	79%	0.787	S	S	*	*			trans	94.5	134.5	164.4	-170	0	0	0	0	118
22	T	30.4	Very low	30.9	Very low	113 Å²	113	155 Å²	155	69%	0.693	79%	0.794	S	S	*	*			trans	-71.1	161.4	-176.3	52.7	0	0	0	0	115.8
23	Q	29	Very low	30.8	Very low	184 Å²	184	149.4 Å²	149.4	86%	0.86	79%	0.791	S	S	*	*				178.7	-177.7	108.1	-94.4	-166.2	32.7	0	0	114.1
24	Q	30.3	Very low	31	Very low	193 Å²	193	152 Å²	152	90%	0.902	80%	0.797	S	S	*	*			trans	-104.5	159.1	-168.5	-55.3	164.7	-57.9	0	0	113.3
25	G	28.7	Very low	31	Very low	68 Å²	68	147.5 Å²	147.5	70%	0.701	79%	0.789	S	S	*	*			trans	135.4	144.8	130.5	0	0	0	0	0	119.7
26	Q	30.3	Very low	31.3	Very low	157 Å²	157	147.9 Å²	147.9	73%	0.734	79%	0.786	S	S	*	*			trans	69.9	151.2	163.1	-53.6	-170.7	30	0	0	116.8
27	R	34.4	Very low	31.3	Very low	199 Å²	199	148 Å²	148	75%	0.751	79%	0.787	S	S	*	*			cis	-154.3	158.3	-16.7	-109.1	166.9	-172.4	162.6	-1.7	105.7
28	D	30.1	Very low	31.3	Very low	119 Å²	119	142.9 Å²	142.9	64%	0.636	78%	0.782	S	S	*	*				-165.4	149.1	65.2	-105	-38.5	0	0	0	111
29	R	31.3	Very low	30.1	Very low	224 Å²	224	150.3 Å²	150.3	85%	0.845	80%	0.796	S	S	*	*				39	130	111.6	-56	174.3	171.3	-173.6	-4.4	115.8
30	S	30.6	Very low	30	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	79%	0.792	S	S	*	*			cis	-170.9	-176.5	-4.5	39.4	0	0	0	0	107.2
31	V	28.9	Very low	29.9	Very low	135 Å²	135	146.9 Å²	146.9	82%	0.818	79%	0.793	S	S	*	*			cis	-147	-177	22.8	-169.5	0	0	0	0	109.2
32	M	28.3	Very low	29.7	Very low	181 Å²	181	145.9 Å²	145.9	89%	0.892	79%	0.792	S	S	*	*			trans	-78.7	166.8	172.9	-67.6	172.2	177.6	0	0	112
33	S	27.8	Very low	29.4	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	80%	0.8	S	S	*	*			cis	-155.3	167	46.6	-171.7	0	0	0	0	115.8
34	L	31.7	Very low	29.2	Very low	149 Å²	149	148.7 Å²	148.7	78%	0.78	80%	0.797	S	S	*	*			trans	-71.4	168.9	171.4	-68.9	164.4	0	0	0	110.7
35	D	31	Very low	29.1	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	79%	0.793	S	S	*	*				-158.2	174.1	55.3	-127.5	-33.2	0	0	0	117.3
36	A	32.6	Very low	29.8	Very low	75 Å²	75	147 Å²	147	62%	0.62	79%	0.791	S	S	*	*			trans	-127	134.5	-173.8	0	0	0	0	0	114.5
37	Q	30.3	Very low	29.7	Very low	204 Å²	204	145.7 Å²	145.7	95%	0.953	80%	0.795	S	S	*	*			trans	-169.8	165.5	150.5	-107	148.6	90.7	0	0	110.4
38	G	28.1	Very low	29.4	Very low	70 Å²	70	141 Å²	141	72%	0.722	79%	0.792	S	S	*	*			trans	-123.9	-171.3	-172.3	0	0	0	0	0	115
39	R	27.3	Very low	29.4	Very low	260 Å²	260	141 Å²	141	98%	0.981	80%	0.796	S	S	*	*			trans	103	148.9	-175.6	-67	-174	167.3	-174	-3.1	115.2
40	S	29.5	Very low	29.3	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	79%	0.788	S	S	*	*			trans	-86.9	146.6	-177	50.6	0	0	0	0	112.8
41	V	25.9	Very low	29.2	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	79%	0.794	S	S	*	*			trans	-135	138.7	150.9	-177.2	0	0	0	0	108.4
42	S	27.7	Very low	29.2	Very low	102 Å²	102	137 Å²	137	71%	0.713	79%	0.786	S	S	*	*			trans	-94.8	151.2	174.9	49.5	0	0	0	0	111.3
43	H	24.8	Very low	29.4	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	78%	0.782	S	S	*	*			trans	-142.5	144.7	157.9	-100.8	-76.8	0	0	0	111.7
44	E	24.1	Very low	29.4	Very low	169 Å²	169	140.2 Å²	140.2	79%	0.79	78%	0.776	S	S	*	*			trans	-107.3	150.5	-175.7	-55.6	173.4	102.6	0	0	111.7
45	C	28.4	Very low	29.2	Very low	121 Å²	121	139 Å²	139	82%	0.818	77%	0.77	S	S	*	*			trans	62.2	-179.2	146.6	-75.5	0	0	0	0	117.2
46	P	43.4	Very low	29	Very low	103 Å²	103	141.2 Å²	141.2	67%	0.669	77%	0.768	S	S	*	*			cis	-132.3	-171.4	0.8	43.1	-26.4	0	0	0	116
47	T	28.6	Very low	29	Very low	131 Å²	131	145 Å²	145	80%	0.804	78%	0.777	S	S	*	*			trans	69.5	149	156.8	49.1	0	0	0	0	119.6
48	S	27.1	Very low	29.2	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	77%	0.767	S	S	*	*			cis	-149.9	156.2	0.2	-140.4	0	0	0	0	116
49	T	29.8	Very low	29.2	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	77%	0.771	S	S	*	*			trans	-35.9	163.7	151.8	-6.6	0	0	0	0	115.6
50	T	30.2	Very low	29.5	Very low	108 Å²	108	140.2 Å²	140.2	66%	0.663	76%	0.76	S	S	*	*			cis	-161.7	152.2	16.8	-39.8	0	0	0	0	111.4	V52	T50-V52 HydrophobicContact CG2-CG2 4.4Å
51	L	27.1	Very low	29.9	Very low	171 Å²	171	140.5 Å²	140.5	90%	0.895	76%	0.759	S	S	*	*				-173.1	168.5	129.7	-102.8	168.5	0	0	0	112.5
52	V	29.7	Very low	30.2	Very low	107 Å²	107	142.8 Å²	142.8	65%	0.648	76%	0.761	S	S	*	*			trans	-146.2	151.2	-147.5	164.2	0	0	0	0	115.1	T50	T50-V52 HydrophobicContact CG2-CG2 4.4Å
53	R	31.6	Very low	30.5	Very low	217 Å²	217	143.1 Å²	143.1	82%	0.819	76%	0.763	S	S	*	*			trans	70	155.7	171.6	-78.7	169.7	174.8	-168.7	1.7	115.1
54	Q	28.1	Very low	30.6	Very low	147 Å²	147	139.1 Å²	139.1	69%	0.687	76%	0.763	S	S	*	*			cis	-160.8	166.9	4.9	-120.4	163	-62.3	0	0	107.6
55	L	28.3	Very low	30.9	Very low	123 Å²	123	136.1 Å²	136.1	64%	0.644	76%	0.76	S	S	*	*			cis	-165	-175.2	-7.3	-141.6	174.7	0	0	0	108.6
56	Y	26.7	Very low	30.8	Very low	203 Å²	203	140.7 Å²	140.7	80%	0.796	77%	0.767	S	S	*	*			trans	80.4	127.2	156.7	-87.6	-68.6	0	0	0	123.1
57	L	32.7	Very low	30.1	Very low	153 Å²	153	139.7 Å²	139.7	80%	0.801	77%	0.767	S	S	*	*			trans	-123.4	143.5	162	-94.2	162.4	0	0	0	108.4
58	P	34	Very low	30.1	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	77%	0.766	S	S	*	*			trans	-111.3	121.5	150	32.7	-22.8	0	0	0	109.7
59	Q	28.4	Very low	30.3	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.813	77%	0.772	S	S	*	*				83.1	129	67.4	-80.6	-69.6	3.5	0	0	114.3
60	I	33.9	Very low	31.2	Very low	146 Å²	146	138.2 Å²	138.2	75%	0.749	78%	0.776	S	S	*	*			trans	-125.5	128.9	-179.1	-61.1	170.2	0	0	0	107.7
61	P	38.3	Very low	31.2	Very low	120 Å²	120	140 Å²	140	78%	0.779	79%	0.787	S	S	*	*			trans	-86.7	121.9	175.1	31.6	-30	0	0	0	112.5
62	Q	31.4	Very low	31.4	Very low	183 Å²	183	137 Å²	137	86%	0.855	78%	0.78	S	S	*	*			trans	-94.9	173.5	139.2	-46.2	-178.5	-10.4	0	0	106.7
63	S	33.2	Very low	31.3	Very low	110 Å²	110	142 Å²	142	77%	0.769	79%	0.793	S	S	*	*			cis	-158.2	159.8	4.9	51.7	0	0	0	0	109.3
64	A	27.9	Very low	31.3	Very low	104 Å²	104	137 Å²	137	86%	0.86	79%	0.792	S	S	*	*			trans	-159.9	140.1	154.7	0	0	0	0	0	109.8
65	S	29.8	Very low	31.2	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	80%	0.795	S	S	*	*			trans	-155.3	115.3	-171.9	56.3	0	0	0	0	114.2
66	F	27.7	Very low	31.2	Very low	218 Å²	218	132 Å²	132	96%	0.956	80%	0.801	S	S	*	*			trans	-158.5	157.6	165.1	-83.1	-90.2	0	0	0	107.3
67	A	28.3	Very low	31.2	Very low	81 Å²	81	127.9 Å²	127.9	67%	0.669	80%	0.802	S	S	*	*			cis	-169.8	173.2	-30	0	0	0	0	0	108.9
68	A	28.2	Very low	31	Very low	94 Å²	94	125.3 Å²	125.3	78%	0.777	80%	0.797	S	S	*	*			trans	61.4	102.9	155.4	0	0	0	0	0	121.2
69	A	30.2	Very low	30.8	Very low	101 Å²	101	125 Å²	125	84%	0.835	80%	0.797	S	S	*	*				74.5	155.7	121.2	0	0	0	0	0	121.5
70	P	49.2	Very low	30.8	Very low	123 Å²	123	121.9 Å²	121.9	80%	0.799	79%	0.794	S	S	*	*			trans	-110.5	165.7	-172.3	41.5	-33.2	0	0	0	114.5
71	T	29.7	Very low	30.7	Very low	146 Å²	146	119.1 Å²	119.1	90%	0.896	79%	0.788	S	S	*	*			trans	-131.4	115.2	162.1	41.7	0	0	0	0	111.8
72	S	31.7	Very low	30.3	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	78%	0.784	S	S	*	*			trans	-84.2	144.4	161.1	53	0	0	0	0	110
73	F	27.3	Very low	30.3	Very low	211 Å²	211	118.2 Å²	118.2	93%	0.925	78%	0.777	S	S	*	*			trans	-146	150.5	156.9	-123.2	-82.3	0	0	0	112.5
74	S	31.8	Very low	30.1	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	78%	0.781	S	S	*	*			trans	-141.2	141.9	-175.9	53.5	0	0	0	0	110.8
75	G	27.5	Very low	30.3	Very low	73 Å²	73	124.7 Å²	124.7	75%	0.753	78%	0.777	S	S	*	*			trans	152.1	123.4	180	0	0	0	0	0	108.6
76	A	27.3	Very low	31.3	Very low	93 Å²	93	125 Å²	125	77%	0.769	78%	0.776	S	S	*	*			cis	91.2	126.4	26.7	0	0	0	0	0	114.8
77	S	27.1	Very low	31.6	Very low	117 Å²	117	120.1 Å²	120.1	82%	0.818	76%	0.764	S	S	*	*			trans	62.5	150.3	168.4	30.2	0	0	0	0	118.1
78	S	28.4	Very low	31.6	Very low	99 Å²	99	126 Å²	126	69%	0.692	77%	0.77	S	S	*	*			cis	-171.3	167.7	-16	48.9	0	0	0	0	110.8
79	S	28.6	Very low	31.8	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	77%	0.771	S	S	*	*			trans	63.2	144	158.8	41.6	0	0	0	0	118.8
80	S	29.5	Very low	32	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	77%	0.765	S	S	*	*			cis	-163.5	-159.8	-10.8	52.9	0	0	0	0	107.7
81	S	30.6	Very low	31.1	Very low	88 Å²	88	132 Å²	132	62%	0.615	77%	0.765	S	S	*	*			cis	-168.8	159.3	5.1	10.6	0	0	0	0	110
82	N	30	Very low	31.2	Very low	128 Å²	128	131.3 Å²	131.3	68%	0.684	76%	0.756	S	S	*	*			trans	68.5	147.1	158.4	-63.3	-0.6	0	0	0	118.5
83	H	31.9	Very low	31.1	Very low	155 Å²	155	132 Å²	132	72%	0.718	76%	0.761	S	S	*	*			cis	-133.3	131.1	-2.8	-88.6	-54.1	0	0	0	108.8
84	H	30.3	Very low	31.5	Very low	182 Å²	182	130 Å²	130	84%	0.843	76%	0.759	S	S	*	*				82.8	132.2	84.9	-107.4	58.4	0	0	0	117
85	H	31.8	Very low	32	Very low	169 Å²	169	130.6 Å²	130.6	78%	0.782	76%	0.76	S	S	*	*			trans	-128.8	159.1	-179.2	-109	-68.9	0	0	0	109.8
86	P	51.1	Low	33.5	Very low	110 Å²	110	132.1 Å²	132.1	71%	0.714	76%	0.757	S	S	*	*				-121	155.2	121.5	-1.7	22.9	0	0	0	110.8
87	V	33.2	Very low	33.8	Very low	116 Å²	116	134.9 Å²	134.9	70%	0.703	76%	0.759	S	S	*	*			cis	100.9	146.8	26.7	173.5	0	0	0	0	113.8
88	Y	28.6	Very low	34	Very low	206 Å²	206	136.7 Å²	136.7	81%	0.808	76%	0.758	S	S	*	*			trans	92.7	135.9	-175	-67.1	-82.5	0	0	0	115.4
89	H	32.5	Very low	34.1	Very low	169 Å²	169	139.6 Å²	139.6	78%	0.782	77%	0.765	S	S	*	*			cis	179.2	172.5	-22.5	-130.3	-90.7	0	0	0	105.3
90	S	33	Very low	34.1	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	77%	0.767	S	S	*	*			trans	-124.8	150.7	175.8	58.4	0	0	0	0	112.7
91	Q	30.5	Very low	34.2	Very low	173 Å²	173	138.8 Å²	138.8	81%	0.808	77%	0.772	S	S	*	*			trans	-176.2	137	144.9	-85.1	-127.8	1.3	0	0	113.9
92	N	31.7	Very low	34.3	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	78%	0.776	S	S	*	*			trans	46	131	140.4	-68.4	-28.1	0	0	0	126.5
93	S	30.1	Very low	34.3	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	78%	0.778	S	S	*	*			trans	80.7	148.8	136.3	57.5	0	0	0	0	123.5
94	L	36.9	Very low	34.3	Very low	168 Å²	168	139.7 Å²	139.7	88%	0.88	78%	0.778	S	S	*	*			trans	-95.9	156.4	-178.1	-65	160.9	0	0	0	111.7
95	P	40.5	Very low	34.3	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	77%	0.771	S	S	*	*				-151.1	178.6	94.9	37.4	-17.9	0	0	0	116.2
96	P	60.8	Low	34.1	Very low	106 Å²	106	132.1 Å²	132.1	69%	0.688	77%	0.771	S	S	*	*			trans	-117.4	172.1	-175.5	42.1	-32.8	0	0	0	115.9
97	N	33.3	Very low	33	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	77%	0.77	S	S	*	*			trans	159.4	175.1	133.6	-86.5	-33.1	0	0	0	116.5
98	L	30.1	Very low	32.9	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	77%	0.767	S	S	*	*			trans	91.6	131.3	166.9	-57.5	174	0	0	0	116.6
99	L	31.2	Very low	32.9	Very low	160 Å²	160	128 Å²	128	84%	0.838	77%	0.767	S	S	*	*			cis	-130.1	152.9	-10.9	-68.4	103.4	0	0	0	108.8
100	G	29.1	Very low	32.7	Very low	77 Å²	77	124 Å²	124	79%	0.794	76%	0.759	S	S	*	*				97.1	141.3	81.1	0	0	0	0	0	111.2
101	S	30.3	Very low	32.4	Very low	123 Å²	123	127.2 Å²	127.2	86%	0.86	77%	0.767	S	S	*	*			cis	-153.1	-178.9	3.2	56.3	0	0	0	0	112.5
102	S	32.3	Very low	32.3	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	77%	0.767	S	S	*	*			trans	-78	-178.9	-170.2	50.6	0	0	0	0	114.9
103	Q	31.7	Very low	32.3	Very low	153 Å²	153	128 Å²	128	72%	0.715	78%	0.775	S	S	*	*			cis	-156.8	169	27.9	-55.5	176.9	-5.6	0	0	114.1
104	N	30.4	Very low	32.3	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	77%	0.768	S	S	*	*			trans	61.6	152.7	141.4	-70	-13.9	0	0	0	121.1
105	S	30.1	Very low	31.9	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	77%	0.769	S	S	*	*			cis	-171.7	152.3	-15	50.1	0	0	0	0	111.6
106	A	28.1	Very low	31.5	Very low	94 Å²	94	133 Å²	133	78%	0.777	78%	0.777	S	S	*	*			trans	62.9	164.2	156	0	0	0	0	0	119.7
107	S	29.1	Very low	30.2	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	79%	0.785	S	S	*	*			cis	-165.8	157.3	-43.3	58.7	0	0	0	0	112.1
108	S	30.1	Very low	31.4	Very low	91 Å²	91	134 Å²	134	64%	0.636	78%	0.783	S	S	*	*			trans	67.1	138.3	146.6	57.6	0	0	0	0	123.3
109	N	28.1	Very low	31.6	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	77%	0.773	S	S	*	*			trans	76.8	151.9	150.3	-61.8	-8.7	0	0	0	121
110	S	28.2	Very low	31.6	Very low	87 Å²	87	131.1 Å²	131.1	61%	0.608	78%	0.778	S	S	*	*			cis	-176.6	137	-32.4	54.6	0	0	0	0	111.6
111	L	27.4	Very low	31.7	Very low	169 Å²	169	130.2 Å²	130.2	89%	0.885	77%	0.769	S	S	*	*			trans	61.2	172.9	164	-64.1	157.5	0	0	0	114.3
112	V	29.4	Very low	31.8	Very low	134 Å²	134	130.8 Å²	130.8	81%	0.812	77%	0.773	S	S	*	*			cis	-140.9	156.3	20.8	169.4	0	0	0	0	110.5
113	Q	30.4	Very low	31.7	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	77%	0.773	S	S	*	*			trans	-96.5	139.1	169.2	-75.6	-173.9	-16.2	0	0	113.5
114	G	29.9	Very low	31.8	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	78%	0.783	S	S	*	*				66.8	135.8	127.3	0	0	0	0	0	121.3
115	H	30.1	Very low	31.9	Very low	197 Å²	197	129.3 Å²	129.3	91%	0.912	78%	0.783	S	S	*	*			trans	-144.4	109.6	165	-103.9	34.1	0	0	0	112.3
116	R	30.3	Very low	32	Very low	255 Å²	255	132.7 Å²	132.7	96%	0.962	79%	0.792	S	S	*	*			trans	-155.5	134.7	150.5	-89.8	-161.2	177.6	-172.7	-1.3	109.5
117	N	34.4	Very low	32.2	Very low	160 Å²	160	133.7 Å²	133.7	86%	0.856	79%	0.789	S	S	*	*			trans	-167.2	174.3	173.5	-121.5	-9.7	0	0	0	106.5
118	P	59.3	Low	32.2	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	80%	0.801	S	S	*	*			cis	-116.8	-160.7	2	39.3	-20.3	0	0	0	110.9
119	A	33	Very low	32.3	Very low	73 Å²	73	140.7 Å²	140.7	60%	0.603	80%	0.799	S	S	*	*			cis	-159.9	159.9	10.5	0	0	0	0	0	113.3
120	L	32.7	Very low	32.5	Very low	181 Å²	181	143.3 Å²	143.3	95%	0.948	80%	0.799	S	S	*	*			trans	58.2	139.1	150.6	-61.1	161.5	0	0	0	119.7
121	G	29.7	Very low	32.6	Very low	59 Å²	59	147.5 Å²	147.5	61%	0.608	81%	0.809	S	S	*	*			cis	169.1	148.4	-8.2	0	0	0	0	0	113
122	S	32.2	Very low	32.8	Very low	134 Å²	134	147.1 Å²	147.1	94%	0.937	80%	0.802	S	S	*	*			trans	60.2	144.5	175.5	66.6	0	0	0	0	118.5
123	G	30.9	Very low	33.7	Very low	70 Å²	70	147 Å²	147	72%	0.722	80%	0.804	S	S	*	*			cis	147.1	111.2	-14.7	0	0	0	0	0	114.4
124	N	33.5	Very low	33.9	Very low	173 Å²	173	143.3 Å²	143.3	93%	0.925	80%	0.799	S	S	*	*			trans	-168.2	162	147	-119.4	-23.2	0	0	0	113.1
125	T	32.7	Very low	34	Very low	117 Å²	117	145.4 Å²	145.4	72%	0.718	80%	0.803	S	S	*	*			trans	-122.8	148.8	-169.4	-46.3	0	0	0	0	111.2
126	L	32.2	Very low	34.2	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	79%	0.794	S	S	*	*			trans	-170	157.6	138.1	-106.7	164.3	0	0	0	112.4
127	T	32.8	Very low	34.2	Very low	115 Å²	115	136.7 Å²	136.7	71%	0.706	79%	0.787	S	S	*	*			trans	-133.6	151.1	-171.4	48.3	0	0	0	0	111.9
128	R	29.6	Very low	33.9	Very low	251 Å²	251	134.5 Å²	134.5	95%	0.947	78%	0.784	S	S	*	*			trans	-163.6	165.6	146.2	-117.8	175.8	-179.5	-173.6	-1.1	112.6
129	S	31	Very low	32.5	Very low	87 Å²	87	134.4 Å²	134.4	61%	0.608	79%	0.786	S	S	*	*			trans	-147.3	176.3	-159.6	-49.1	0	0	0	0	112.2
130	Y	32.1	Very low	32.4	Very low	209 Å²	209	137.2 Å²	137.2	82%	0.82	80%	0.796	S	S	*	*			trans	76	155.6	173.2	-50	-78.3	0	0	0	115.5
131	H	31.7	Very low	32.3	Very low	175 Å²	175	135.7 Å²	135.7	81%	0.81	79%	0.789	S	S	*	*			cis	-144.1	160.4	15.1	-128.5	-72.8	0	0	0	113.1
132	Q	31.7	Very low	32.3	Very low	160 Å²	160	139.2 Å²	139.2	75%	0.748	79%	0.794	S	S	*	*			trans	-105.2	164	156.1	-95.9	-165.3	-8.1	0	0	110.3
133	P	48.5	Very low	32.2	Very low	131 Å²	131	138.3 Å²	138.3	85%	0.851	78%	0.778	S	S	*	*				-139.2	-173.3	113.1	38.9	-26.2	0	0	0	114.8
134	S	33.5	Very low	32	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	79%	0.785	S	S	*	*			trans	-140.5	164.9	-159.6	54.5	0	0	0	0	115.2
135	S	32.2	Very low	31.7	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	77%	0.774	S	S	*	*			trans	-147.5	-165	170.7	63.3	0	0	0	0	112.7
136	T	33.3	Very low	32.9	Very low	115 Å²	115	141.1 Å²	141.1	71%	0.706	78%	0.78	S	S	*	*				-161	155.2	-123.9	36.1	0	0	0	0	116.5
137	N	30.9	Very low	32.6	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	78%	0.778	S	S	*	*			trans	69.2	156.5	155.6	-64.4	-3	0	0	0	117.8
138	S	29.4	Very low	32.5	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	78%	0.781	S	S	*	*			cis	-165.1	167.1	-16.7	44.9	0	0	0	0	111
139	S	29.3	Very low	32.4	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	77%	0.773	S	S	*	*			trans	-97.5	153.8	-174.2	-36.4	0	0	0	0	115.1
140	T	29.6	Very low	32.2	Very low	133 Å²	133	139.7 Å²	139.7	82%	0.816	78%	0.782	S	S	*	*			trans	-170.7	133.8	141.6	25.2	0	0	0	0	114.7
141	N	31.2	Very low	32	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	78%	0.781	S	S	*	*				17.6	158.1	127.7	-67	-3.8	0	0	0	122.8
142	N	30.4	Very low	31.8	Very low	133 Å²	133	132.4 Å²	132.4	71%	0.711	78%	0.782	S	S	*	*			cis	-178.4	175.6	-21.5	-164.6	4	0	0	0	109.3
143	L	29	Very low	31.7	Very low	114 Å²	114	130 Å²	130	60%	0.597	79%	0.789	S	S	*	*			trans	64.2	110.4	151.5	-80.3	157.6	0	0	0	121.7
144	Y	27.7	Very low	31	Very low	224 Å²	224	130 Å²	130	88%	0.878	78%	0.782	S	S	*	*				169.7	168.8	102.3	-100.4	-69.3	0	0	0	111.9
145	G	27.1	Very low	31.5	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	78%	0.778	S	S	*	*			trans	-121.3	-124.3	-164.4	0	0	0	0	0	117.2
146	P	57.9	Low	31.4	Very low	128 Å²	128	131.5 Å²	131.5	83%	0.831	77%	0.773	S	S	*	*				-112.6	168.6	-121	40.2	-34.8	0	0	0	115.1
147	L	26.8	Very low	31.1	Very low	159 Å²	159	132.6 Å²	132.6	83%	0.832	77%	0.774	S	S	*	*			trans	-150.7	146.9	160.3	-113.8	169	0	0	0	112.1
148	V	29	Very low	30.9	Very low	128 Å²	128	130.7 Å²	130.7	78%	0.776	77%	0.768	S	S	*	*			trans	-122.9	132.4	172.9	172.8	0	0	0	0	107.5
149	I	27.8	Very low	30.7	Very low	154 Å²	154	132 Å²	132	79%	0.79	77%	0.766	S	S	*	*			trans	-132.3	140.9	164.9	-61.4	-177.7	0	0	0	107.8
150	N	28.1	Very low	30.4	Very low	149 Å²	149	136 Å²	136	80%	0.797	77%	0.765	S	S	*	*			trans	-135.3	129.9	-176.2	-174.9	20	0	0	0	108.3
151	S	26.7	Very low	30.1	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	76%	0.756	S	S	*	*			trans	-152.6	143.3	173.6	57.4	0	0	0	0	110.9
152	S	28.1	Very low	29.9	Very low	118 Å²	118	136 Å²	136	83%	0.825	76%	0.758	S	S	*	*			trans	-139	142.9	-167.2	55.1	0	0	0	0	112.3
153	A	29.3	Very low	29.6	Very low	108 Å²	108	136.4 Å²	136.4	89%	0.893	77%	0.765	S	S	*	*			trans	-156.4	156.2	159.6	0	0	0	0	0	109.7
154	N	33.7	Very low	29.4	Very low	133 Å²	133	135.2 Å²	135.2	71%	0.711	77%	0.767	S	S	*	*			trans	-125.5	166.3	-173	-154.6	-2.5	0	0	0	108.8
155	P	44.4	Very low	29.3	Very low	104 Å²	104	130.3 Å²	130.3	68%	0.675	77%	0.765	S	S	*	*				-152.9	153.1	85.9	37.7	-18.2	0	0	0	117.9
156	H	30.2	Very low	29.2	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.685	77%	0.769	S	S	*	*			trans	34.4	149.4	130.7	-57.7	-60.7	0	0	0	122.3
157	L	26.7	Very low	27.7	Very low	138 Å²	138	135.3 Å²	135.3	72%	0.723	76%	0.76	S	S	*	*			cis	-167.4	152.5	-1.1	-111	164.9	0	0	0	109.7
158	V	26.3	Very low	27.6	Very low	113 Å²	113	134.7 Å²	134.7	69%	0.685	76%	0.758	S	S	*	*			trans	39.3	125.6	143.5	164.8	0	0	0	0	119.4
159	N	25	Very low	27.4	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	76%	0.76	S	S	*	*				-171.6	-177.3	75.6	-141.8	-15.4	0	0	0	117.4
160	Y	23.6	Very low	27.3	Very low	198 Å²	198	129.2 Å²	129.2	78%	0.776	75%	0.752	S	S	*	*			trans	-48.2	151.2	173	-88	-125.7	0	0	0	115.6
161	V	24.1	Very low	27.2	Very low	106 Å²	106	132.2 Å²	132.2	64%	0.642	75%	0.753	S	S	*	*			cis	94.3	121	42.2	166.8	0	0	0	0	114.4
162	Q	25.6	Very low	27.2	Very low	176 Å²	176	135 Å²	135	82%	0.822	75%	0.753	S	S	*	*			trans	61.8	149.2	166.8	-73.3	170.4	-25.1	0	0	116.6
163	T	23.6	Very low	27.5	Very low	142 Å²	142	138.2 Å²	138.2	87%	0.871	75%	0.753	S	S	*	*				-154	-169.6	54.9	39.2	0	0	0	0	114.2
164	S	26.1	Very low	27.6	Very low	90 Å²	90	139.1 Å²	139.1	63%	0.629	75%	0.75	S	S	*	*			trans	-108.9	151.2	-165	54.2	0	0	0	0	116
165	S	24.6	Very low	27.6	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	76%	0.756	S	S	*	*			trans	-144.1	122.9	149.5	-59.5	0	0	0	0	107.5
166	F	25.9	Very low	26.8	Very low	179 Å²	179	136.9 Å²	136.9	79%	0.785	76%	0.758	S	S	*	*				93.2	125.3	50.7	-95.2	-77.4	0	0	0	115.5
167	D	26	Very low	26.6	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	77%	0.77	S	S	*	*			trans	68.1	120.3	155.8	-82.5	-45.6	0	0	0	125.3
168	N	25.8	Very low	26.7	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	77%	0.77	S	S	*	*				38.2	132.7	122.2	-77.8	-53.1	0	0	0	122.4
169	G	24.7	Very low	26.7	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	78%	0.778	S	S	*	*			trans	-168.4	125.1	161	0	0	0	0	0	111
170	S	24.9	Very low	26.9	Very low	88 Å²	88	141.9 Å²	141.9	62%	0.615	78%	0.782	S	S	*	*			trans	-134.4	153.2	-167.2	-57.2	0	0	0	0	112.5
171	Y	27	Very low	27.2	Very low	211 Å²	211	141.3 Å²	141.3	83%	0.827	79%	0.786	S	S	*	*			trans	65.6	165.9	172.9	-52	-75.1	0	0	0	114.3
172	E	25.1	Very low	27.5	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	79%	0.794	S	S	*	*			cis	-148.6	-177.4	-0.9	-145.4	155.3	-157.3	0	0	111.9
173	F	34.9	Very low	27.7	Very low	186 Å²	186	149.7 Å²	149.7	82%	0.816	80%	0.798	S	S	*	*			trans	-70.5	161.9	168.9	-88.9	-96.2	0	0	0	112
174	P	32.5	Very low	28.1	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	80%	0.8	S	S	*	*				-137.7	166	109.1	38.5	-29.7	0	0	0	114.6
175	S	32.1	Very low	28.2	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	81%	0.81	S	S	*	*			trans	-118.1	147.7	173	55.2	0	0	0	0	111.4
176	G	27.2	Very low	28.3	Very low	70 Å²	70	148.3 Å²	148.3	72%	0.722	80%	0.804	S	S	*	*			trans	174.1	112.2	174.8	0	0	0	0	0	108.5
177	Q	26.7	Very low	28.6	Very low	197 Å²	197	145.3 Å²	145.3	92%	0.921	81%	0.805	S	S	*	*				74.2	102.5	65.4	-70.8	-152.9	6	0	0	115.7
178	A	28.6	Very low	28.9	Very low	89 Å²	89	147.4 Å²	147.4	74%	0.736	81%	0.811	S	S	*	*			trans	84.8	156.3	134.2	0	0	0	0	0	121.4
179	Q	27	Very low	29.3	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	81%	0.812	S	S	*	*			trans	67.9	110.9	171.7	-55	-177.1	5.5	0	0	116.1
180	Q	30.1	Very low	29.6	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	81%	0.808	S	S	*	*			cis	88.5	106	36.4	-171.4	-169.7	57.8	0	0	114.2
181	Q	28.6	Very low	29.8	Very low	185 Å²	185	154.8 Å²	154.8	86%	0.864	81%	0.814	S	S	*	*			trans	-162.3	170.3	141.3	-113.9	171.9	79.9	0	0	114.5
182	R	31.4	Very low	30.1	Very low	215 Å²	215	149 Å²	149	81%	0.811	81%	0.81	S	S	*	*			trans	-106.2	147.9	-151.9	-61.7	168.1	-78.2	-154.7	-6.6	115.3
183	R	29.5	Very low	31.7	Very low	243 Å²	243	146.1 Å²	146.1	92%	0.917	81%	0.805	S	S	*	*			trans	-147.2	119.4	133.1	-65.2	-165.5	180	-160.2	-0.8	106.7
184	L	31	Very low	31.4	Very low	172 Å²	172	145 Å²	145	90%	0.901	81%	0.807	S	S	*	*				80.1	112.1	61.9	-73.6	173.9	0	0	0	114.5
185	G	27.8	Very low	31.4	Very low	83 Å²	83	146.6 Å²	146.6	86%	0.856	80%	0.804	S	S	*	*			trans	144.1	106.1	157.8	0	0	0	0	0	118.3
186	G	28.5	Very low	31.3	Very low	69 Å²	69	148.5 Å²	148.5	71%	0.711	80%	0.799	S	S	*	*			trans	78.2	129.4	166	0	0	0	0	0	116.7
187	S	32.2	Very low	31.5	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	80%	0.802	S	S	*	*			cis	73.6	127.7	38.1	82.9	0	0	0	0	113.7
188	Q	31.8	Very low	31.7	Very low	166 Å²	166	146 Å²	146	78%	0.776	79%	0.793	S	S	*	*			cis	-137.2	153.7	16.7	-60.5	173.3	-26.1	0	0	111.2
189	Q	33	Very low	31.8	Very low	171 Å²	171	147 Å²	147	80%	0.799	80%	0.795	S	S	*	*				46.9	142.6	107	-54.1	-177.6	-13.2	0	0	116.8
190	H	30.7	Very low	32.1	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.727	79%	0.789	S	S	*	*			cis	-152.9	174.1	10.8	-146.7	-118.8	0	0	0	112.7
191	L	29.6	Very low	32	Very low	142 Å²	142	142.1 Å²	142.1	74%	0.743	79%	0.787	S	S	*	*			trans	-53.9	173.7	173.2	-63.7	112	0	0	0	115.4
192	A	34.7	Very low	32	Very low	90 Å²	90	143.4 Å²	143.4	74%	0.744	79%	0.786	S	S	*	*			cis	-158.9	-176.3	23.1	0	0	0	0	0	113.3
193	P	57.2	Low	31.9	Very low	110 Å²	110	138.7 Å²	138.7	71%	0.714	79%	0.785	S	S	*	*			trans	-113.2	-178.6	-168.4	42.8	-34.6	0	0	0	115.4
194	L	28.5	Very low	32	Very low	162 Å²	162	134.1 Å²	134.1	85%	0.848	78%	0.78	S	S	*	*				-176	162.7	128.2	-99.7	163.1	0	0	0	116.7
195	Q	32.3	Very low	32.7	Very low	161 Å²	161	131 Å²	131	75%	0.752	77%	0.769	S	S	*	*			trans	-94.3	-173.5	-159.6	-171.6	-178.3	19.1	0	0	114.3
196	Q	30.7	Very low	32.8	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	77%	0.767	S	S	*	*			trans	90.2	164.7	159.8	-57.2	-173.9	19.4	0	0	118.5
197	T	30.8	Very low	32.8	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	77%	0.766	S	S	*	*				-167.7	162.6	-74.4	23.2	0	0	0	0	110.6
198	A	31.8	Very low	32.6	Very low	89 Å²	89	136.1 Å²	136.1	74%	0.736	76%	0.762	S	S	*	*			trans	77.8	104.5	156.8	0	0	0	0	0	122.1
199	S	31.7	Very low	32.5	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	76%	0.762	S	S	*	*				60.5	115.1	111	-52.8	0	0	0	0	124.5
200	S	32.1	Very low	32.4	Very low	105 Å²	105	130 Å²	130	73%	0.734	76%	0.757	S	S	*	*				97.3	153.7	110.5	71.1	0	0	0	0	124.4
201	L	28.1	Very low	32.5	Very low	152 Å²	152	130.9 Å²	130.9	80%	0.796	76%	0.761	S	S	*	*			trans	107.9	150.1	157.2	-55.4	-179.8	0	0	0	120.6
202	Y	29.6	Very low	32.6	Very low	212 Å²	212	130.4 Å²	130.4	83%	0.831	76%	0.758	S	S	*	*			trans	-56.9	175.6	-171.3	-64.4	-103.8	0	0	0	116.1
203	S	27.9	Very low	32.3	Very low	115 Å²	115	134 Å²	134	80%	0.804	76%	0.764	S	S	*	*			cis	-158.4	170.9	27.3	-40	0	0	0	0	114.7
204	N	32.7	Very low	30.8	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	76%	0.763	S	S	*	*			trans	-81.2	160.9	166.6	-161.9	10.2	0	0	0	111.1
205	P	45.1	Very low	30.9	Very low	105 Å²	105	133.1 Å²	133.1	68%	0.682	76%	0.764	S	S	*	*				-158.9	168.2	95.4	43	-23.6	0	0	0	119
206	Q	29.7	Very low	30.8	Very low	175 Å²	175	133 Å²	133	82%	0.818	76%	0.764	S	S	*	*			trans	20.6	160.3	135.1	-64	-176.2	-7.7	0	0	123
207	S	29.7	Very low	30.7	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	77%	0.765	S	S	*	*			cis	-176.7	-166.1	-17.5	63.6	0	0	0	0	110.4
208	S	27.3	Very low	30.6	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	76%	0.756	S	S	*	*			trans	95	137.3	-179.5	-45.8	0	0	0	0	114.7
209	S	29.8	Very low	30.4	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	76%	0.763	S	S	*	*			cis	79.1	134.2	34.5	-49.3	0	0	0	0	112.3
210	S	31.2	Very low	30.2	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	77%	0.765	S	S	*	*			cis	-163.8	166.2	16.5	-24.3	0	0	0	0	113.2
211	Q	31.3	Very low	30.7	Very low	174 Å²	174	138 Å²	138	81%	0.813	76%	0.759	S	S	*	*			trans	66.6	163.5	148.2	-66.5	-179.5	1.3	0	0	119
212	L	31.5	Very low	30.6	Very low	132 Å²	132	138.5 Å²	138.5	69%	0.691	76%	0.763	S	S	*	*			cis	-160.7	147.3	-20.3	-111.5	168	0	0	0	113.4
213	L	28.5	Very low	30.4	Very low	166 Å²	166	137.4 Å²	137.4	87%	0.869	76%	0.759	S	S	*	*			trans	74.8	135.3	136.4	-154.4	68.3	0	0	0	124.7
214	G	27.3	Very low	30.4	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	76%	0.76	S	S	*	*			trans	97.8	141.2	156.5	0	0	0	0	0	115.8
215	Q	30.5	Very low	30	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	76%	0.759	S	S	*	*			cis	-140.4	150.8	-10.1	-74.3	-175.3	-5.3	0	0	107.9
216	Q	29.2	Very low	29	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	77%	0.77	S	S	*	*				25.3	135.2	101.1	-65.3	-162.5	40.3	0	0	115.8
217	Q	29.5	Very low	28.8	Very low	166 Å²	166	142.8 Å²	142.8	78%	0.776	77%	0.768	S	S	*	*			cis	-165.4	168.4	-0.3	-106.1	-164.2	84.6	0	0	107.1
218	A	27.7	Very low	28.7	Very low	72 Å²	72	143.6 Å²	143.6	60%	0.595	77%	0.773	S	S	*	*			cis	-169.1	-162.1	-10.7	0	0	0	0	0	109.5
219	V	28.1	Very low	28.6	Very low	144 Å²	144	146.5 Å²	146.5	87%	0.873	78%	0.78	S	S	*	*			trans	78	147.3	164.9	-168.8	0	0	0	0	117.3
220	R	27	Very low	28.7	Very low	219 Å²	219	146.9 Å²	146.9	83%	0.826	78%	0.78	S	S	*	*			trans	-127.5	-169.5	-177.8	-38.4	171	168.9	174.4	-4.8	109.2
221	P	42.4	Very low	28.4	Very low	94 Å²	94	153.8 Å²	153.8	61%	0.61	79%	0.791	S	S	*	*			cis	-128.3	176.1	-24.7	36.9	-22.1	0	0	0	112.5
222	N	26.4	Very low	28.2	Very low	164 Å²	164	154 Å²	154	88%	0.877	79%	0.792	S	S	*	*				-154.3	154.6	120.7	-130.4	-27	0	0	0	112.7
223	Y	26.3	Very low	28	Very low	188 Å²	188	156.2 Å²	156.2	74%	0.737	80%	0.798	S	S	*	*			trans	-104	137.1	-176.9	-78	-100.9	0	0	0	111.6
224	A	26.7	Very low	27.9	Very low	101 Å²	101	156.7 Å²	156.7	84%	0.835	80%	0.796	S	S	*	*			trans	-129.5	122.9	161.4	0	0	0	0	0	109
225	Y	24.3	Very low	27.9	Very low	198 Å²	198	160.5 Å²	160.5	78%	0.776	80%	0.799	S	S	*	*			trans	-79.4	129	178.7	-99.8	-113.5	0	0	0	110.8	Q227	Y225-Q227 HydrophobicContact CD1-CG 4.49Å
226	Q	24.6	Very low	27.7	Very low	193 Å²	193	159.5 Å²	159.5	90%	0.902	80%	0.8	S	S	*	*			trans	-141.2	102.9	161.5	-147.8	172.5	30.5	0	0	110.1	S228	Q226-S228 PolarHBondContact O-N 2.78Å
227	Q	26.3	Very low	27.6	Very low	165 Å²	165	155 Å²	155	77%	0.771	79%	0.785	S	S	*	*			trans	-84.1	106.3	179.7	-70.7	-174.4	-2.3	0	0	110.8	Y225 L229	Y225-Q227 HydrophobicContact CD1-CG 4.49Å; Q227-L229 PolarHBondContact O-N 3.38Å
228	S	25.9	Very low	28	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	78%	0.777	S	S	*	*			trans	-81.3	111.2	170.6	57.9	0	0	0	0	111.1	Q226	Q226-S228 PolarHBondContact O-N 2.78Å
229	L	27.1	Very low	27.9	Very low	164 Å²	164	157.4 Å²	157.4	86%	0.859	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.1	130.5	172	-71.9	163.7	0	0	0	110.8	Q227	Q227-L229 PolarHBondContact O-N 3.38Å
230	P	30.2	Very low	27.9	Very low	119 Å²	119	157 Å²	157	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.9	138	176.7	28.2	-33.5	0	0	0	111.6
231	R	25.2	Very low	27.9	Very low	244 Å²	244	152.4 Å²	152.4	92%	0.921	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-60	134.5	178.4	-77	177.9	167.5	176	-5.4	111.7
232	Q	28.1	Very low	27.1	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-70.9	128.4	165.1	-67.9	179.5	-11	0	0	109.9
233	Q	26.9	Very low	27	Very low	177 Å²	177	153.3 Å²	153.3	83%	0.827	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-86.9	123.5	166.7	-70.3	-177.8	-12	0	0	109.2
234	H	27.2	Very low	27.1	Very low	177 Å²	177	154 Å²	154	82%	0.819	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.2	123.2	172.4	-83	-101.5	0	0	0	110.1
235	I	25.4	Very low	27	Very low	146 Å²	146	152.7 Å²	152.7	75%	0.749	78%	0.778	S	S	*	*			trans	-119.4	121.2	166.5	-61	179.9	0	0	0	107.8	S237	I235-S237 PolarHBondContact O-N 3.22Å
236	N	26.3	Very low	27.2	Very low	166 Å²	166	149.8 Å²	149.8	89%	0.888	78%	0.781	S	S	*	*			trans	-67.1	125	177.2	-75.3	-41	0	0	0	110.1
237	S	28.9	Very low	27.2	Very low	64 Å²	64	147.3 Å²	147.3	45%	0.448	78%	0.779	S	S	.	*			trans	-113.9	133.1	179	58.9	0	0	0	0	112.6	I235	I235-S237 PolarHBondContact O-N 3.22Å
238	H	37.8	Very low	27.2	Very low	131 Å²	131	150.9 Å²	150.9	61%	0.606	79%	0.786	S	S	*	*			trans	60.4	81.1	169.1	-50.7	-63.3	0	0	0	117.1
239	Q	24.3	Very low	27.1	Very low	158 Å²	158	149 Å²	149	74%	0.738	79%	0.785	S	S	*	*			trans	-75.4	125.9	130.9	-71.1	-173.8	-2.4	0	0	108.5	Q241	Q239-Q241 HydrophobicContact CB-CG 4.33Å
240	T	28.1	Very low	27.3	Very low	136 Å²	136	147.7 Å²	147.7	83%	0.834	79%	0.786	S	S	*	*			trans	-98.9	89.6	161.9	-53	0	0	0	0	107.2
241	Q	27.2	Very low	27.2	Very low	123 Å²	123	148.1 Å²	148.1	58%	0.575	79%	0.786	S	S	*	*			trans	-79	123.1	173.6	-65.5	-160.5	20.7	0	0	109.8	Q239 F243	Q239-Q241 HydrophobicContact CB-CG 4.33Å; Q241-F243 HydrophobicContact CB-CD2 4.38Å; Q241-F243 PolarHBondContact O-N 3.12Å; Q241-F243 VanDerWaalsContact OE1-CE2 3.27Å
242	A	26.2	Very low	27.2	Very low	96 Å²	96	144.3 Å²	144.3	79%	0.793	78%	0.784	S	S	*	*			trans	-86	97.6	167.1	0	0	0	0	0	108.6
243	F	24	Very low	27.2	Very low	180 Å²	180	141.7 Å²	141.7	79%	0.789	79%	0.786	S	S	*	*			trans	-80.7	130.5	174.3	-109.7	-82.8	0	0	0	111	Q241	Q241-F243 HydrophobicContact CB-CD2 4.38Å; Q241-F243 PolarHBondContact O-N 3.12Å; Q241-F243 VanDerWaalsContact OE1-CE2 3.27Å
244	F	27.6	Very low	27.1	Very low	203 Å²	203	139.5 Å²	139.5	89%	0.89	78%	0.784	S	S	*	*			trans	-77.7	141.5	163.5	-82.8	-103.1	0	0	0	109.4
245	G	24.6	Very low	27	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	79%	0.789	S	S	*	*			trans	-160.4	99.4	177.1	0	0	0	0	0	111.1
246	T	28.4	Very low	27.1	Very low	137 Å²	137	139.7 Å²	139.7	84%	0.84	79%	0.792	S	S	*	*			trans	-91.3	118.9	178.4	-54.6	0	0	0	0	109.7
247	V	26.3	Very low	27.1	Very low	142 Å²	142	138.3 Å²	138.3	86%	0.861	79%	0.789	S	S	*	*			trans	-130.6	139.3	171.5	-176.9	0	0	0	0	109
248	R	25.1	Very low	27.1	Very low	240 Å²	240	141 Å²	141	91%	0.906	80%	0.803	S	S	*	*			trans	-110.4	146.3	-177	-84.1	-176.8	168	-173.7	-2.7	112.3
249	G	25.1	Very low	26.5	Very low	75 Å²	75	140.9 Å²	140.9	77%	0.773	81%	0.814	S	S	*	*			trans	94.6	171.1	151.6	0	0	0	0	0	116.8
250	P	31.2	Very low	26.7	Very low	135 Å²	135	141.6 Å²	141.6	88%	0.877	82%	0.822	S	S	*	*			cis	-110.9	169.9	-17.2	38.3	-27.6	0	0	0	112.5
251	T	26.9	Very low	26.7	Very low	129 Å²	129	146.3 Å²	146.3	79%	0.791	82%	0.824	S	S	*	*			trans	-104.5	132.6	176.3	48.5	0	0	0	0	111.7
252	N	25.5	Very low	26.7	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	84%	0.837	S	S	*	*			trans	-174.8	115.7	141.6	-101.9	-12.1	0	0	0	113.2
253	S	27.8	Very low	26.9	Very low	125 Å²	125	146.4 Å²	146.4	87%	0.874	84%	0.839	S	S	*	*			trans	174.1	139	132.3	41	0	0	0	0	109.3
254	T	25	Very low	27.2	Very low	130 Å²	130	146.5 Å²	146.5	80%	0.798	84%	0.839	S	S	*	*			trans	-92.1	146.1	-172.8	43	0	0	0	0	112.4
255	N	26.6	Very low	27.5	Very low	169 Å²	169	141.6 Å²	141.6	90%	0.904	83%	0.826	S	S	*	*			trans	-153.6	146.5	148.2	-106.9	-45.5	0	0	0	110.5
256	I	25.8	Very low	28	Very low	159 Å²	159	145.8 Å²	145.8	82%	0.815	83%	0.828	S	S	*	*			trans	-96.7	130.4	-165.7	-61.6	170.8	0	0	0	110.5
257	V	26.5	Very low	28.4	Very low	137 Å²	137	146 Å²	146	83%	0.83	82%	0.823	S	S	*	*			trans	-138.1	138.2	165	-176.4	0	0	0	0	109.1
258	T	28.7	Very low	28.7	Very low	120 Å²	120	144.2 Å²	144.2	74%	0.736	81%	0.808	S	S	*	*			trans	-72	151.5	-175.9	27.8	0	0	0	0	113.8	L260	T258-L260 PolarHBondContact O-N 2.99Å
259	P	26.4	Very low	29.2	Very low	129 Å²	129	138.3 Å²	138.3	84%	0.838	80%	0.798	S	S	*	*			trans	-78.8	109	-173.9	30.5	-34.6	0	0	0	112.8	R261	P259-R261 PolarHBondContact O-N 3.39Å
260	L	28	Very low	29.5	Very low	173 Å²	173	142.5 Å²	142.5	91%	0.906	80%	0.802	S	S	*	*			trans	-84.2	110.2	170.5	-83.9	168.2	0	0	0	112	T258	T258-L260 PolarHBondContact O-N 2.99Å
261	R	28.1	Very low	29.5	Very low	234 Å²	234	139.9 Å²	139.9	88%	0.883	79%	0.792	S	S	*	*			trans	9.1	115.9	158.7	-150.6	173.1	-164.7	164	3.6	117.2	P259 S263	P259-R261 PolarHBondContact O-N 3.39Å; R261-S263 PolarHBondContact O-N 3.33Å
262	A	28.1	Very low	29.8	Very low	103 Å²	103	139.5 Å²	139.5	85%	0.851	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-56	133.4	177	0	0	0	0	0	113.2
263	S	30.3	Very low	30	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-99.5	134.9	175.9	-65.7	0	0	0	0	110.9	R261	R261-S263 PolarHBondContact O-N 3.33Å
264	K	28.9	Very low	30.1	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.787	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.6	152.8	-174.5	-63	-172.8	178	-171.9	0	113
265	T	34.5	Very low	30.3	Very low	100 Å²	100	143.8 Å²	143.8	61%	0.613	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.2	164	177.5	48.3	0	0	0	0	112.2	I267	T265-I267 PolarHBondContact O-N 2.9Å
266	M	34.1	Very low	30.5	Very low	161 Å²	161	142.4 Å²	142.4	79%	0.793	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	1.1	-169.2	-164.4	176	-74.3	0	0	115.6
267	I	37.4	Very low	30.6	Very low	143 Å²	143	141.6 Å²	141.6	73%	0.733	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-31.8	-173.8	-74	173.3	0	0	0	112.4	T265 V269	T265-I267 PolarHBondContact O-N 2.9Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 2.98Å
268	D	33.2	Very low	30.7	Very low	103 Å²	103	139.6 Å²	139.6	55%	0.551	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	1.8	-168.5	-58.3	-17.7	0	0	0	115
269	V	34.9	Very low	30.7	Very low	116 Å²	116	137.8 Å²	137.8	70%	0.703	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-1.4	-166.6	-173.7	0	0	0	0	113.1	I267	I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 2.98Å
270	L	32.7	Very low	30.7	Very low	164 Å²	164	141 Å²	141	86%	0.859	79%	0.786	S	S	*	*	S	Bend	trans	-139.1	27.3	-173.2	-70.3	176.5	0	0	0	114.7
271	A	30.7	Very low	30.7	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-95.3	130.8	170	0	0	0	0	0	110.7
272	P	32	Very low	30.8	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.2	135.2	173.1	30.9	-32.8	0	0	0	110.6
273	V	31	Very low	30.8	Very low	127 Å²	127	131.3 Å²	131.3	77%	0.77	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.8	143.2	168.7	178.5	0	0	0	0	109
274	R	30.2	Very low	30.8	Very low	231 Å²	231	134 Å²	134	87%	0.872	78%	0.777	S	S	*	*			trans	-104.5	126.5	164.2	-75.5	-178.8	170.8	178.9	-4.3	108
275	D	29	Very low	31.6	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	78%	0.775	S	S	*	*			trans	-71.7	141.7	173.7	-57.1	-59.8	0	0	0	111
276	T	29.7	Very low	31.4	Very low	139 Å²	139	133.7 Å²	133.7	85%	0.853	79%	0.786	S	S	*	*			trans	-122.9	125.6	168.5	-57.8	0	0	0	0	107.4
277	V	28.6	Very low	31.2	Very low	142 Å²	142	133 Å²	133	86%	0.861	79%	0.791	S	S	*	*			trans	-88.9	122.9	-168.8	179.5	0	0	0	0	111.9
278	A	28.2	Very low	30.7	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	78%	0.783	S	S	*	*			trans	-165.5	157.4	154.2	0	0	0	0	0	110
279	A	28	Very low	30.5	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	80%	0.795	S	S	*	*			cis	-179.6	137.9	-42.4	0	0	0	0	0	106.8
280	Q	27.8	Very low	30.3	Very low	197 Å²	197	130.3 Å²	130.3	92%	0.921	80%	0.801	S	S	*	*			trans	66.2	158.5	172.2	-56.3	175.9	5.2	0	0	116.6
281	A	27.6	Very low	30.1	Very low	75 Å²	75	127.9 Å²	127.9	62%	0.62	80%	0.798	S	S	*	*			cis	-167	164	-32.5	0	0	0	0	0	110.9
282	T	29.8	Very low	30.1	Very low	152 Å²	152	128.9 Å²	128.9	93%	0.933	80%	0.8	S	S	*	*			trans	71.5	150.7	163.2	75.9	0	0	0	0	118.9
283	G	27.5	Very low	30.2	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	80%	0.804	S	S	*	*			trans	139.4	92.6	169.1	0	0	0	0	0	116.6
284	L	30.8	Very low	30.1	Very low	177 Å²	177	127.7 Å²	127.7	93%	0.927	80%	0.797	S	S	*	*			trans	-76.2	178	-177.9	-86.8	165.3	0	0	0	114.7
285	P	45.5	Very low	30.2	Very low	115 Å²	115	123 Å²	123	75%	0.747	80%	0.8	S	S	*	*			trans	-118.5	-171.2	-132.1	46.9	-41.9	0	0	0	119.1
286	N	31.7	Very low	30.3	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	80%	0.797	S	S	*	*			trans	-30.9	142.2	173	-82	-9.2	0	0	0	120.7
287	V	28.9	Very low	30.4	Very low	147 Å²	147	121.4 Å²	121.4	89%	0.891	79%	0.794	S	S	*	*			trans	-148.9	144.9	141.1	-176.1	0	0	0	0	106.5
288	G	27.4	Very low	30.6	Very low	54 Å²	54	119.6 Å²	119.6	56%	0.557	79%	0.788	S	S	*	*			cis	-170.3	149.7	-5.6	0	0	0	0	0	109
289	T	28.9	Very low	30.7	Very low	132 Å²	132	120.9 Å²	120.9	81%	0.81	79%	0.791	S	S	*	*				89.2	147.3	87.2	53.7	0	0	0	0	116.6
290	S	29.9	Very low	31	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	80%	0.802	S	S	*	*			trans	76.5	142.7	177.1	76.3	0	0	0	0	117.6
291	S	28.3	Very low	31.2	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	79%	0.794	S	S	*	*			cis	-159.5	163.5	-17.3	46.3	0	0	0	0	113.4
292	S	32	Very low	31.4	Very low	102 Å²	102	121 Å²	121	71%	0.713	81%	0.809	S	S	*	*			trans	-72.8	-172.5	174	52.4	0	0	0	0	112.8
293	N	33.6	Very low	31.5	Very low	161 Å²	161	116.6 Å²	116.6	86%	0.861	79%	0.793	S	S	*	*			cis	-168.6	170.2	27.8	-148.8	2.9	0	0	0	114.6
294	G	29.7	Very low	31.7	Very low	61 Å²	61	119.2 Å²	119.2	63%	0.629	80%	0.799	S	S	*	*			trans	95.4	145.5	163.4	0	0	0	0	0	116.9
295	S	30.4	Very low	31.5	Very low	133 Å²	133	114.6 Å²	114.6	93%	0.93	80%	0.795	S	S	*	*			cis	-153.1	168.5	1.4	-68.1	0	0	0	0	111.9
296	S	33	Very low	30.8	Very low	106 Å²	106	112.7 Å²	112.7	74%	0.741	80%	0.796	S	S	*	*			trans	-134.9	159.2	-165.6	58.4	0	0	0	0	115.2
297	N	30.9	Very low	30.8	Very low	150 Å²	150	111.8 Å²	111.8	80%	0.802	80%	0.802	S	S	*	*			trans	-179.4	121.8	147.5	-99.5	-5.8	0	0	0	110.2
298	S	33.3	Very low	30.7	Very low	103 Å²	103	108.5 Å²	108.5	72%	0.72	80%	0.798	S	S	*	*				94.8	140	78.5	73.8	0	0	0	0	112.5
299	S	30.1	Very low	30.9	Very low	122 Å²	122	111.1 Å²	111.1	85%	0.853	81%	0.807	S	S	*	*			cis	-162.8	-174.2	-1.5	46.3	0	0	0	0	110.4
300	S	33.5	Very low	30.9	Very low	129 Å²	129	112 Å²	112	90%	0.902	81%	0.807	S	S	*	*			trans	-148	170.1	-165.4	57.8	0	0	0	0	116.5
301	G	32.3	Very low	31	Very low	73 Å²	73	113.9 Å²	113.9	75%	0.753	80%	0.804	S	S	*	*			trans	121.5	160.9	173.4	0	0	0	0	0	114
302	V	32.8	Very low	31	Very low	156 Å²	156	113.9 Å²	113.9	95%	0.945	80%	0.799	S	S	*	*			cis	-161.1	157.5	-4.6	-179.2	0	0	0	0	105.9
303	G	30.5	Very low	30.9	Very low	58 Å²	58	118.1 Å²	118.1	60%	0.598	81%	0.808	S	S	*	*			cis	168.8	-170.9	-1.2	0	0	0	0	0	110.8
304	S	31.2	Very low	30.6	Very low	134 Å²	134	115.5 Å²	115.5	94%	0.937	80%	0.802	S	S	*	*			trans	66.5	154.4	179.4	-53.7	0	0	0	0	116.7
305	G	28	Very low	30.6	Very low	81 Å²	81	120.9 Å²	120.9	84%	0.835	82%	0.815	S	S	*	*			cis	124	127.6	-5.3	0	0	0	0	0	113.3
306	G	29.8	Very low	30.4	Very low	75 Å²	75	118 Å²	118	77%	0.773	81%	0.807	S	S	*	*			cis	173.2	-175.4	-4.8	0	0	0	0	0	113.6
307	S	32.4	Very low	30.1	Very low	139 Å²	139	116.5 Å²	116.5	97%	0.972	81%	0.808	S	S	*	*			trans	77	144.3	166.1	-57.9	0	0	0	0	121.9
308	G	27.6	Very low	30.8	Very low	78 Å²	78	114.7 Å²	114.7	80%	0.804	80%	0.804	S	S	*	*			trans	124.4	147.3	160.7	0	0	0	0	0	116.8
309	S	31.4	Very low	30.6	Very low	109 Å²	109	116.3 Å²	116.3	76%	0.762	81%	0.805	S	S	*	*				-161.4	134	-118.8	-173.3	0	0	0	0	114.6
310	L	29.2	Very low	30.6	Very low	151 Å²	151	118.4 Å²	118.4	79%	0.791	80%	0.798	S	S	*	*			trans	42.1	139.1	146.9	-78.8	156.9	0	0	0	125
311	M	31.2	Very low	30.3	Very low	158 Å²	158	119.8 Å²	119.8	78%	0.778	79%	0.79	S	S	*	*			trans	93.4	117.8	140.8	-80.7	-167.3	178.8	0	0	124.4
312	T	28.8	Very low	30	Very low	112 Å²	112	122.7 Å²	122.7	69%	0.687	79%	0.788	S	S	*	*			trans	55.5	131	135	63.4	0	0	0	0	122.7
313	Q	28.6	Very low	29.7	Very low	192 Å²	192	120.7 Å²	120.7	90%	0.897	78%	0.781	S	S	*	*				-170.7	-175.6	99.4	-99.3	-176.3	44.4	0	0	112
314	S	28.4	Very low	29.5	Very low	105 Å²	105	121.8 Å²	121.8	73%	0.734	78%	0.784	S	S	*	*			trans	-140.1	151.9	-171.9	174.8	0	0	0	0	111.1
315	I	28.8	Very low	29.3	Very low	174 Å²	174	120.8 Å²	120.8	89%	0.892	78%	0.777	S	S	*	*			trans	168.2	144.7	143.8	-90.5	154.2	0	0	0	110.5
316	G	26.9	Very low	29.3	Very low	74 Å²	74	125 Å²	125	76%	0.763	78%	0.775	S	S	*	*			trans	123.2	106.6	155.7	0	0	0	0	0	117.8
317	G	26.3	Very low	29.1	Very low	74 Å²	74	126.4 Å²	126.4	76%	0.763	77%	0.773	S	S	*	*			trans	-96.3	-166.6	154	0	0	0	0	0	110.9
318	P	45.8	Very low	28.9	Very low	112 Å²	112	125.2 Å²	125.2	73%	0.727	76%	0.76	S	S	*	*			cis	-147.1	179.2	31.6	43.2	-24.3	0	0	0	117.8
319	N	29.1	Very low	28.9	Very low	137 Å²	137	128.4 Å²	128.4	73%	0.733	76%	0.758	S	S	*	*			trans	65.5	160.2	151	-72.9	-25.6	0	0	0	120.3
320	K	31.1	Very low	28.6	Very low	165 Å²	165	129.7 Å²	129.7	72%	0.717	76%	0.756	S	S	*	*			cis	-173.7	151.8	-40.7	-119.1	-172.5	-177.4	-178.8	0	109.2
321	H	26.8	Very low	28.4	Very low	158 Å²	158	129 Å²	129	73%	0.731	76%	0.758	S	S	*	*			trans	64.2	172.3	161.6	-79.2	-128.4	0	0	0	117.4
322	L	25.8	Very low	28.2	Very low	135 Å²	135	126 Å²	126	71%	0.707	76%	0.759	S	S	*	*				-170.7	155.6	-53.5	-131.4	167.7	0	0	0	108.4
323	S	25.3	Very low	28	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	77%	0.768	S	S	*	*			trans	66.7	169.3	168.8	81.1	0	0	0	0	116.8
324	A	26.5	Very low	28	Very low	82 Å²	82	124.3 Å²	124.3	68%	0.678	77%	0.767	S	S	*	*			cis	-175.6	179.9	-39.6	0	0	0	0	0	108.5
325	S	28.1	Very low	28.2	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	78%	0.776	S	S	*	*			trans	84.1	159.3	166.7	-52.2	0	0	0	0	118.4
326	H	26.9	Very low	28	Very low	169 Å²	169	127.6 Å²	127.6	78%	0.782	77%	0.771	S	S	*	*			cis	-178.9	127.8	-46.6	-123.9	-74.2	0	0	0	109.8
327	S	26.3	Very low	28.2	Very low	106 Å²	106	132 Å²	132	74%	0.741	77%	0.774	S	S	*	*			trans	-173.9	110.5	157.5	30.6	0	0	0	0	109.5
328	T	28.2	Very low	28.2	Very low	114 Å²	114	137.5 Å²	137.5	70%	0.699	78%	0.782	S	S	*	*				73.1	130	69.5	62.9	0	0	0	0	114.1
329	L	27.2	Very low	27.6	Very low	144 Å²	144	141.6 Å²	141.6	75%	0.754	79%	0.791	S	S	*	*			cis	-164.7	169.9	1.2	-116	169.9	0	0	0	112.4
330	N	25.7	Very low	27.4	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	80%	0.795	S	S	*	*			trans	73.7	150.6	163.2	-65.3	-18.3	0	0	0	118.9
331	T	25.8	Very low	27.2	Very low	137 Å²	137	142 Å²	142	84%	0.84	80%	0.801	S	S	*	*			cis	-140	173	8.5	-22.5	0	0	0	0	112.2
332	A	25	Very low	27.3	Very low	96 Å²	96	142.3 Å²	142.3	79%	0.793	81%	0.806	S	S	*	*			trans	-83.3	159.3	-171.5	0	0	0	0	0	116
333	S	26.5	Very low	27.5	Very low	125 Å²	125	141.3 Å²	141.3	87%	0.874	81%	0.808	S	S	*	*			trans	-140.8	139.7	164.9	-68.9	0	0	0	0	111
334	T	28	Very low	27.7	Very low	142 Å²	142	145.7 Å²	145.7	87%	0.871	81%	0.813	S	S	*	*			trans	-84.6	150.4	178	45.3	0	0	0	0	113
335	H	31.7	Very low	27.7	Very low	199 Å²	199	147.1 Å²	147.1	92%	0.921	82%	0.818	S	S	*	*			trans	-86.7	117.6	170.9	-121.4	-83.5	0	0	0	110.3
336	D	26.1	Very low	27.9	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	82%	0.82	S	S	*	*			trans	-156.5	170.2	156	-139.1	-30.6	0	0	0	112.8
337	M	30.3	Very low	28	Very low	166 Å²	166	144.8 Å²	144.8	82%	0.818	82%	0.817	S	S	*	*			trans	-81.7	142	-162.9	-61	171.4	56.6	0	0	115
338	M	25	Very low	28.4	Very low	190 Å²	190	146.4 Å²	146.4	94%	0.936	82%	0.818	S	S	*	*			trans	-139.1	142	152.4	-81.9	-151.6	174.1	0	0	113.4
339	H	33.1	Very low	28.6	Very low	197 Å²	197	150 Å²	150	91%	0.912	83%	0.827	S	S	*	*			trans	-66.4	138.7	169.2	-84.5	-84.9	0	0	0	111.4
340	S	25.1	Very low	28.5	Very low	116 Å²	116	148.6 Å²	148.6	81%	0.811	83%	0.829	S	S	*	*			trans	-117.6	147.5	159.4	-170.3	0	0	0	0	110.9
341	K	26.8	Very low	28.7	Very low	194 Å²	194	150.7 Å²	150.7	84%	0.843	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-93.7	133.3	-174.8	-64.2	168.8	-177.3	169.3	0	109.5	P343	K341-P343 VanDerWaalsContact O-CD 3.26Å; K341-P343 WeakPolarHBondContact O-CD 2.98Å
342	I	30	Very low	28.9	Very low	166 Å²	166	149.7 Å²	149.7	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-67.9	120	174.6	-59.4	171.7	0	0	0	109.3
343	P	29.4	Very low	29.1	Very low	114 Å²	114	156.7 Å²	156.7	74%	0.74	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-73.1	151.2	171.3	-14.3	31.2	0	0	0	111.2	K341	K341-P343 VanDerWaalsContact O-CD 3.26Å; K341-P343 WeakPolarHBondContact O-CD 2.98Å
344	K	29.4	Very low	29.2	Very low	204 Å²	204	156.3 Å²	156.3	89%	0.887	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-73.2	127.9	170.2	-63.3	177.9	-178.4	177.6	0	109.2	P346	K344-P346 WeakPolarHBondContact O-CD 3.49Å
345	S	28	Very low	29.3	Very low	113 Å²	113	158.3 Å²	158.3	79%	0.79	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-78.2	121.4	175.4	52.6	0	0	0	0	111.6
346	P	30.9	Very low	29.2	Very low	126 Å²	126	155.7 Å²	155.7	82%	0.818	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-73.2	160.7	162.5	33.3	-33.9	0	0	0	110.5	K344	K344-P346 WeakPolarHBondContact O-CD 3.49Å
347	S	29.5	Very low	29.5	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-101.4	148.8	-174.9	52.7	0	0	0	0	114
348	N	35.1	Very low	29.4	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	84%	0.844	S	S	*	*			trans	82	140.3	160.6	-70	3.8	0	0	0	121.1
349	E	31.6	Very low	29.9	Very low	188 Å²	188	149.4 Å²	149.4	88%	0.879	84%	0.841	S	S	*	*			trans	60.6	115.8	158.1	-67.6	-174.5	-170.4	0	0	121.2
350	S	26	Very low	29.7	Very low	115 Å²	115	144 Å²	144	80%	0.804	84%	0.839	S	S	*	*			trans	-150.3	55	164.2	59.5	0	0	0	0	112.7
351	L	29.9	Very low	29.8	Very low	180 Å²	180	142 Å²	142	94%	0.942	84%	0.837	S	S	*	*			trans	-136.8	62.1	170.2	-82.1	-177.3	0	0	0	112.8
352	S	29.1	Very low	29.9	Very low	116 Å²	116	139 Å²	139	81%	0.811	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-102.9	116.9	165.4	47.8	0	0	0	0	110.4
353	R	29	Very low	30.2	Very low	243 Å²	243	140.7 Å²	140.7	92%	0.917	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-80.7	148.1	163.3	-81.7	-175.6	170.7	-179	-3.2	109.3
354	S	30	Very low	30.2	Very low	117 Å²	117	139 Å²	139	82%	0.818	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-62.2	137.4	-170.7	49.9	0	0	0	0	114.2
355	H	30.2	Very low	30.5	Very low	185 Å²	185	133 Å²	133	86%	0.856	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-70.1	146.8	164	-67.9	-84.2	0	0	0	111.5
356	T	28.8	Very low	30.8	Very low	143 Å²	143	136.5 Å²	136.5	88%	0.877	85%	0.847	S	S	*	*			trans	-118.7	147.3	144.5	49.8	0	0	0	0	107.9
357	S	32.4	Very low	31.3	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	85%	0.846	S	S	*	*			trans	-115.3	129.6	-169.6	54.8	0	0	0	0	112
358	S	27.5	Very low	31.6	Very low	127 Å²	127	137.5 Å²	137.5	89%	0.888	85%	0.845	S	S	*	*			trans	-138.3	140.1	161.2	55.7	0	0	0	0	110.1
359	S	35.7	Very low	31.8	Very low	126 Å²	126	137.8 Å²	137.8	88%	0.881	85%	0.847	S	S	*	*			trans	-96.8	132.1	-175	52.2	0	0	0	0	111.6
360	G	28.5	Very low	32.5	Very low	84 Å²	84	133.9 Å²	133.9	87%	0.866	84%	0.84	S	S	*	*			trans	-171.5	132.3	169.6	0	0	0	0	0	109.6
361	G	28.5	Very low	33.4	Very low	74 Å²	74	131.6 Å²	131.6	76%	0.763	84%	0.835	S	S	*	*			trans	-125.9	143.8	-176.6	0	0	0	0	0	112.3
362	S	29.4	Very low	34.7	Very low	130 Å²	130	127.6 Å²	127.6	91%	0.909	82%	0.822	S	S	*	*			trans	-172.2	164.2	156.8	-86.2	0	0	0	0	110.1
363	Q	36	Very low	37.1	Very low	202 Å²	202	124.8 Å²	124.8	94%	0.944	80%	0.798	S	S	*	*			trans	-73.7	147.8	178	-60.1	179.2	7.9	0	0	111.5
364	G	28.8	Very low	39.9	Very low	77 Å²	77	117.3 Å²	117.3	79%	0.794	78%	0.783	S	S	*	*			trans	-178.1	93.8	174.3	0	0	0	0	0	110.8
365	G	36.3	Very low	43	Very low	78 Å²	78	112 Å²	112	80%	0.804	75%	0.747	S	S	*	*			trans	-80.5	120.1	-179	0	0	0	0	0	112
366	H	34.8	Very low	46.1	Very low	188 Å²	188	107.3 Å²	107.3	87%	0.87	72%	0.724	S	S	*	*			trans	-136.4	137.8	161.2	-100.9	-77.4	0	0	0	111.5
367	N	40.6	Very low	49.4	Very low	148 Å²	148	106.6 Å²	106.6	79%	0.791	71%	0.705	S	S	*	*			trans	-83.5	113.3	-171.5	-175.1	3.5	0	0	0	111.3
368	S	35.8	Very low	52.5	Low	104 Å²	104	101.3 Å²	101.3	73%	0.727	67%	0.668	S	S	*	*			trans	-123.1	73.8	174.9	47.4	0	0	0	0	110.5	S370	S368-S370 PolarHBondContact O-N 3.23Å
369	N	40.1	Very low	55.8	Low	146 Å²	146	98.9 Å²	98.9	78%	0.781	64%	0.643	S	S	*	*			trans	-74.3	80.9	-172.5	-167.8	11.7	0	0	0	113.5
370	S	45.6	Very low	58.7	Low	107 Å²	107	95.8 Å²	95.8	75%	0.748	62%	0.616	S	S	*	*			trans	-125.3	47.7	165.7	53.9	0	0	0	0	110.5	S368 S372	S368-S370 PolarHBondContact O-N 3.23Å; S370-S372 PolarHBondContact O-N 3.12Å
371	G	44	Very low	62	Low	67 Å²	67	91.8 Å²	91.8	69%	0.691	58%	0.575	S	S	*	*			trans	-62.3	94.3	-172.9	0	0	0	0	0	114.2	N373	G371-N373 PolarHBondContact O-N 3.14Å
372	S	57.9	Low	65.3	Low	96 Å²	96	90 Å²	90	67%	0.671	55%	0.549	S	S	*	.			trans	-63.3	122.4	162.8	58.6	0	0	0	0	108.9	S370 S374	S370-S372 PolarHBondContact O-N 3.12Å; S372-S374 PolarHBondContact O-N 3.39Å
373	N	79.6	Confident	68.5	Low	56 Å²	56	91.9 Å²	91.9	30%	0.299	54%	0.543	S	S	.	.			trans	-56.7	113.4	172.4	178.5	6.8	0	0	0	108.8	G371 G375 F404 H464	G371-N373 PolarHBondContact O-N 3.14Å; N373-G375 VanDerWaalsContact C-N 3.26Å; N373-G375 PolarHBondContact O-N 3Å; N373-G375 PolarHBondContact OD1-N 3.37Å; N373-F404 VanDerWaalsContact O-CE1 3.3Å; N373-F404 WeakPolarHBondContact O-CE1 3.16Å; N373-H464 WeakPolarHBondContact CB-O 3.12Å; N373-H464 PolarHBondContact ND2-O 2.92Å
374	S	87.7	Confident	71.4	Confident	86 Å²	86	86.1 Å²	86.1	60%	0.601	52%	0.522	S	S	*	.			trans	-73.1	-19.2	-172.2	53.6	0	0	0	0	113.3	S372 R402	S372-S374 PolarHBondContact O-N 3.39Å; S374-R402 WeakPolarHBondContact O-CD 3.29Å; S374-R402 PolarHBondContact O-NH1 2.91Å
375	G	94.1	Very high	74.6	Confident	6 Å²	6	84.9 Å²	84.9	6%	0.062	50%	0.495	C	S	.	.			trans	71	142.1	-177.9	0	0	0	0	0	113.2	N373 R402 V403	N373-G375 VanDerWaalsContact C-N 3.26Å; N373-G375 PolarHBondContact O-N 3Å; N373-G375 PolarHBondContact OD1-N 3.37Å; G375-R402 PolarHBondContact O-NH1 3.12Å; G375-V403 CarbonylContact C-O 3.55Å; G375-V403 WeakPolarHBondContact CA-O 3.31Å
376	F	96.9	Very high	77.4	Confident	87 Å²	87	81.9 Å²	81.9	38%	0.382	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-64.8	153.1	171.1	-66.5	-89.8	0	0	0	110.4	D380 A381 F385 R402 V403	F376-D380 HydrophobicContact CB-CB 4.34Å; F376-D380 HydrophobicContact CD1-CB 4.03Å; F376-A381 HydrophobicContact CB-CB 3.97Å; F376-F385 AromaticContact CD2-CE2 3.99Å; F376-F385 HydrophobicContact CD2-CE2 3.99Å; F376-F385 AromaticContact CE2-CE2 3.85Å; F376-F385 HydrophobicContact CE2-CE2 3.85Å; F376-F385 AromaticContact CE2-CZ 4Å; F376-F385 HydrophobicContact CE2-CZ 4Å; F376-F385 HydrophobicContact CG-CE2 4.43Å; F376-F385 HydrophobicContact CZ-CE2 4.15Å; F376-F385 HydrophobicContact CZ-CZ 4.16Å; F376-R402 WeakPolarHBondContact O-CA 3.23Å; F376-V403 HydrophobicContact CB-CB 4.37Å; F376-V403 PolarHBondContact N-O 3.21Å; F376-V403 PolarHBondContact O-N 3.01Å
377	R	97.4	Very high	80.3	Confident	127 Å²	127	77.6 Å²	77.6	48%	0.479	46%	0.461	S	S	.	.			trans	-69.7	159.1	159.7	-58.5	172.2	51.4	168	-2.4	109.4	E379 D380 A381	R377-E379 WeakPolarHBondContact CB-OE2 3.23Å; R377-E379 IonicContact CZ-OE2 3.52Å; R377-E379 IonicContact NE-OE2 3.36Å; R377-E379 PolarHBondContact NE-OE2 3.45Å; R377-E379 VanDerWaalsContact NH2-CD 3.34Å; R377-E379 IonicContact NH2-OE1 2.71Å; R377-E379 IonicContact NH2-OE2 3.7Å; R377-E379 PolarHBondContact NH2-OE2 3.08Å; R377-E379 PolarHBondContact O-N 2.95Å; R377-D380 WeakPolarHBondContact CB-OD2 3.26Å; R377-D380 VanDerWaalsContact CG-OD2 3.27Å; R377-D380 WeakPolarHBondContact CG-OD2 3.42Å; R377-D380 PolarHBondContact N-OD2 2.94Å; R377-D380 PolarHBondContact O-N 3.29Å; R377-A381 VanDerWaalsContact O-CB 3.29Å; R377-A381 WeakPolarHBondContact O-CB 3.29Å; R377-A381 PolarHBondContact O-N 2.99Å
378	P	97.3	Very high	83	Confident	11 Å²	11	76.3 Å²	76.3	7%	0.071	45%	0.449	C	S	.	.	H	α-helix	trans	-59.9	-32.2	174.9	23.8	-33.8	0	0	0	112.7	V382 I397 Y398	P378-V382 WeakPolarHBondContact O-CG2 2.98Å; P378-V382 PolarHBondContact O-N 2.8Å; P378-I397 HydrophobicContact CB-CG1 4.31Å; P378-Y398 HydrophobicContact CB-CD1 3.8Å; P378-Y398 HydrophobicContact CB-CE1 4.19Å; P378-Y398 HydrophobicContact CB-CG 4.41Å; P378-Y398 HydrophobicContact CG-CD1 4.1Å
379	E	97.4	Very high	85.9	Confident	77 Å²	77	71.8 Å²	71.8	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-56.6	173.7	-60.1	75.3	-147	0	0	111.7	R377 A381 V382 Q383 Y398	R377-E379 WeakPolarHBondContact CB-OE2 3.23Å; R377-E379 IonicContact CZ-OE2 3.52Å; R377-E379 IonicContact NE-OE2 3.36Å; R377-E379 PolarHBondContact NE-OE2 3.45Å; R377-E379 VanDerWaalsContact NH2-CD 3.34Å; R377-E379 IonicContact NH2-OE1 2.71Å; R377-E379 IonicContact NH2-OE2 3.7Å; R377-E379 PolarHBondContact NH2-OE2 3.08Å; R377-E379 PolarHBondContact O-N 2.95Å; E379-A381 PolarHBondContact O-N 2.89Å; E379-V382 PolarHBondContact O-N 2.86Å; E379-V382 VanDerWaalsContact O-N 3.14Å; E379-Q383 PolarHBondContact O-N 3.47Å; E379-Y398 HydrophobicContact CG-CE1 4.29Å
380	D	97.1	Very high	88.5	Confident	60 Å²	60	65.9 Å²	65.9	32%	0.321	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-36.8	179.8	-37.8	-32.6	0	0	0	111.1	F376 R377 Q383 T384	F376-D380 HydrophobicContact CB-CB 4.34Å; F376-D380 HydrophobicContact CD1-CB 4.03Å; R377-D380 WeakPolarHBondContact CB-OD2 3.26Å; R377-D380 VanDerWaalsContact CG-OD2 3.27Å; R377-D380 WeakPolarHBondContact CG-OD2 3.42Å; R377-D380 PolarHBondContact N-OD2 2.94Å; R377-D380 PolarHBondContact O-N 3.29Å; D380-Q383 PolarHBondContact O-N 2.74Å; D380-T384 VanDerWaalsContact O-CB 3.25Å; D380-T384 WeakPolarHBondContact O-CB 3.44Å; D380-T384 PolarHBondContact O-N 2.79Å; D380-T384 PolarHBondContact O-OG1 3.32Å
381	A	97.3	Very high	90.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-69.5	-39	178.3	0	0	0	0	0	112.6	F376 R377 E379 F385 I397 V403	F376-A381 HydrophobicContact CB-CB 3.97Å; R377-A381 VanDerWaalsContact O-CB 3.29Å; R377-A381 WeakPolarHBondContact O-CB 3.29Å; R377-A381 PolarHBondContact O-N 2.99Å; E379-A381 PolarHBondContact O-N 2.89Å; A381-F385 HydrophobicContact CB-CD2 4.36Å; A381-F385 WeakPolarHBondContact O-CA 3.34Å; A381-F385 WeakPolarHBondContact O-CB 3.45Å; A381-F385 WeakPolarHBondContact O-CD2 3.44Å; A381-F385 PolarHBondContact O-N 2.78Å; A381-I397 HydrophobicContact CB-CD1 3.85Å; A381-V403 HydrophobicContact CB-CB 3.87Å; A381-V403 HydrophobicContact CB-CG1 3.78Å; A381-V403 HydrophobicContact CB-CG2 3.99Å
382	V	97.1	Very high	93.3	Very high	36 Å²	36	63.9 Å²	63.9	22%	0.218	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-38.7	173.4	170.4	0	0	0	0	111	P378 E379 G386 L389 I397 Y398	P378-V382 WeakPolarHBondContact O-CG2 2.98Å; P378-V382 PolarHBondContact O-N 2.8Å; E379-V382 PolarHBondContact O-N 2.86Å; E379-V382 VanDerWaalsContact O-N 3.14Å; V382-G386 WeakPolarHBondContact O-CA 3.5Å; V382-G386 PolarHBondContact O-N 3.02Å; V382-L389 HydrophobicContact CG2-CD1 4.21Å; V382-I397 HydrophobicContact CG2-CD1 4.25Å; V382-I397 HydrophobicContact CG2-CG2 3.53Å; V382-Y398 HydrophobicContact CG2-CE2 4.11Å
383	Q	96.8	Very high	95.2	Very high	170 Å²	170	59.3 Å²	59.3	79%	0.794	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-44.1	174.7	-171.8	176.3	3.1	0	0	112	E379 D380	E379-Q383 PolarHBondContact O-N 3.47Å; D380-Q383 PolarHBondContact O-N 2.74Å
384	T	96.5	Very high	95.9	Very high	82 Å²	82	60.9 Å²	60.9	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-77.7	-40.4	-176.1	-52	0	0	0	0	112.9	D380	D380-T384 VanDerWaalsContact O-CB 3.25Å; D380-T384 WeakPolarHBondContact O-CB 3.44Å; D380-T384 PolarHBondContact O-N 2.79Å; D380-T384 PolarHBondContact O-OG1 3.32Å
385	F	96.6	Very high	96.2	Very high	50 Å²	50	61.8 Å²	61.8	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-117.9	4.9	-169.7	-52.4	-69	0	0	0	114	F376 A381 A387 K388 L389 V406	F376-F385 AromaticContact CD2-CE2 3.99Å; F376-F385 HydrophobicContact CD2-CE2 3.99Å; F376-F385 AromaticContact CE2-CE2 3.85Å; F376-F385 HydrophobicContact CE2-CE2 3.85Å; F376-F385 AromaticContact CE2-CZ 4Å; F376-F385 HydrophobicContact CE2-CZ 4Å; F376-F385 HydrophobicContact CG-CE2 4.43Å; F376-F385 HydrophobicContact CZ-CE2 4.15Å; F376-F385 HydrophobicContact CZ-CZ 4.16Å; A381-F385 HydrophobicContact CB-CD2 4.36Å; A381-F385 WeakPolarHBondContact O-CA 3.34Å; A381-F385 WeakPolarHBondContact O-CB 3.45Å; A381-F385 WeakPolarHBondContact O-CD2 3.44Å; A381-F385 PolarHBondContact O-N 2.78Å; F385-A387 PolarHBondContact O-N 3.15Å; F385-K388 WeakPolarHBondContact O-CA 3.12Å; F385-K388 WeakPolarHBondContact O-CB 3.47Å; F385-K388 PolarHBondContact O-N 3.38Å; F385-L389 PolarHBondContact O-N 2.93Å; F385-V406 HydrophobicContact CB-CG2 4.01Å; F385-V406 HydrophobicContact CD1-CG2 3.99Å; F385-V406 HydrophobicContact CD2-CG1 4.07Å; F385-V406 HydrophobicContact CD2-CG2 4.05Å; F385-V406 HydrophobicContact CG-CG1 4.43Å; F385-V406 HydrophobicContact CG-CG2 3.75Å
386	G	94.8	Very high	96.3	Very high	15 Å²	15	62.3 Å²	62.3	16%	0.155	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17	-175.2	0	0	0	0	0	116.1	V382 K388 K394	V382-G386 WeakPolarHBondContact O-CA 3.5Å; V382-G386 PolarHBondContact O-N 3.02Å; G386-K388 VanDerWaalsContact C-N 3.33Å; G386-K394 WeakPolarHBondContact O-CE 3.48Å; G386-K394 PolarHBondContact O-NZ 3.23Å
387	A	96	Very high	96.4	Very high	98 Å²	98	58.2 Å²	58.2	81%	0.81	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.1	170.8	0	0	0	0	0	114.2	F385	F385-A387 PolarHBondContact O-N 3.15Å
388	K	96.4	Very high	96.4	Very high	121 Å²	121	57.7 Å²	57.7	53%	0.526	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-12.6	179.9	-56	-60.3	-178	-175.4	0	113.7	F385 G386	F385-K388 WeakPolarHBondContact O-CA 3.12Å; F385-K388 WeakPolarHBondContact O-CB 3.47Å; F385-K388 PolarHBondContact O-N 3.38Å; G386-K388 VanDerWaalsContact C-N 3.33Å
389	L	96.5	Very high	96.4	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.052	34%	0.335	C	S	.	.	S	Bend	trans	-84.1	136.4	175.3	-60.9	178.9	0	0	0	111.3	V382 F385 E393 K394 I397 V406	V382-L389 HydrophobicContact CG2-CD1 4.21Å; F385-L389 PolarHBondContact O-N 2.93Å; L389-E393 WeakPolarHBondContact CA-OE2 3.37Å; L389-E393 HydrophobicContact CB-CB 4.04Å; L389-E393 HydrophobicContact CD2-CB 4.22Å; L389-K394 HydrophobicContact CB-CG 4Å; L389-K394 VanDerWaalsContact O-CE 3.29Å; L389-K394 WeakPolarHBondContact O-CE 3.47Å; L389-I397 HydrophobicContact CD1-CD1 3.81Å; L389-V406 HydrophobicContact CD2-CB 4.07Å; L389-V406 HydrophobicContact CD2-CG1 4.28Å
390	V	95.9	Very high	96.4	Very high	22 Å²	22	61.8 Å²	61.8	13%	0.133	33%	0.326	C	S	.	.			trans	-73.2	160.8	171.3	-63.4	0	0	0	0	111.2	F392 E393 K394 K412	V390-F392 HydrophobicContact CG2-CB 4.28Å; V390-F392 PolarHBondContact O-N 3.05Å; V390-F392 VanDerWaalsContact O-N 3.12Å; V390-E393 HydrophobicContact CG2-CB 4.15Å; V390-E393 HydrophobicContact CG2-CG 3.66Å; V390-E393 PolarHBondContact N-OE2 3.13Å; V390-E393 VanDerWaalsContact N-OE2 3.08Å; V390-E393 WeakPolarHBondContact O-CB 3.23Å; V390-E393 PolarHBondContact O-N 2.9Å; V390-K394 PolarHBondContact O-N 3.22Å; V390-K412 HydrophobicContact CG1-CB 3.79Å; V390-K412 HydrophobicContact CG1-CD 4.19Å
391	P	94.6	Very high	96.3	Very high	93 Å²	93	64.6 Å²	64.6	60%	0.604	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.4	-177.1	-28.7	36.9	0	0	0	115	N395	P391-N395 PolarHBondContact O-ND2 3.29Å
392	F	95.6	Very high	96.3	Very high	39 Å²	39	70 Å²	70	17%	0.171	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-47.1	172.2	-171	-87.6	0	0	0	112	V390 K394 N395 E396 I417 Y425 R516	V390-F392 HydrophobicContact CG2-CB 4.28Å; V390-F392 PolarHBondContact O-N 3.05Å; V390-F392 VanDerWaalsContact O-N 3.12Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-K394 PolarHBondContact O-N 3.17Å; F392-N395 PolarHBondContact O-N 2.82Å; F392-N395 VanDerWaalsContact O-N 3.12Å; F392-E396 HydrophobicContact CD1-CB 4.09Å; F392-E396 HydrophobicContact CE1-CB 4.05Å; F392-E396 HydrophobicContact CE1-CG 4.19Å; F392-E396 WeakPolarHBondContact O-CB 3.31Å; F392-E396 PolarHBondContact O-N 3.44Å; F392-I417 HydrophobicContact CD2-CG1 3.73Å; F392-I417 HydrophobicContact CE2-CG1 3.71Å; F392-Y425 AromaticContact CD1-CE2 3.77Å; F392-Y425 HydrophobicContact CD1-CE2 3.77Å; F392-Y425 WeakPolarHBondContact CD1-OH 3.4Å; F392-Y425 HydrophobicContact CD2-CE2 4Å; F392-Y425 AromaticContact CE1-CE2 3.7Å; F392-Y425 HydrophobicContact CE1-CE2 3.7Å; F392-Y425 AromaticContact CE2-CE2 3.94Å; F392-Y425 HydrophobicContact CE2-CE2 3.94Å; F392-Y425 AromaticContact CG-CE2 3.93Å; F392-Y425 HydrophobicContact CG-CE2 3.93Å; F392-Y425 HydrophobicContact CZ-CD2 4.43Å; F392-Y425 AromaticContact CZ-CE2 3.79Å; F392-Y425 HydrophobicContact CZ-CE2 3.79Å; F392-R516 HydrophobicContact CE1-CG 4.25Å
393	E	97.1	Very high	96.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-34.3	-176.9	-72.2	171.5	169.3	0	0	112.5	L389 V390 N395 E396 I397 K412 H439 Y442 R516	L389-E393 WeakPolarHBondContact CA-OE2 3.37Å; L389-E393 HydrophobicContact CB-CB 4.04Å; L389-E393 HydrophobicContact CD2-CB 4.22Å; V390-E393 HydrophobicContact CG2-CB 4.15Å; V390-E393 HydrophobicContact CG2-CG 3.66Å; V390-E393 PolarHBondContact N-OE2 3.13Å; V390-E393 VanDerWaalsContact N-OE2 3.08Å; V390-E393 WeakPolarHBondContact O-CB 3.23Å; V390-E393 PolarHBondContact O-N 2.9Å; E393-N395 PolarHBondContact O-N 2.76Å; E393-N395 VanDerWaalsContact O-N 3.14Å; E393-E396 PolarHBondContact O-N 3.03Å; E393-I397 VanDerWaalsContact O-CB 3.23Å; E393-I397 WeakPolarHBondContact O-CB 3.06Å; E393-I397 VanDerWaalsContact O-CG2 3.24Å; E393-I397 WeakPolarHBondContact O-CG2 3.45Å; E393-I397 PolarHBondContact O-N 3.17Å; E393-K412 IonicContact OE1-NZ 3.95Å; E393-K412 PolarHBondContact OE1-NZ 3.14Å; E393-K412 VanDerWaalsContact OE2-CD 3.31Å; E393-K412 WeakPolarHBondContact OE2-CD 3.34Å; E393-K412 VanDerWaalsContact OE2-CE 3.26Å; E393-K412 WeakPolarHBondContact OE2-CE 3.46Å; E393-K412 IonicContact OE2-NZ 3.01Å; E393-K412 PolarHBondContact OE2-NZ 2.99Å; E393-K412 VanDerWaalsContact OE2-NZ 3.08Å; E393-H439 IonicContact OE1-CE1 2.76Å; E393-H439 IonicContact OE1-NE2 2.74Å; E393-H439 PolarHBondContact OE1-NE2 3.4Å; E393-Y442 WeakPolarHBondContact CA-OH 3.5Å; E393-Y442 WeakPolarHBondContact CB-OH 3.26Å; E393-Y442 WeakPolarHBondContact CG-OH 3.38Å; E393-Y442 PolarHBondContact O-OH 2.94Å; E393-R516 IonicContact OE1-CZ 3.18Å; E393-R516 IonicContact OE1-NH1 3.89Å; E393-R516 IonicContact OE1-NH2 2.76Å; E393-R516 PolarHBondContact OE1-NH2 2.99Å
394	K	94.9	Very high	96.4	Very high	88 Å²	88	61.9 Å²	61.9	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-22.3	175.4	-64.1	-176.9	-178.3	-169.1	0	113.5	G386 L389 V390 F392 Y398	G386-K394 WeakPolarHBondContact O-CE 3.48Å; G386-K394 PolarHBondContact O-NZ 3.23Å; L389-K394 HydrophobicContact CB-CG 4Å; L389-K394 VanDerWaalsContact O-CE 3.29Å; L389-K394 WeakPolarHBondContact O-CE 3.47Å; V390-K394 PolarHBondContact O-N 3.22Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-K394 PolarHBondContact O-N 3.17Å; K394-Y398 WeakPolarHBondContact O-CD2 3.44Å; K394-Y398 VanDerWaalsContact O-CE2 3.26Å; K394-Y398 WeakPolarHBondContact O-CE2 3.16Å
395	N	94.2	Very high	96.5	Very high	105 Å²	105	59.8 Å²	59.8	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-98.7	-39.9	172.5	-60.8	-53.8	0	0	0	111.7	P391 F392 E393 I397	P391-N395 PolarHBondContact O-ND2 3.29Å; F392-N395 PolarHBondContact O-N 2.82Å; F392-N395 VanDerWaalsContact O-N 3.12Å; E393-N395 PolarHBondContact O-N 2.76Å; E393-N395 VanDerWaalsContact O-N 3.14Å; N395-I397 PolarHBondContact O-N 2.82Å
396	E	96.8	Very high	96.6	Very high	18 Å²	18	57.7 Å²	57.7	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-38.3	-178.7	-176.2	-174.6	-139.9	0	0	112.6	F392 E393 Y398 N399 Y400 Y442 R516	F392-E396 HydrophobicContact CD1-CB 4.09Å; F392-E396 HydrophobicContact CE1-CB 4.05Å; F392-E396 HydrophobicContact CE1-CG 4.19Å; F392-E396 WeakPolarHBondContact O-CB 3.31Å; F392-E396 PolarHBondContact O-N 3.44Å; E393-E396 PolarHBondContact O-N 3.03Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 3.08Å; E396-N399 WeakPolarHBondContact O-CB 3.24Å; E396-N399 PolarHBondContact O-N 3.35Å; E396-N399 PolarHBondContact O-ND2 2.76Å; E396-Y400 HydrophobicContact CG-CE2 4.02Å; E396-Y400 WeakPolarHBondContact O-CD2 3.37Å; E396-Y442 HydrophobicContact CG-CE2 4.07Å; E396-Y442 PolarHBondContact OE2-OH 2.9Å; E396-Y442 VanDerWaalsContact OE2-OH 3.09Å; E396-R516 WeakPolarHBondContact OE1-CG 3.37Å; E396-R516 IonicContact OE1-NE 2.67Å; E396-R516 PolarHBondContact OE1-NE 2.95Å; E396-R516 VanDerWaalsContact OE1-NE 3.13Å; E396-R516 IonicContact OE2-CZ 3.13Å; E396-R516 IonicContact OE2-NE 3.33Å; E396-R516 PolarHBondContact OE2-NE 2.89Å; E396-R516 IonicContact OE2-NH2 2.82Å; E396-R516 PolarHBondContact OE2-NH2 3.12Å
397	I	97.6	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.6	-33.3	-172.8	-164.1	165.6	0	0	0	113.9	P378 A381 V382 L389 E393 N395 N399 Y400 V403 Y442	P378-I397 HydrophobicContact CB-CG1 4.31Å; A381-I397 HydrophobicContact CB-CD1 3.85Å; V382-I397 HydrophobicContact CG2-CD1 4.25Å; V382-I397 HydrophobicContact CG2-CG2 3.53Å; L389-I397 HydrophobicContact CD1-CD1 3.81Å; E393-I397 VanDerWaalsContact O-CB 3.23Å; E393-I397 WeakPolarHBondContact O-CB 3.06Å; E393-I397 VanDerWaalsContact O-CG2 3.24Å; E393-I397 WeakPolarHBondContact O-CG2 3.45Å; E393-I397 PolarHBondContact O-N 3.17Å; N395-I397 PolarHBondContact O-N 2.82Å; I397-N399 PolarHBondContact O-N 2.75Å; I397-N399 VanDerWaalsContact O-N 3.17Å; I397-Y400 PolarHBondContact O-N 3.36Å; I397-V403 HydrophobicContact CD1-CG1 4.44Å; I397-V403 HydrophobicContact CD1-CG2 3.87Å; I397-V403 HydrophobicContact CG1-CG2 3.62Å; I397-Y442 HydrophobicContact CB-CE1 3.9Å; I397-Y442 HydrophobicContact CB-CE2 4.27Å; I397-Y442 HydrophobicContact CD1-CD1 4Å; I397-Y442 HydrophobicContact CD1-CE1 3.74Å; I397-Y442 HydrophobicContact CG1-CD1 3.93Å; I397-Y442 HydrophobicContact CG1-CE1 3.68Å; I397-Y442 HydrophobicContact CG1-CE2 4.43Å; I397-Y442 HydrophobicContact CG1-CG 4.4Å
398	Y	97.5	Very high	96.7	Very high	116 Å²	116	54 Å²	54	46%	0.455	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.9	-10.6	178.6	-67.3	-76.1	0	0	0	114.2	P378 E379 V382 K394 E396 Y400	P378-Y398 HydrophobicContact CB-CD1 3.8Å; P378-Y398 HydrophobicContact CB-CE1 4.19Å; P378-Y398 HydrophobicContact CB-CG 4.41Å; P378-Y398 HydrophobicContact CG-CD1 4.1Å; E379-Y398 HydrophobicContact CG-CE1 4.29Å; V382-Y398 HydrophobicContact CG2-CE2 4.11Å; K394-Y398 WeakPolarHBondContact O-CD2 3.44Å; K394-Y398 VanDerWaalsContact O-CE2 3.26Å; K394-Y398 WeakPolarHBondContact O-CE2 3.16Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 3.08Å; Y398-Y400 PolarHBondContact O-N 3Å
399	N	97.1	Very high	96.6	Very high	128 Å²	128	56.7 Å²	56.7	68%	0.684	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-79.2	-4.6	170.3	-56.6	-82.6	0	0	0	112.7	E396 I397	E396-N399 WeakPolarHBondContact O-CB 3.24Å; E396-N399 PolarHBondContact O-N 3.35Å; E396-N399 PolarHBondContact O-ND2 2.76Å; I397-N399 PolarHBondContact O-N 2.75Å; I397-N399 VanDerWaalsContact O-N 3.17Å
400	Y	97.3	Very high	96.6	Very high	46 Å²	46	57.1 Å²	57.1	18%	0.18	29%	0.286	C	S	.	.			trans	-116	119	-176.7	-62.5	-93.1	0	0	0	110.2	E396 I397 Y398 R402 A441 Y442	E396-Y400 HydrophobicContact CG-CE2 4.02Å; E396-Y400 WeakPolarHBondContact O-CD2 3.37Å; I397-Y400 PolarHBondContact O-N 3.36Å; Y398-Y400 PolarHBondContact O-N 3Å; Y400-R402 PolarHBondContact O-N 3.01Å; Y400-A441 HydrophobicContact CD1-CB 4.44Å; Y400-A441 HydrophobicContact CE1-CB 3.72Å; Y400-Y442 HydrophobicContact CD1-CD2 4.2Å; Y400-Y442 AromaticContact CD2-CD2 3.4Å; Y400-Y442 HydrophobicContact CD2-CD2 3.4Å; Y400-Y442 AromaticContact CD2-CE2 3.59Å; Y400-Y442 HydrophobicContact CD2-CE2 3.59Å; Y400-Y442 HydrophobicContact CE1-CD2 4.48Å; Y400-Y442 AromaticContact CE2-CD2 3.74Å; Y400-Y442 HydrophobicContact CE2-CD2 3.74Å; Y400-Y442 AromaticContact CE2-CE2 3.69Å; Y400-Y442 HydrophobicContact CE2-CE2 3.69Å; Y400-Y442 AromaticContact CG-CD2 3.67Å; Y400-Y442 HydrophobicContact CG-CD2 3.67Å; Y400-Y442 HydrophobicContact CG-CE2 4.33Å
401	T	95.8	Very high	96.6	Very high	120 Å²	120	65.4 Å²	65.4	74%	0.736	32%	0.32	S	S	*	.	S	Bend	trans	-67.5	-22.1	-176.2	54.9	0	0	0	0	113.8
402	R	97.1	Very high	96.6	Very high	114 Å²	114	62.4 Å²	62.4	43%	0.43	30%	0.298	S	S	.	.			trans	-143.4	140.1	174.9	-69.2	-64.1	178.6	155.2	-4.4	111.2	S374 G375 F376 Y400 F404	S374-R402 WeakPolarHBondContact O-CD 3.29Å; S374-R402 PolarHBondContact O-NH1 2.91Å; G375-R402 PolarHBondContact O-NH1 3.12Å; F376-R402 WeakPolarHBondContact O-CA 3.23Å; Y400-R402 PolarHBondContact O-N 3.01Å; R402-F404 HydrophobicContact CB-CD2 4.47Å; R402-F404 HydrophobicContact CB-CE1 4.25Å; R402-F404 HydrophobicContact CB-CE2 3.59Å; R402-F404 HydrophobicContact CB-CZ 3.46Å; R402-F404 VanDerWaalsContact CB-CZ 3.46Å; R402-F404 HydrophobicContact CG-CZ 4.21Å
403	V	98.1	Very high	96.5	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-115.6	115.2	178.9	172.9	0	0	0	0	108.6	G375 F376 A381 I397 V406 Y442	G375-V403 CarbonylContact C-O 3.55Å; G375-V403 WeakPolarHBondContact CA-O 3.31Å; F376-V403 HydrophobicContact CB-CB 4.37Å; F376-V403 PolarHBondContact N-O 3.21Å; F376-V403 PolarHBondContact O-N 3.01Å; A381-V403 HydrophobicContact CB-CB 3.87Å; A381-V403 HydrophobicContact CB-CG1 3.78Å; A381-V403 HydrophobicContact CB-CG2 3.99Å; I397-V403 HydrophobicContact CD1-CG1 4.44Å; I397-V403 HydrophobicContact CD1-CG2 3.87Å; I397-V403 HydrophobicContact CG1-CG2 3.62Å; V403-V406 HydrophobicContact CG1-CG1 3.47Å; V403-V406 VanDerWaalsContact CG1-CG1 3.47Å; V403-Y442 HydrophobicContact CG1-CD1 4.28Å; V403-Y442 HydrophobicContact CG2-CD1 4.43Å; V403-Y442 HydrophobicContact CG2-CG 4.36Å
404	F	98.2	Very high	96.1	Very high	34 Å²	34	66.6 Å²	66.6	15%	0.149	33%	0.33	C	S	.	.	S	Bend	trans	-105.3	-27.2	-179.5	-49.8	-89.7	0	0	0	112.1	N373 R402 Y442 R443 H464 K465	N373-F404 VanDerWaalsContact O-CE1 3.3Å; N373-F404 WeakPolarHBondContact O-CE1 3.16Å; R402-F404 HydrophobicContact CB-CD2 4.47Å; R402-F404 HydrophobicContact CB-CE1 4.25Å; R402-F404 HydrophobicContact CB-CE2 3.59Å; R402-F404 HydrophobicContact CB-CZ 3.46Å; R402-F404 VanDerWaalsContact CB-CZ 3.46Å; R402-F404 HydrophobicContact CG-CZ 4.21Å; F404-Y442 PolarHBondContact N-O 3.48Å; F404-R443 HydrophobicContact CD2-CB 3.97Å; F404-R443 HydrophobicContact CD2-CG 4.02Å; F404-H464 HydrophobicContact CB-CB 3.91Å; F404-K465 HydrophobicContact CD1-CB 3.9Å; F404-K465 HydrophobicContact CD1-CG 4.19Å; F404-K465 HydrophobicContact CD2-CB 4.21Å; F404-K465 HydrophobicContact CE1-CB 3.93Å; F404-K465 HydrophobicContact CE1-CD 4.33Å; F404-K465 HydrophobicContact CE1-CG 3.7Å; F404-K465 HydrophobicContact CE2-CB 4.23Å; F404-K465 HydrophobicContact CE2-CD 4.25Å; F404-K465 HydrophobicContact CE2-CG 4.31Å; F404-K465 HydrophobicContact CG-CB 4.05Å; F404-K465 HydrophobicContact CZ-CB 4.09Å; F404-K465 HydrophobicContact CZ-CD 3.88Å; F404-K465 HydrophobicContact CZ-CG 3.76Å
405	F	98.3	Very high	95.8	Very high	37 Å²	37	62.9 Å²	62.9	16%	0.162	32%	0.317	C	S	.	.			trans	-152.9	134.1	-178.9	-176.9	-105.3	0	0	0	112	H437 H439 Y442 E445 H464	F405-H437 WeakPolarHBondContact CE1-O 3.39Å; F405-H437 WeakPolarHBondContact CZ-O 3.49Å; F405-H439 HydrophobicContact CD1-CB 3.78Å; F405-H439 HydrophobicContact CE1-CB 4.29Å; F405-Y442 PolarHBondContact N-O 2.97Å; F405-Y442 CarbonylContact O-C 3.6Å; F405-Y442 WeakPolarHBondContact O-CA 3.36Å; F405-E445 HydrophobicContact CD1-CB 3.97Å; F405-E445 HydrophobicContact CD1-CG 4.5Å; F405-E445 HydrophobicContact CE1-CB 3.62Å; F405-E445 HydrophobicContact CE1-CG 3.67Å; F405-E445 HydrophobicContact CE2-CB 4.41Å; F405-E445 HydrophobicContact CE2-CG 4.32Å; F405-E445 HydrophobicContact CZ-CB 3.86Å; F405-E445 HydrophobicContact CZ-CG 3.55Å; F405-H464 HydrophobicContact CB-CB 4Å; F405-H464 AromaticContact CD2-CD2 3.59Å; F405-H464 AromaticContact CD2-CE1 3.67Å; F405-H464 AromaticContact CD2-NE2 3.3Å; F405-H464 VanDerWaalsContact CD2-NE2 3.3Å; F405-H464 WeakPolarHBondContact CD2-NE2 3.22Å; F405-H464 AromaticContact CE2-NE2 3.65Å; F405-H464 AromaticContact CG-CD2 3.53Å; F405-H464 AromaticContact CG-NE2 3.72Å
406	V	97.9	Very high	95.6	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.042	32%	0.318	C	S	.	.			trans	-117.7	-2.3	-176.1	-62.9	0	0	0	0	114.8	F385 L389 V403 S408 K412 H439 Y442	F385-V406 HydrophobicContact CB-CG2 4.01Å; F385-V406 HydrophobicContact CD1-CG2 3.99Å; F385-V406 HydrophobicContact CD2-CG1 4.07Å; F385-V406 HydrophobicContact CD2-CG2 4.05Å; F385-V406 HydrophobicContact CG-CG1 4.43Å; F385-V406 HydrophobicContact CG-CG2 3.75Å; L389-V406 HydrophobicContact CD2-CB 4.07Å; L389-V406 HydrophobicContact CD2-CG1 4.28Å; V403-V406 HydrophobicContact CG1-CG1 3.47Å; V403-V406 VanDerWaalsContact CG1-CG1 3.47Å; V406-S408 VanDerWaalsContact CG2-OG 3.25Å; V406-S408 WeakPolarHBondContact CG2-OG 3.26Å; V406-K412 WeakPolarHBondContact O-CE 3.25Å; V406-K412 PolarHBondContact O-NZ 3.27Å; V406-H439 PolarHBondContact O-CD2 3.05Å; V406-Y442 HydrophobicContact CG1-CD1 4.34Å
407	G	97.5	Very high	95.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	35%	0.345	C	S	.	.			trans	64.5	38.4	178.7	0	0	0	0	0	114.8	H409 A410 H437	G407-H409 PolarHBondContact O-N 3.18Å; G407-A410 VanDerWaalsContact O-CB 3.31Å; G407-A410 WeakPolarHBondContact O-CB 3.43Å; G407-A410 PolarHBondContact O-N 3.09Å; G407-H437 WeakPolarHBondContact CA-O 3.41Å
408	S	96.1	Very high	94.7	Very high	35 Å²	35	71.6 Å²	71.6	25%	0.245	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-15.1	-171.9	-58.8	0	0	0	0	117.2	V406	V406-S408 VanDerWaalsContact CG2-OG 3.25Å; V406-S408 WeakPolarHBondContact CG2-OG 3.26Å
409	H	94.8	Very high	94.3	Very high	177 Å²	177	67.5 Å²	67.5	82%	0.819	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-0.3	-178.5	-56.7	-76.2	0	0	0	113.1	G407	G407-H409 PolarHBondContact O-N 3.18Å
410	A	96.6	Very high	94	Very high	18 Å²	18	65.2 Å²	65.2	15%	0.149	38%	0.378	C	S	.	.	S	Bend	trans	-73.3	149.3	179.5	0	0	0	0	0	111.8	G407 K412 V435 D438	G407-A410 VanDerWaalsContact O-CB 3.31Å; G407-A410 WeakPolarHBondContact O-CB 3.43Å; G407-A410 PolarHBondContact O-N 3.09Å; A410-K412 HydrophobicContact CB-CG 4.13Å; A410-K412 PolarHBondContact O-N 3.32Å; A410-V435 HydrophobicContact CB-CG1 4.02Å; A410-D438 HydrophobicContact CB-CB 3.65Å
411	K	95.9	Very high	93.9	Very high	196 Å²	196	66.9 Å²	66.9	85%	0.852	39%	0.39	S	S	*	.			trans	-80.5	65.4	169.8	-65.5	-172.9	179.1	-176.5	0	109.8	V435	K411-V435 WeakPolarHBondContact O-CG1 3.21Å
412	K	95.4	Very high	93.9	Very high	31 Å²	31	62.8 Å²	62.8	14%	0.135	36%	0.364	C	S	.	.			trans	-53.8	143	-174	-69.9	177.7	168.5	-69.7	0	112.6	V390 E393 V406 A410 D438 H439	V390-K412 HydrophobicContact CG1-CB 3.79Å; V390-K412 HydrophobicContact CG1-CD 4.19Å; E393-K412 IonicContact OE1-NZ 3.95Å; E393-K412 PolarHBondContact OE1-NZ 3.14Å; E393-K412 VanDerWaalsContact OE2-CD 3.31Å; E393-K412 WeakPolarHBondContact OE2-CD 3.34Å; E393-K412 VanDerWaalsContact OE2-CE 3.26Å; E393-K412 WeakPolarHBondContact OE2-CE 3.46Å; E393-K412 IonicContact OE2-NZ 3.01Å; E393-K412 PolarHBondContact OE2-NZ 2.99Å; E393-K412 VanDerWaalsContact OE2-NZ 3.08Å; V406-K412 WeakPolarHBondContact O-CE 3.25Å; V406-K412 PolarHBondContact O-NZ 3.27Å; A410-K412 HydrophobicContact CB-CG 4.13Å; A410-K412 PolarHBondContact O-N 3.32Å; K412-D438 IonicContact NZ-OD1 2.76Å; K412-D438 PolarHBondContact NZ-OD1 2.92Å; K412-H439 PolarHBondContact NZ-CD2 3.32Å
413	Q	92	Very high	93.7	Very high	54 Å²	54	57.8 Å²	57.8	25%	0.252	35%	0.348	S	S	.	.			trans	-85.5	127	172.6	-165.5	173.8	12.2	0	0	110.7	G415 G424 Y425	Q413-G415 VanDerWaalsContact C-N 3.34Å; Q413-G415 PolarHBondContact O-N 2.76Å; Q413-G424 PolarHBondContact NE2-O 3.44Å; Q413-G424 PolarHBondContact OE1-O 3.06Å; Q413-Y425 HydrophobicContact CB-CD1 4.38Å; Q413-Y425 HydrophobicContact CB-CE1 4.09Å; Q413-Y425 PolarHBondContact O-OH 2.96Å
414	A	89.9	Confident	93.5	Very high	72 Å²	72	58.8 Å²	58.8	60%	0.595	36%	0.358	S	S	*	.			trans	-78.9	79.2	178.4	0	0	0	0	0	110.8
415	G	88.5	Confident	93.5	Very high	11 Å²	11	57.3 Å²	57.3	11%	0.113	35%	0.351	C	S	.	.			trans	-66.6	147.9	-178.1	0	0	0	0	0	114	Q413 G423 Y425	Q413-G415 VanDerWaalsContact C-N 3.34Å; Q413-G415 PolarHBondContact O-N 2.76Å; G415-G423 CarbonylContact C-O 3.56Å; G415-G423 VanDerWaalsContact CA-O 3.23Å; G415-G423 WeakPolarHBondContact CA-O 3.49Å; G415-Y425 PolarHBondContact N-OH 2.74Å
416	V	89.9	Confident	93.4	Very high	94 Å²	94	55.8 Å²	55.8	57%	0.57	35%	0.345	S	S	*	.			trans	-116.7	118.3	-178.7	-178.7	0	0	0	0	109.9	G418 G419 G423	V416-G418 PolarHBondContact O-N 2.92Å; V416-G419 PolarHBondContact O-N 3.08Å; V416-G423 PolarHBondContact N-O 2.8Å; V416-G423 WeakPolarHBondContact O-CA 3.4Å
417	I	86.9	Confident	93.3	Very high	128 Å²	128	58.1 Å²	58.1	66%	0.656	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	124.6	-179	-59.5	173.3	0	0	0	109.8	F392 G419	F392-I417 HydrophobicContact CD2-CG1 3.73Å; F392-I417 HydrophobicContact CE2-CG1 3.71Å; I417-G419 VanDerWaalsContact C-N 3.26Å; I417-G419 PolarHBondContact O-N 3.49Å
418	G	87.1	Confident	93.1	Very high	84 Å²	84	66.9 Å²	66.9	87%	0.866	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0.6	-178.6	0	0	0	0	0	115.5	V416	V416-G418 PolarHBondContact O-N 2.92Å
419	G	89.4	Confident	93	Very high	30 Å²	30	69 Å²	69	31%	0.309	41%	0.406	S	S	.	.			trans	-67.9	164.6	174.5	0	0	0	0	0	113.5	V416 I417 G423	V416-G419 PolarHBondContact O-N 3.08Å; I417-G419 VanDerWaalsContact C-N 3.26Å; I417-G419 PolarHBondContact O-N 3.49Å; G419-G423 PolarHBondContact O-N 2.74Å
420	A	92.3	Very high	93	Very high	80 Å²	80	61.1 Å²	61.1	66%	0.661	37%	0.373	S	S	*	.	H	α-helix	trans	-55.7	158.3	173.3	0	0	0	0	0	112.1	N422 G423 G424	A420-N422 PolarHBondContact O-N 3.45Å; A420-G423 CarbonylContact O-C 3.55Å; A420-G423 PolarHBondContact O-N 3.06Å; A420-G423 VanDerWaalsContact O-N 3.12Å; A420-G424 PolarHBondContact O-N 2.84Å
421	N	93.9	Very high	93	Very high	81 Å²	81	61 Å²	61	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	49.1	53	178.6	-61	74.7	0	0	0	112.8	G423 G424 Y425 D426 D427	N421-G423 VanDerWaalsContact C-N 3.34Å; N421-G423 PolarHBondContact O-N 3.07Å; N421-G424 CarbonylContact O-C 3.22Å; N421-G424 VanDerWaalsContact O-CA 3.31Å; N421-G424 WeakPolarHBondContact O-CA 3.44Å; N421-G424 PolarHBondContact O-N 2.69Å; N421-Y425 PolarHBondContact O-N 2.87Å; N421-Y425 VanDerWaalsContact O-N 3.15Å; N421-D426 HydrophobicContact CB-CB 4.48Å; N421-D426 PolarHBondContact O-N 2.93Å; N421-D427 PolarHBondContact ND2-O 3.08Å
422	N	95.4	Very high	93.1	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	57.6	43.4	-179.1	-168.3	24.8	0	0	0	112.8	A420 G424 Y425 D426 R516 N517	A420-N422 PolarHBondContact O-N 3.45Å; N422-G424 PolarHBondContact O-N 2.94Å; N422-Y425 WeakPolarHBondContact O-CD2 3.48Å; N422-Y425 PolarHBondContact O-N 2.88Å; N422-D426 HydrophobicContact CB-CB 3.93Å; N422-D426 VanDerWaalsContact CB-OD1 3.23Å; N422-D426 WeakPolarHBondContact CB-OD1 3.31Å; N422-D426 WeakPolarHBondContact CB-OD2 3.39Å; N422-D426 PolarHBondContact ND2-OD1 3.13Å; N422-R516 PolarHBondContact ND2-O 2.79Å; N422-N517 PolarHBondContact OD1-ND2 2.71Å
423	G	93.1	Very high	93.2	Very high	9 Å²	9	54.7 Å²	54.7	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	69	20	-173.3	0	0	0	0	0	114.4	G415 V416 G419 A420 N421	G415-G423 CarbonylContact C-O 3.56Å; G415-G423 VanDerWaalsContact CA-O 3.23Å; G415-G423 WeakPolarHBondContact CA-O 3.49Å; V416-G423 PolarHBondContact N-O 2.8Å; V416-G423 WeakPolarHBondContact O-CA 3.4Å; G419-G423 PolarHBondContact O-N 2.74Å; A420-G423 CarbonylContact O-C 3.55Å; A420-G423 PolarHBondContact O-N 3.06Å; A420-G423 VanDerWaalsContact O-N 3.12Å; N421-G423 VanDerWaalsContact C-N 3.34Å; N421-G423 PolarHBondContact O-N 3.07Å
424	G	95.3	Very high	93.4	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-18.6	-173.9	0	0	0	0	0	114.4	Q413 A420 N421 N422 D426 Q433	Q413-G424 PolarHBondContact NE2-O 3.44Å; Q413-G424 PolarHBondContact OE1-O 3.06Å; A420-G424 PolarHBondContact O-N 2.84Å; N421-G424 CarbonylContact O-C 3.22Å; N421-G424 VanDerWaalsContact O-CA 3.31Å; N421-G424 WeakPolarHBondContact O-CA 3.44Å; N421-G424 PolarHBondContact O-N 2.69Å; N422-G424 PolarHBondContact O-N 2.94Å; G424-D426 PolarHBondContact O-N 3.43Å; G424-Q433 PolarHBondContact O-NE2 3.17Å
425	Y	97.1	Very high	93.8	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.008	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.3	-174.6	-72.8	-59.9	0	0	0	115.1	F392 Q413 G415 N421 N422 Y432 Q433 R516	F392-Y425 AromaticContact CD1-CE2 3.77Å; F392-Y425 HydrophobicContact CD1-CE2 3.77Å; F392-Y425 WeakPolarHBondContact CD1-OH 3.4Å; F392-Y425 HydrophobicContact CD2-CE2 4Å; F392-Y425 AromaticContact CE1-CE2 3.7Å; F392-Y425 HydrophobicContact CE1-CE2 3.7Å; F392-Y425 AromaticContact CE2-CE2 3.94Å; F392-Y425 HydrophobicContact CE2-CE2 3.94Å; F392-Y425 AromaticContact CG-CE2 3.93Å; F392-Y425 HydrophobicContact CG-CE2 3.93Å; F392-Y425 HydrophobicContact CZ-CD2 4.43Å; F392-Y425 AromaticContact CZ-CE2 3.79Å; F392-Y425 HydrophobicContact CZ-CE2 3.79Å; Q413-Y425 HydrophobicContact CB-CD1 4.38Å; Q413-Y425 HydrophobicContact CB-CE1 4.09Å; Q413-Y425 PolarHBondContact O-OH 2.96Å; G415-Y425 PolarHBondContact N-OH 2.74Å; N421-Y425 PolarHBondContact O-N 2.87Å; N421-Y425 VanDerWaalsContact O-N 3.15Å; N422-Y425 WeakPolarHBondContact O-CD2 3.48Å; N422-Y425 PolarHBondContact O-N 2.88Å; Y425-Y432 HydrophobicContact CD1-CE2 4.08Å; Y425-Y432 HydrophobicContact CG-CE2 4.16Å; Y425-Q433 PolarHBondContact O-N 2.95Å; Y425-R516 VanDerWaalsContact CE1-NH1 3.34Å
426	D	97.4	Very high	94.2	Very high	6 Å²	6	55 Å²	55	3%	0.032	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-105.3	155.7	177.2	-66.5	10.8	0	0	0	111.1	N421 N422 G424 G430 S431 Q433 N477 H518	N421-D426 HydrophobicContact CB-CB 4.48Å; N421-D426 PolarHBondContact O-N 2.93Å; N422-D426 HydrophobicContact CB-CB 3.93Å; N422-D426 VanDerWaalsContact CB-OD1 3.23Å; N422-D426 WeakPolarHBondContact CB-OD1 3.31Å; N422-D426 WeakPolarHBondContact CB-OD2 3.39Å; N422-D426 PolarHBondContact ND2-OD1 3.13Å; G424-D426 PolarHBondContact O-N 3.43Å; D426-G430 WeakPolarHBondContact OD2-CA 3.5Å; D426-S431 WeakPolarHBondContact CA-O 3.46Å; D426-Q433 PolarHBondContact O-NE2 3.24Å; D426-N477 VanDerWaalsContact OD2-CB 3.3Å; D426-N477 WeakPolarHBondContact OD2-CB 3.46Å; D426-N477 PolarHBondContact OD2-ND2 3.46Å; D426-H518 IonicContact OD1-CE1 3.05Å; D426-H518 IonicContact OD1-NE2 3.97Å; D426-H518 PolarHBondContact OD1-NE2 3.34Å
427	D	95	Very high	94.6	Very high	56 Å²	56	55 Å²	55	30%	0.299	33%	0.333	S	S	.	.			trans	-75.8	-176.6	161.3	68.2	4.9	0	0	0	111.7	N421 N429 G430 S431	N421-D427 PolarHBondContact ND2-O 3.08Å; D427-N429 PolarHBondContact O-N 2.89Å; D427-N429 VanDerWaalsContact O-N 3.08Å; D427-N429 VanDerWaalsContact OD1-C 3.32Å; D427-N429 VanDerWaalsContact OD1-CA 3.24Å; D427-N429 WeakPolarHBondContact OD1-CA 3.49Å; D427-N429 WeakPolarHBondContact OD1-CB 3.3Å; D427-N429 PolarHBondContact OD1-N 3.22Å; D427-G430 PolarHBondContact O-N 2.91Å; D427-G430 PolarHBondContact OD1-N 2.89Å; D427-S431 PolarHBondContact N-O 2.82Å; D427-S431 WeakPolarHBondContact OD1-CA 3.18Å; D427-S431 WeakPolarHBondContact OD1-CB 3.24Å; D427-S431 PolarHBondContact OD1-N 3.38Å; D427-S431 PolarHBondContact OD1-OG 3.1Å; D427-S431 WeakPolarHBondContact OD2-CB 3.43Å; D427-S431 PolarHBondContact OD2-OG 3.29Å
428	E	94.3	Very high	95.2	Very high	185 Å²	185	49.1 Å²	49.1	86%	0.864	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.3	173.7	-63.1	178.6	174.3	0	0	113.6
429	N	93.3	Very high	95.7	Very high	78 Å²	78	45.1 Å²	45.1	42%	0.417	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.9	-178.5	-87.1	-88.3	0	0	0	113.2	D427 R476	D427-N429 PolarHBondContact O-N 2.89Å; D427-N429 VanDerWaalsContact O-N 3.08Å; D427-N429 VanDerWaalsContact OD1-C 3.32Å; D427-N429 VanDerWaalsContact OD1-CA 3.24Å; D427-N429 WeakPolarHBondContact OD1-CA 3.49Å; D427-N429 WeakPolarHBondContact OD1-CB 3.3Å; D427-N429 PolarHBondContact OD1-N 3.22Å; N429-R476 PolarHBondContact O-NE 3.27Å; N429-R476 PolarHBondContact O-NH2 3.01Å; N429-R476 VanDerWaalsContact O-NH2 3.07Å; N429-R476 PolarHBondContact OD1-NH1 3Å; N429-R476 PolarHBondContact OD1-NH2 2.97Å
430	G	95.3	Very high	96.2	Very high	12 Å²	12	43.8 Å²	43.8	12%	0.124	25%	0.247	C	C	.	.	S	Bend	trans	75.8	23.7	-171.9	0	0	0	0	0	113.4	D426 D427 R476 N477 H518	D426-G430 WeakPolarHBondContact OD2-CA 3.5Å; D427-G430 PolarHBondContact O-N 2.91Å; D427-G430 PolarHBondContact OD1-N 2.89Å; G430-R476 WeakPolarHBondContact O-CG 3.18Å; G430-N477 WeakPolarHBondContact O-CB 3.27Å; G430-N477 PolarHBondContact O-N 3.41Å; G430-H518 PolarHBondContact O-CE1 3.3Å
431	S	96.6	Very high	96.5	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.112	22%	0.22	C	C	.	.			trans	-98.8	130.9	175.3	-39.3	0	0	0	0	109.9	D426 D427 Q433	D426-S431 WeakPolarHBondContact CA-O 3.46Å; D427-S431 PolarHBondContact N-O 2.82Å; D427-S431 WeakPolarHBondContact OD1-CA 3.18Å; D427-S431 WeakPolarHBondContact OD1-CB 3.24Å; D427-S431 PolarHBondContact OD1-N 3.38Å; D427-S431 PolarHBondContact OD1-OG 3.1Å; D427-S431 WeakPolarHBondContact OD2-CB 3.43Å; D427-S431 PolarHBondContact OD2-OG 3.29Å; S431-Q433 PolarHBondContact O-N 2.77Å
432	Y	97.8	Very high	96.7	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.035	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-58.1	131.6	-178.1	-167.6	-104.9	0	0	0	112.8	Y425 L434 I440 Q457 L474 F515 R516 H518	Y425-Y432 HydrophobicContact CD1-CE2 4.08Å; Y425-Y432 HydrophobicContact CG-CE2 4.16Å; Y432-L434 HydrophobicContact CD1-CD2 3.84Å; Y432-L434 HydrophobicContact CD1-CG 4.12Å; Y432-L434 HydrophobicContact CE1-CD2 4.32Å; Y432-L434 PolarHBondContact O-N 2.86Å; Y432-L434 VanDerWaalsContact O-N 3.08Å; Y432-I440 HydrophobicContact CD1-CD1 4.48Å; Y432-I440 HydrophobicContact CE1-CD1 3.96Å; Y432-Q457 PolarHBondContact O-NE2 2.86Å; Y432-L474 HydrophobicContact CD1-CD2 3.79Å; Y432-L474 HydrophobicContact CG-CD2 4.01Å; Y432-F515 HydrophobicContact CE2-CE1 4.25Å; Y432-F515 AromaticContact CZ-CE1 3.9Å; Y432-R516 HydrophobicContact CE2-CB 4.1Å; Y432-R516 PolarHBondContact OH-NH1 3.05Å; Y432-H518 WeakPolarHBondContact CB-NE2 3.35Å; Y432-H518 AromaticContact CD2-CD2 3.49Å; Y432-H518 VanDerWaalsContact CD2-CD2 3.49Å; Y432-H518 WeakPolarHBondContact CD2-CD2 3.5Å; Y432-H518 AromaticContact CD2-NE2 3.46Å; Y432-H518 WeakPolarHBondContact CD2-NE2 3.39Å; Y432-H518 AromaticContact CG-CD2 3.97Å; Y432-H518 AromaticContact CG-NE2 3.89Å; Y432-H518 PolarHBondContact N-CE1 2.95Å
433	Q	97.1	Very high	96.8	Very high	85 Å²	85	36.2 Å²	36.2	40%	0.397	20%	0.196	S	C	.	.			trans	-78.5	90.3	176.1	-60.9	-157.2	60.7	0	0	110.3	G424 Y425 D426 S431 V435	G424-Q433 PolarHBondContact O-NE2 3.17Å; Y425-Q433 PolarHBondContact O-N 2.95Å; D426-Q433 PolarHBondContact O-NE2 3.24Å; S431-Q433 PolarHBondContact O-N 2.77Å; Q433-V435 PolarHBondContact O-N 3.07Å
434	L	96.8	Very high	97.1	Very high	38 Å²	38	35.9 Å²	35.9	20%	0.199	19%	0.191	C	C	.	.			trans	-68.5	114.4	-177.4	-73	165.7	0	0	0	112.6	Y432 V446 V449 Q457 I459 L474	Y432-L434 HydrophobicContact CD1-CD2 3.84Å; Y432-L434 HydrophobicContact CD1-CG 4.12Å; Y432-L434 HydrophobicContact CE1-CD2 4.32Å; Y432-L434 PolarHBondContact O-N 2.86Å; Y432-L434 VanDerWaalsContact O-N 3.08Å; L434-V446 HydrophobicContact CD2-CG1 4.05Å; L434-V446 HydrophobicContact CD2-CG2 4.24Å; L434-V449 HydrophobicContact CD1-CG2 3.87Å; L434-Q457 HydrophobicContact CD1-CB 4.19Å; L434-I459 HydrophobicContact CD1-CG2 3.48Å; L434-I459 VanDerWaalsContact CD1-CG2 3.48Å; L434-I459 HydrophobicContact CD2-CD1 4.37Å; L434-I459 HydrophobicContact CD2-CG2 4.06Å; L434-I459 HydrophobicContact CG-CG2 4.43Å; L434-L474 HydrophobicContact CD2-CD1 4.04Å; L434-L474 HydrophobicContact CD2-CD2 4.04Å
435	V	97.8	Very high	97.3	Very high	29 Å²	29	36.2 Å²	36.2	18%	0.176	19%	0.187	C	C	.	.			trans	-92	129.1	166.5	-179.6	0	0	0	0	109.3	A410 K411 Q433 D438 V446	A410-V435 HydrophobicContact CB-CG1 4.02Å; K411-V435 WeakPolarHBondContact O-CG1 3.21Å; Q433-V435 PolarHBondContact O-N 3.07Å; V435-D438 HydrophobicContact CB-CB 3.81Å; V435-D438 HydrophobicContact CG1-CB 3.99Å; V435-D438 WeakPolarHBondContact O-CB 3.25Å; V435-D438 PolarHBondContact O-N 3.08Å; V435-V446 WeakPolarHBondContact O-CB 3.36Å; V435-V446 WeakPolarHBondContact O-CG1 3.48Å
436	V	97.8	Very high	97.3	Very high	78 Å²	78	36.3 Å²	36.3	47%	0.473	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	141.4	178.6	-170.4	0	0	0	0	110.2	D438 L447	V436-D438 PolarHBondContact O-N 2.9Å; V436-L447 WeakPolarHBondContact CG1-O 3.43Å
437	H	98.3	Very high	97.4	Very high	94 Å²	94	38 Å²	38	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	8.9	-169	-55.4	-70.4	0	0	0	115.6	F405 G407 E445 V446	F405-H437 WeakPolarHBondContact CE1-O 3.39Å; F405-H437 WeakPolarHBondContact CZ-O 3.49Å; G407-H437 WeakPolarHBondContact CA-O 3.41Å; H437-E445 IonicContact CE1-OE1 2.8Å; H437-E445 IonicContact CG-OE1 3.08Å; H437-E445 IonicContact ND1-OE1 3.07Å; H437-E445 PolarHBondContact ND1-OE1 2.88Å; H437-V446 PolarHBondContact N-O 3.27Å
438	D	98.5	Very high	97.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.212	C	C	.	.			trans	-82.7	168.4	170	-156.1	4.9	0	0	0	111.6	A410 K412 V435 V436 V446	A410-D438 HydrophobicContact CB-CB 3.65Å; K412-D438 IonicContact NZ-OD1 2.76Å; K412-D438 PolarHBondContact NZ-OD1 2.92Å; V435-D438 HydrophobicContact CB-CB 3.81Å; V435-D438 HydrophobicContact CG1-CB 3.99Å; V435-D438 WeakPolarHBondContact O-CB 3.25Å; V435-D438 PolarHBondContact O-N 3.08Å; V436-D438 PolarHBondContact O-N 2.9Å; D438-V446 WeakPolarHBondContact O-CG2 3.48Å; D438-V446 PolarHBondContact O-N 2.96Å
439	H	98.5	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.1	179.1	74.4	62.8	0	0	0	113.3	E393 F405 V406 K412 Y442 Y444 F515 R516	E393-H439 IonicContact OE1-CE1 2.76Å; E393-H439 IonicContact OE1-NE2 2.74Å; E393-H439 PolarHBondContact OE1-NE2 3.4Å; F405-H439 HydrophobicContact CD1-CB 3.78Å; F405-H439 HydrophobicContact CE1-CB 4.29Å; V406-H439 PolarHBondContact O-CD2 3.05Å; K412-H439 PolarHBondContact NZ-CD2 3.32Å; H439-Y442 AromaticContact CD2-CD1 3.86Å; H439-Y442 AromaticContact CD2-CE1 3.85Å; H439-Y442 AromaticContact CE1-CD1 3.92Å; H439-Y442 AromaticContact CE1-CE1 3.6Å; H439-Y442 AromaticContact CE1-CE2 3.75Å; H439-Y442 AromaticContact CE1-CZ 3.49Å; H439-Y442 VanDerWaalsContact CE1-CZ 3.49Å; H439-Y442 AromaticContact NE2-CD1 3.61Å; H439-Y442 AromaticContact NE2-CE1 3.16Å; H439-Y442 WeakPolarHBondContact NE2-CE1 3.42Å; H439-Y442 AromaticContact NE2-CZ 3.46Å; H439-Y444 CarbonylContact C-O 3.48Å; H439-Y444 WeakPolarHBondContact CA-O 3.39Å; H439-F515 AromaticContact CE1-CE2 3.99Å; H439-F515 AromaticContact CE1-CZ 3.97Å; H439-F515 AromaticContact ND1-CE2 3.92Å; H439-F515 AromaticContact ND1-CZ 3.78Å; H439-R516 PolarHBondContact CE1-NH2 2.94Å
440	I	98.6	Very high	97.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.1	153.9	-55.6	-60	0	0	0	107.3	Y432 Y442 R443 Y444 V446 I459 L472 L474 F513 F515	Y432-I440 HydrophobicContact CD1-CD1 4.48Å; Y432-I440 HydrophobicContact CE1-CD1 3.96Å; I440-Y442 PolarHBondContact O-N 3.4Å; I440-Y442 VanDerWaalsContact O-N 3.1Å; I440-R443 PolarHBondContact O-N 3.3Å; I440-R443 VanDerWaalsContact O-N 3.14Å; I440-Y444 PolarHBondContact N-O 3.48Å; I440-Y444 PolarHBondContact O-N 2.79Å; I440-V446 HydrophobicContact CD1-CG2 4.06Å; I440-V446 HydrophobicContact CG1-CG2 3.75Å; I440-I459 HydrophobicContact CG1-CD1 4.46Å; I440-L472 HydrophobicContact CB-CD1 4.29Å; I440-L472 HydrophobicContact CG2-CD1 4.1Å; I440-L474 HydrophobicContact CD1-CD2 3.98Å; I440-F513 HydrophobicContact CG2-CE2 3.77Å; I440-F513 HydrophobicContact CG2-CZ 3.96Å; I440-F515 HydrophobicContact CB-CD1 4.44Å; I440-F515 HydrophobicContact CB-CE1 4.44Å; I440-F515 HydrophobicContact CD1-CD1 3.86Å; I440-F515 HydrophobicContact CD1-CE1 3.53Å; I440-F515 HydrophobicContact CD1-CZ 4.43Å; I440-F515 HydrophobicContact CG2-CB 4.21Å; I440-F515 HydrophobicContact CG2-CD1 3.78Å; I440-F515 HydrophobicContact CG2-CE1 4.27Å; I440-F515 HydrophobicContact CG2-CG 3.96Å
441	A	98.3	Very high	97.7	Very high	11 Å²	11	37.2 Å²	37.2	9%	0.091	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	38.4	177.8	0	0	0	0	0	115	Y400 R443 F513 F515	Y400-A441 HydrophobicContact CD1-CB 4.44Å; Y400-A441 HydrophobicContact CE1-CB 3.72Å; A441-R443 WeakPolarHBondContact O-CB 3.45Å; A441-R443 PolarHBondContact O-N 2.91Å; A441-F513 HydrophobicContact CB-CD2 3.87Å; A441-F513 HydrophobicContact CB-CE2 3.49Å; A441-F513 VanDerWaalsContact CB-CE2 3.49Å; A441-F513 HydrophobicContact CB-CZ 4.05Å; A441-F515 HydrophobicContact CB-CD2 4.16Å; A441-F515 VanDerWaalsContact N-CE2 3.26Å
442	Y	98.5	Very high	97.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	25.1	-179.2	-61.4	-87.4	0	0	0	115.4	E393 E396 I397 Y400 V403 F404 F405 V406 H439 I440	E393-Y442 WeakPolarHBondContact CA-OH 3.5Å; E393-Y442 WeakPolarHBondContact CB-OH 3.26Å; E393-Y442 WeakPolarHBondContact CG-OH 3.38Å; E393-Y442 PolarHBondContact O-OH 2.94Å; E396-Y442 HydrophobicContact CG-CE2 4.07Å; E396-Y442 PolarHBondContact OE2-OH 2.9Å; E396-Y442 VanDerWaalsContact OE2-OH 3.09Å; I397-Y442 HydrophobicContact CB-CE1 3.9Å; I397-Y442 HydrophobicContact CB-CE2 4.27Å; I397-Y442 HydrophobicContact CD1-CD1 4Å; I397-Y442 HydrophobicContact CD1-CE1 3.74Å; I397-Y442 HydrophobicContact CG1-CD1 3.93Å; I397-Y442 HydrophobicContact CG1-CE1 3.68Å; I397-Y442 HydrophobicContact CG1-CE2 4.43Å; I397-Y442 HydrophobicContact CG1-CG 4.4Å; Y400-Y442 HydrophobicContact CD1-CD2 4.2Å; Y400-Y442 AromaticContact CD2-CD2 3.4Å; Y400-Y442 HydrophobicContact CD2-CD2 3.4Å; Y400-Y442 AromaticContact CD2-CE2 3.59Å; Y400-Y442 HydrophobicContact CD2-CE2 3.59Å; Y400-Y442 HydrophobicContact CE1-CD2 4.48Å; Y400-Y442 AromaticContact CE2-CD2 3.74Å; Y400-Y442 HydrophobicContact CE2-CD2 3.74Å; Y400-Y442 AromaticContact CE2-CE2 3.69Å; Y400-Y442 HydrophobicContact CE2-CE2 3.69Å; Y400-Y442 AromaticContact CG-CD2 3.67Å; Y400-Y442 HydrophobicContact CG-CD2 3.67Å; Y400-Y442 HydrophobicContact CG-CE2 4.33Å; V403-Y442 HydrophobicContact CG1-CD1 4.28Å; V403-Y442 HydrophobicContact CG2-CD1 4.43Å; V403-Y442 HydrophobicContact CG2-CG 4.36Å; F404-Y442 PolarHBondContact N-O 3.48Å; F405-Y442 PolarHBondContact N-O 2.97Å; F405-Y442 CarbonylContact O-C 3.6Å; F405-Y442 WeakPolarHBondContact O-CA 3.36Å; V406-Y442 HydrophobicContact CG1-CD1 4.34Å; H439-Y442 AromaticContact CD2-CD1 3.86Å; H439-Y442 AromaticContact CD2-CE1 3.85Å; H439-Y442 AromaticContact CE1-CD1 3.92Å; H439-Y442 AromaticContact CE1-CE1 3.6Å; H439-Y442 AromaticContact CE1-CE2 3.75Å; H439-Y442 AromaticContact CE1-CZ 3.49Å; H439-Y442 VanDerWaalsContact CE1-CZ 3.49Å; H439-Y442 AromaticContact NE2-CD1 3.61Å; H439-Y442 AromaticContact NE2-CE1 3.16Å; H439-Y442 WeakPolarHBondContact NE2-CE1 3.42Å; H439-Y442 AromaticContact NE2-CZ 3.46Å; I440-Y442 PolarHBondContact O-N 3.4Å; I440-Y442 VanDerWaalsContact O-N 3.1Å
443	R	98.5	Very high	97	Very high	26 Å²	26	45 Å²	45	10%	0.098	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-40.3	-171.9	175.6	172.7	161.3	-157.4	-10.4	114.3	F404 I440 A441 D463 H464 K465 D511	F404-R443 HydrophobicContact CD2-CB 3.97Å; F404-R443 HydrophobicContact CD2-CG 4.02Å; I440-R443 PolarHBondContact O-N 3.3Å; I440-R443 VanDerWaalsContact O-N 3.14Å; A441-R443 WeakPolarHBondContact O-CB 3.45Å; A441-R443 PolarHBondContact O-N 2.91Å; R443-D463 WeakPolarHBondContact CG-OD1 3.41Å; R443-D463 IonicContact CZ-OD1 2.74Å; R443-D463 IonicContact CZ-OD2 3.34Å; R443-D463 IonicContact NE-OD1 3.54Å; R443-D463 PolarHBondContact NE-OD1 2.79Å; R443-D463 IonicContact NE-OD2 3.65Å; R443-D463 PolarHBondContact NE-OD2 3.16Å; R443-D463 IonicContact NH2-OD1 2.96Å; R443-D463 IonicContact NH2-OD2 2.8Å; R443-D463 PolarHBondContact NH2-OD2 2.9Å; R443-H464 WeakPolarHBondContact O-CB 3.42Å; R443-H464 PolarHBondContact O-N 3.12Å; R443-K465 HydrophobicContact CG-CB 4.14Å; R443-D511 IonicContact CZ-OD2 3.3Å; R443-D511 IonicContact NH1-OD2 3.02Å; R443-D511 PolarHBondContact NH1-OD2 3.3Å; R443-D511 IonicContact NH2-OD2 2.73Å; R443-D511 PolarHBondContact NH2-OD2 3.14Å; R443-D511 VanDerWaalsContact NH2-OD2 3.13Å
444	Y	98.8	Very high	96.5	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	-174.5	-52.9	-87.7	0	0	0	110.6	H439 I440 F462 D463 V470 L472 D511 F513 T522	H439-Y444 CarbonylContact C-O 3.48Å; H439-Y444 WeakPolarHBondContact CA-O 3.39Å; I440-Y444 PolarHBondContact N-O 3.48Å; I440-Y444 PolarHBondContact O-N 2.79Å; Y444-F462 CarbonylContact C-O 3.59Å; Y444-F462 VanDerWaalsContact CA-O 3.32Å; Y444-F462 WeakPolarHBondContact CA-O 3.4Å; Y444-D463 HydrophobicContact CD1-CB 3.79Å; Y444-D463 HydrophobicContact CE1-CB 3.8Å; Y444-D463 WeakPolarHBondContact CE1-OD2 3.5Å; Y444-V470 HydrophobicContact CD1-CG2 3.93Å; Y444-V470 HydrophobicContact CE1-CG2 4.14Å; Y444-L472 HydrophobicContact CD1-CD1 4.22Å; Y444-L472 HydrophobicContact CD2-CD1 3.95Å; Y444-L472 HydrophobicContact CG-CD1 3.76Å; Y444-D511 PolarHBondContact OH-OD2 2.67Å; Y444-F513 HydrophobicContact CD2-CE1 4.22Å; Y444-F513 AromaticContact CD2-CZ 3.85Å; Y444-F513 HydrophobicContact CD2-CZ 3.85Å; Y444-F513 HydrophobicContact CE2-CD1 4.46Å; Y444-F513 AromaticContact CE2-CE1 3.4Å; Y444-F513 HydrophobicContact CE2-CE1 3.4Å; Y444-F513 AromaticContact CE2-CZ 3.49Å; Y444-F513 HydrophobicContact CE2-CZ 3.49Å; Y444-F513 VanDerWaalsContact CE2-CZ 3.49Å; Y444-F513 AromaticContact CZ-CE1 3.95Å; Y444-T522 HydrophobicContact CD1-CG2 4.46Å; Y444-T522 HydrophobicContact CE1-CG2 3.81Å; Y444-T522 HydrophobicContact CE2-CG2 4.41Å
445	E	98.7	Very high	96.1	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.3	174.3	180	179.2	164.8	0	0	111	F405 H437 L447 A461 F462 H464	F405-E445 HydrophobicContact CD1-CB 3.97Å; F405-E445 HydrophobicContact CD1-CG 4.5Å; F405-E445 HydrophobicContact CE1-CB 3.62Å; F405-E445 HydrophobicContact CE1-CG 3.67Å; F405-E445 HydrophobicContact CE2-CB 4.41Å; F405-E445 HydrophobicContact CE2-CG 4.32Å; F405-E445 HydrophobicContact CZ-CB 3.86Å; F405-E445 HydrophobicContact CZ-CG 3.55Å; H437-E445 IonicContact CE1-OE1 2.8Å; H437-E445 IonicContact CG-OE1 3.08Å; H437-E445 IonicContact ND1-OE1 3.07Å; H437-E445 PolarHBondContact ND1-OE1 2.88Å; E445-L447 HydrophobicContact CG-CD2 3.94Å; E445-L447 PolarHBondContact O-N 2.9Å; E445-L447 WeakPolarHBondContact OE1-CD2 3.35Å; E445-A461 WeakPolarHBondContact O-CA 3.34Å; E445-A461 VanDerWaalsContact O-CB 3.23Å; E445-A461 WeakPolarHBondContact O-CB 3.32Å; E445-F462 HydrophobicContact CB-CB 4.49Å; E445-F462 PolarHBondContact N-O 2.86Å; E445-F462 PolarHBondContact O-N 2.79Å; E445-F462 VanDerWaalsContact O-N 3.16Å; E445-H464 IonicContact OE2-CE1 3.18Å; E445-H464 IonicContact OE2-NE2 2.79Å; E445-H464 PolarHBondContact OE2-NE2 3.2Å
446	V	98.6	Very high	95.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	108.7	177.7	179.9	0	0	0	0	110.5	L434 V435 H437 D438 I440 I459	L434-V446 HydrophobicContact CD2-CG1 4.05Å; L434-V446 HydrophobicContact CD2-CG2 4.24Å; V435-V446 WeakPolarHBondContact O-CB 3.36Å; V435-V446 WeakPolarHBondContact O-CG1 3.48Å; H437-V446 PolarHBondContact N-O 3.27Å; D438-V446 WeakPolarHBondContact O-CG2 3.48Å; D438-V446 PolarHBondContact O-N 2.96Å; I440-V446 HydrophobicContact CD1-CG2 4.06Å; I440-V446 HydrophobicContact CG1-CG2 3.75Å; V446-I459 HydrophobicContact CB-CD1 4.25Å; V446-I459 HydrophobicContact CG1-CD1 4.08Å; V446-I459 HydrophobicContact CG2-CD1 3.84Å
447	L	98.3	Very high	95.8	Very high	42 Å²	42	40.4 Å²	40.4	22%	0.22	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-49.6	-178	-62.2	175.9	0	0	0	113.8	V436 E445 K460 F462 Y469	V436-L447 WeakPolarHBondContact CG1-O 3.43Å; E445-L447 HydrophobicContact CG-CD2 3.94Å; E445-L447 PolarHBondContact O-N 2.9Å; E445-L447 WeakPolarHBondContact OE1-CD2 3.35Å; L447-K460 WeakPolarHBondContact CB-O 3.35Å; L447-K460 PolarHBondContact N-O 2.82Å; L447-F462 HydrophobicContact CD1-CB 4.01Å; L447-Y469 HydrophobicContact CD1-CD1 3.86Å; L447-Y469 HydrophobicContact CD1-CE1 3.56Å
448	K	97.5	Very high	95.8	Very high	143 Å²	143	37.1 Å²	37.1	62%	0.622	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-160.7	136.7	-174.9	177.1	167.3	-180	174.2	0	112.1	I450 I459 K460	K448-I450 PolarHBondContact O-N 3.34Å; K448-I459 CarbonylContact O-C 3.57Å; K448-I459 VanDerWaalsContact O-CA 3.28Å; K448-I459 WeakPolarHBondContact O-CA 3.41Å; K448-K460 PolarHBondContact N-O 3.32Å; K448-K460 PolarHBondContact O-N 3.27Å
449	V	97.3	Very high	95.8	Very high	55 Å²	55	37 Å²	37	33%	0.333	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126	166.8	-175.6	0	0	0	0	110.1	L434 G451 K452 I459	L434-V449 HydrophobicContact CD1-CG2 3.87Å; V449-G451 VanDerWaalsContact CG1-O 3.32Å; V449-G451 WeakPolarHBondContact CG1-O 3.35Å; V449-K452 HydrophobicContact CG1-CD 4.39Å; V449-K452 HydrophobicContact CG1-CG 3.66Å; V449-I459 HydrophobicContact CG2-CG2 4.22Å
450	I	95.4	Very high	95.8	Very high	89 Å²	89	39.9 Å²	39.9	46%	0.456	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-13.9	176.7	61.3	177.5	0	0	0	112.9	K448 V458 K460 A471 L525	K448-I450 PolarHBondContact O-N 3.34Å; I450-V458 HydrophobicContact CD1-CG1 4.02Å; I450-V458 HydrophobicContact CG1-CB 4.17Å; I450-V458 HydrophobicContact CG1-CG1 3.87Å; I450-V458 WeakPolarHBondContact CG1-O 3.4Å; I450-V458 PolarHBondContact N-O 2.84Å; I450-K460 HydrophobicContact CG2-CB 3.88Å; I450-A471 HydrophobicContact CD1-CB 4.03Å; I450-L525 HydrophobicContact CD1-CD1 3.96Å
451	G	93.3	Very high	95.8	Very high	26 Å²	26	39.8 Å²	39.8	27%	0.268	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	152.3	169.3	0	0	0	0	0	112.5	V449 V458	V449-G451 VanDerWaalsContact CG1-O 3.32Å; V449-G451 WeakPolarHBondContact CG1-O 3.35Å; G451-V458 PolarHBondContact N-O 2.79Å; G451-V458 PolarHBondContact O-N 3Å
452	K	91.6	Very high	95.8	Very high	150 Å²	150	40.8 Å²	40.8	65%	0.652	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137	146.7	167.5	-59.1	-158.6	-176	-152.2	0	108.9	V449 Q457	V449-K452 HydrophobicContact CG1-CD 4.39Å; V449-K452 HydrophobicContact CG1-CG 3.66Å; K452-Q457 HydrophobicContact CD-CG 4.2Å; K452-Q457 HydrophobicContact CG-CG 4.09Å
453	G	88.1	Confident	95.8	Very high	39 Å²	39	40.9 Å²	40.9	40%	0.402	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-176	178.6	0	0	0	0	0	111.9	F455 G456	G453-F455 PolarHBondContact O-N 3.02Å; G453-G456 PolarHBondContact N-O 2.92Å; G453-G456 PolarHBondContact O-N 3.14Å; G453-G456 VanDerWaalsContact O-N 3.13Å; G453-G456 VanDerWaalsContact O-O 3.07Å
454	S	87.6	Confident	95.8	Very high	66 Å²	66	41.2 Å²	41.2	46%	0.462	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	176	48.3	0	0	0	0	112.8	G456 R476 F481	S454-G456 PolarHBondContact O-N 2.99Å; S454-R476 WeakPolarHBondContact O-CD 3.36Å; S454-F481 WeakPolarHBondContact O-CE2 3.49Å; S454-F481 WeakPolarHBondContact O-CZ 3.33Å
455	F	88.1	Confident	95.7	Very high	47 Å²	47	44.2 Å²	44.2	21%	0.206	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.5	177.4	63.3	-104.8	0	0	0	114.6	G453 V458 K473 V475 R476 F481	G453-F455 PolarHBondContact O-N 3.02Å; F455-V458 HydrophobicContact CE2-CG2 3.85Å; F455-V458 HydrophobicContact CZ-CG2 4.07Å; F455-K473 HydrophobicContact CD2-CG 4.34Å; F455-K473 HydrophobicContact CE2-CG 4.17Å; F455-V475 WeakPolarHBondContact O-CA 3.33Å; F455-R476 PolarHBondContact O-N 3.41Å; F455-F481 HydrophobicContact CB-CD1 4.29Å
456	G	93.6	Very high	95.7	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125.6	-138.5	-171	0	0	0	0	0	113	G453 S454	G453-G456 PolarHBondContact N-O 2.92Å; G453-G456 PolarHBondContact O-N 3.14Å; G453-G456 VanDerWaalsContact O-N 3.13Å; G453-G456 VanDerWaalsContact O-O 3.07Å; S454-G456 PolarHBondContact O-N 2.99Å
457	Q	96.2	Very high	95.6	Very high	16 Å²	16	53.6 Å²	53.6	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147	-168.7	-59.7	-177.4	89.1	0	0	111.6	Y432 L434 K452 K473 L474	Y432-Q457 PolarHBondContact O-NE2 2.86Å; L434-Q457 HydrophobicContact CD1-CB 4.19Å; K452-Q457 HydrophobicContact CD-CG 4.2Å; K452-Q457 HydrophobicContact CG-CG 4.09Å; Q457-K473 CarbonylContact O-C 3.17Å; Q457-K473 WeakPolarHBondContact O-CA 3.2Å; Q457-L474 PolarHBondContact N-O 2.99Å; Q457-L474 PolarHBondContact O-N 2.9Å
458	V	97.9	Very high	95.6	Very high	26 Å²	26	55.6 Å²	55.6	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.3	171.6	-168.2	0	0	0	0	108.9	I450 G451 F455 A471 L472 K473	I450-V458 HydrophobicContact CD1-CG1 4.02Å; I450-V458 HydrophobicContact CG1-CB 4.17Å; I450-V458 HydrophobicContact CG1-CG1 3.87Å; I450-V458 WeakPolarHBondContact CG1-O 3.4Å; I450-V458 PolarHBondContact N-O 2.84Å; G451-V458 PolarHBondContact N-O 2.79Å; G451-V458 PolarHBondContact O-N 3Å; F455-V458 HydrophobicContact CE2-CG2 3.85Å; F455-V458 HydrophobicContact CZ-CG2 4.07Å; V458-A471 HydrophobicContact CG1-CB 4.3Å; V458-L472 CarbonylContact C-O 3.44Å; V458-L472 WeakPolarHBondContact CA-O 3.29Å; V458-K473 HydrophobicContact CG2-CB 4.28Å; V458-K473 HydrophobicContact CG2-CG 4.16Å
459	I	98.4	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.2	176.3	62.9	174.6	0	0	0	111.2	L434 I440 V446 K448 V449 A461 A471 L472 L474	L434-I459 HydrophobicContact CD1-CG2 3.48Å; L434-I459 VanDerWaalsContact CD1-CG2 3.48Å; L434-I459 HydrophobicContact CD2-CD1 4.37Å; L434-I459 HydrophobicContact CD2-CG2 4.06Å; L434-I459 HydrophobicContact CG-CG2 4.43Å; I440-I459 HydrophobicContact CG1-CD1 4.46Å; V446-I459 HydrophobicContact CB-CD1 4.25Å; V446-I459 HydrophobicContact CG1-CD1 4.08Å; V446-I459 HydrophobicContact CG2-CD1 3.84Å; K448-I459 CarbonylContact O-C 3.57Å; K448-I459 VanDerWaalsContact O-CA 3.28Å; K448-I459 WeakPolarHBondContact O-CA 3.41Å; V449-I459 HydrophobicContact CG2-CG2 4.22Å; I459-A461 HydrophobicContact CD1-CB 4.11Å; I459-A461 HydrophobicContact CG1-CB 4.29Å; I459-A471 CarbonylContact O-C 3.58Å; I459-A471 WeakPolarHBondContact O-CA 3.49Å; I459-L472 HydrophobicContact CD1-CB 4.35Å; I459-L472 HydrophobicContact CD1-CD2 4.46Å; I459-L472 HydrophobicContact CG1-CB 3.82Å; I459-L472 HydrophobicContact CG1-CD2 4.45Å; I459-L472 PolarHBondContact N-O 3.37Å; I459-L472 PolarHBondContact O-N 3.19Å; I459-L474 HydrophobicContact CD1-CD1 4.06Å; I459-L474 HydrophobicContact CG1-CD1 4.05Å; I459-L474 HydrophobicContact CG2-CD1 4.27Å
460	K	98.5	Very high	95.7	Very high	61 Å²	61	52 Å²	52	27%	0.265	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.5	149.8	177.9	179.4	179	-171.7	0	106.8	L447 K448 I450 Y469 L525	L447-K460 WeakPolarHBondContact CB-O 3.35Å; L447-K460 PolarHBondContact N-O 2.82Å; K448-K460 PolarHBondContact N-O 3.32Å; K448-K460 PolarHBondContact O-N 3.27Å; I450-K460 HydrophobicContact CG2-CB 3.88Å; K460-Y469 HydrophobicContact CD-CD1 4.43Å; K460-Y469 VanDerWaalsContact CE-CG 3.4Å; K460-L525 HydrophobicContact CD-CD2 3.88Å; K460-L525 HydrophobicContact CG-CD2 3.89Å
461	A	98.8	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	165.6	172.5	0	0	0	0	0	110.9	E445 I459 Y469 V470 L472	E445-A461 WeakPolarHBondContact O-CA 3.34Å; E445-A461 VanDerWaalsContact O-CB 3.23Å; E445-A461 WeakPolarHBondContact O-CB 3.32Å; I459-A461 HydrophobicContact CD1-CB 4.11Å; I459-A461 HydrophobicContact CG1-CB 4.29Å; A461-Y469 WeakPolarHBondContact O-CA 3.46Å; A461-V470 HydrophobicContact CB-CG2 4.08Å; A461-V470 PolarHBondContact N-O 3.19Å; A461-V470 PolarHBondContact O-N 3.21Å; A461-L472 HydrophobicContact CB-CB 4.44Å
462	F	98.7	Very high	96.1	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.9	167	-173.5	-105.4	0	0	0	109.5	Y444 E445 L447 H464 Q467 Q468 Y469	Y444-F462 CarbonylContact C-O 3.59Å; Y444-F462 VanDerWaalsContact CA-O 3.32Å; Y444-F462 WeakPolarHBondContact CA-O 3.4Å; E445-F462 HydrophobicContact CB-CB 4.49Å; E445-F462 PolarHBondContact N-O 2.86Å; E445-F462 PolarHBondContact O-N 2.79Å; E445-F462 VanDerWaalsContact O-N 3.16Å; L447-F462 HydrophobicContact CD1-CB 4.01Å; F462-H464 AromaticContact CD1-CD2 3.83Å; F462-H464 AromaticContact CD1-CE1 3.77Å; F462-H464 AromaticContact CD1-ND1 3.99Å; F462-H464 AromaticContact CD1-NE2 3.66Å; F462-H464 AromaticContact CE1-ND1 3.99Å; F462-Q467 VanDerWaalsContact CE2-C 3.46Å; F462-Q467 VanDerWaalsContact CZ-C 3.48Å; F462-Q467 HydrophobicContact CZ-CB 4.13Å; F462-Q468 WeakPolarHBondContact CD2-O 3.11Å; F462-Y469 HydrophobicContact CB-CD1 4.05Å; F462-Y469 HydrophobicContact CB-CE1 4.15Å; F462-Y469 AromaticContact CD2-CD1 3.63Å; F462-Y469 HydrophobicContact CD2-CD1 3.63Å; F462-Y469 HydrophobicContact CD2-CD2 4.47Å; F462-Y469 AromaticContact CD2-CE1 3.65Å; F462-Y469 HydrophobicContact CD2-CE1 3.65Å; F462-Y469 HydrophobicContact CD2-CE2 4.46Å; F462-Y469 HydrophobicContact CD2-CG 4.08Å; F462-Y469 HydrophobicContact CE2-CE1 4.49Å; F462-Y469 HydrophobicContact CG-CD1 4.32Å; F462-Y469 HydrophobicContact CG-CE1 4.28Å
463	D	98.6	Very high	96.4	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	103.6	179.5	-176.3	-17.2	0	0	0	109.4	R443 Y444 K465 Y466 Q467 Q468 V470	R443-D463 WeakPolarHBondContact CG-OD1 3.41Å; R443-D463 IonicContact CZ-OD1 2.74Å; R443-D463 IonicContact CZ-OD2 3.34Å; R443-D463 IonicContact NE-OD1 3.54Å; R443-D463 PolarHBondContact NE-OD1 2.79Å; R443-D463 IonicContact NE-OD2 3.65Å; R443-D463 PolarHBondContact NE-OD2 3.16Å; R443-D463 IonicContact NH2-OD1 2.96Å; R443-D463 IonicContact NH2-OD2 2.8Å; R443-D463 PolarHBondContact NH2-OD2 2.9Å; Y444-D463 HydrophobicContact CD1-CB 3.79Å; Y444-D463 HydrophobicContact CE1-CB 3.8Å; Y444-D463 WeakPolarHBondContact CE1-OD2 3.5Å; D463-K465 PolarHBondContact O-N 2.82Å; D463-K465 VanDerWaalsContact OD1-CB 3.31Å; D463-K465 WeakPolarHBondContact OD1-CB 3.48Å; D463-K465 PolarHBondContact OD1-N 3.18Å; D463-Y466 PolarHBondContact O-N 2.95Å; D463-Y466 PolarHBondContact OD1-N 3.31Å; D463-Y466 WeakPolarHBondContact OD2-CD2 3.42Å; D463-Q467 WeakPolarHBondContact O-CA 3.3Å; D463-Q467 PolarHBondContact O-N 2.9Å; D463-Q468 HydrophobicContact CB-CG 4.33Å; D463-Q468 PolarHBondContact N-O 2.9Å; D463-V470 HydrophobicContact CB-CG1 4.34Å
464	H	98.3	Very high	96.9	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.148	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10	-176.9	-77.5	-91	0	0	0	114.1	N373 F404 F405 R443 E445 F462 Q467	N373-H464 WeakPolarHBondContact CB-O 3.12Å; N373-H464 PolarHBondContact ND2-O 2.92Å; F404-H464 HydrophobicContact CB-CB 3.91Å; F405-H464 HydrophobicContact CB-CB 4Å; F405-H464 AromaticContact CD2-CD2 3.59Å; F405-H464 AromaticContact CD2-CE1 3.67Å; F405-H464 AromaticContact CD2-NE2 3.3Å; F405-H464 VanDerWaalsContact CD2-NE2 3.3Å; F405-H464 WeakPolarHBondContact CD2-NE2 3.22Å; F405-H464 AromaticContact CE2-NE2 3.65Å; F405-H464 AromaticContact CG-CD2 3.53Å; F405-H464 AromaticContact CG-NE2 3.72Å; R443-H464 WeakPolarHBondContact O-CB 3.42Å; R443-H464 PolarHBondContact O-N 3.12Å; E445-H464 IonicContact OE2-CE1 3.18Å; E445-H464 IonicContact OE2-NE2 2.79Å; E445-H464 PolarHBondContact OE2-NE2 3.2Å; F462-H464 AromaticContact CD1-CD2 3.83Å; F462-H464 AromaticContact CD1-CE1 3.77Å; F462-H464 AromaticContact CD1-ND1 3.99Å; F462-H464 AromaticContact CD1-NE2 3.66Å; F462-H464 AromaticContact CE1-ND1 3.99Å; H464-Q467 PolarHBondContact O-NE2 2.77Å
465	K	97.2	Very high	97.4	Very high	65 Å²	65	35.7 Å²	35.7	28%	0.283	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-46.9	171.7	-177.7	-175.3	-178.4	-164.7	0	111.4	F404 R443 D463	F404-K465 HydrophobicContact CD1-CB 3.9Å; F404-K465 HydrophobicContact CD1-CG 4.19Å; F404-K465 HydrophobicContact CD2-CB 4.21Å; F404-K465 HydrophobicContact CE1-CB 3.93Å; F404-K465 HydrophobicContact CE1-CD 4.33Å; F404-K465 HydrophobicContact CE1-CG 3.7Å; F404-K465 HydrophobicContact CE2-CB 4.23Å; F404-K465 HydrophobicContact CE2-CD 4.25Å; F404-K465 HydrophobicContact CE2-CG 4.31Å; F404-K465 HydrophobicContact CG-CB 4.05Å; F404-K465 HydrophobicContact CZ-CB 4.09Å; F404-K465 HydrophobicContact CZ-CD 3.88Å; F404-K465 HydrophobicContact CZ-CG 3.76Å; R443-K465 HydrophobicContact CG-CB 4.14Å; D463-K465 PolarHBondContact O-N 2.82Å; D463-K465 VanDerWaalsContact OD1-CB 3.31Å; D463-K465 WeakPolarHBondContact OD1-CB 3.48Å; D463-K465 PolarHBondContact OD1-N 3.18Å
466	Y	96.9	Very high	97.9	Very high	126 Å²	126	35.7 Å²	35.7	49%	0.494	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	3.5	-174.8	-64.6	-61.6	0	0	0	114.3	D463 Q468	D463-Y466 PolarHBondContact O-N 2.95Å; D463-Y466 PolarHBondContact OD1-N 3.31Å; D463-Y466 WeakPolarHBondContact OD2-CD2 3.42Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 2.62Å
467	Q	97.6	Very high	98	Very high	104 Å²	104	37.9 Å²	37.9	49%	0.486	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	41.1	176.1	-62.9	-65.7	-50.1	0	0	113.8	F462 D463 H464	F462-Q467 VanDerWaalsContact CE2-C 3.46Å; F462-Q467 VanDerWaalsContact CZ-C 3.48Å; F462-Q467 HydrophobicContact CZ-CB 4.13Å; D463-Q467 WeakPolarHBondContact O-CA 3.3Å; D463-Q467 PolarHBondContact O-N 2.9Å; H464-Q467 PolarHBondContact O-NE2 2.77Å
468	Q	97.8	Very high	98	Very high	84 Å²	84	40.2 Å²	40.2	39%	0.393	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.9	-176.3	62	175.6	-22.8	0	0	112.9	F462 D463 Y466 V470	F462-Q468 WeakPolarHBondContact CD2-O 3.11Å; D463-Q468 HydrophobicContact CB-CG 4.33Å; D463-Q468 PolarHBondContact N-O 2.9Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 2.62Å; Q468-V470 HydrophobicContact CG-CG1 4.3Å
469	Y	98.5	Very high	97.8	Very high	124 Å²	124	47.8 Å²	47.8	49%	0.486	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.4	172.9	-63.8	-71.4	0	0	0	111.5	L447 K460 A461 F462	L447-Y469 HydrophobicContact CD1-CD1 3.86Å; L447-Y469 HydrophobicContact CD1-CE1 3.56Å; K460-Y469 HydrophobicContact CD-CD1 4.43Å; K460-Y469 VanDerWaalsContact CE-CG 3.4Å; A461-Y469 WeakPolarHBondContact O-CA 3.46Å; F462-Y469 HydrophobicContact CB-CD1 4.05Å; F462-Y469 HydrophobicContact CB-CE1 4.15Å; F462-Y469 AromaticContact CD2-CD1 3.63Å; F462-Y469 HydrophobicContact CD2-CD1 3.63Å; F462-Y469 HydrophobicContact CD2-CD2 4.47Å; F462-Y469 AromaticContact CD2-CE1 3.65Å; F462-Y469 HydrophobicContact CD2-CE1 3.65Å; F462-Y469 HydrophobicContact CD2-CE2 4.46Å; F462-Y469 HydrophobicContact CD2-CG 4.08Å; F462-Y469 HydrophobicContact CE2-CE1 4.49Å; F462-Y469 HydrophobicContact CG-CD1 4.32Å; F462-Y469 HydrophobicContact CG-CE1 4.28Å
470	V	98.8	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.5	179.7	-60.3	0	0	0	0	111.2	Y444 A461 D463 Q468 L510 T522	Y444-V470 HydrophobicContact CD1-CG2 3.93Å; Y444-V470 HydrophobicContact CE1-CG2 4.14Å; A461-V470 HydrophobicContact CB-CG2 4.08Å; A461-V470 PolarHBondContact N-O 3.19Å; A461-V470 PolarHBondContact O-N 3.21Å; D463-V470 HydrophobicContact CB-CG1 4.34Å; Q468-V470 HydrophobicContact CG-CG1 4.3Å; V470-L510 HydrophobicContact CG1-CD1 3.85Å; V470-T522 HydrophobicContact CG2-CG2 4.46Å
471	A	98.7	Very high	97.4	Very high	11 Å²	11	51.6 Å²	51.6	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.6	160.2	0	0	0	0	0	108.8	I450 V458 I459 T522 F523 L525	I450-A471 HydrophobicContact CD1-CB 4.03Å; V458-A471 HydrophobicContact CG1-CB 4.3Å; I459-A471 CarbonylContact O-C 3.58Å; I459-A471 WeakPolarHBondContact O-CA 3.49Å; A471-T522 CarbonylContact O-C 3.53Å; A471-T522 VanDerWaalsContact O-CA 3.3Å; A471-T522 WeakPolarHBondContact O-CA 3.21Å; A471-F523 HydrophobicContact CB-CB 4.37Å; A471-F523 PolarHBondContact N-O 3.42Å; A471-F523 PolarHBondContact O-N 3.16Å; A471-L525 HydrophobicContact CB-CD1 4.1Å
472	L	98.8	Very high	97.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.9	-179.2	-169.2	164.4	0	0	0	109.2	I440 Y444 V458 I459 A461 L474 F513 C520 I521 T522	I440-L472 HydrophobicContact CB-CD1 4.29Å; I440-L472 HydrophobicContact CG2-CD1 4.1Å; Y444-L472 HydrophobicContact CD1-CD1 4.22Å; Y444-L472 HydrophobicContact CD2-CD1 3.95Å; Y444-L472 HydrophobicContact CG-CD1 3.76Å; V458-L472 CarbonylContact C-O 3.44Å; V458-L472 WeakPolarHBondContact CA-O 3.29Å; I459-L472 HydrophobicContact CD1-CB 4.35Å; I459-L472 HydrophobicContact CD1-CD2 4.46Å; I459-L472 HydrophobicContact CG1-CB 3.82Å; I459-L472 HydrophobicContact CG1-CD2 4.45Å; I459-L472 PolarHBondContact N-O 3.37Å; I459-L472 PolarHBondContact O-N 3.19Å; A461-L472 HydrophobicContact CB-CB 4.44Å; L472-L474 HydrophobicContact CD2-CD1 3.51Å; L472-L474 HydrophobicContact CD2-CG 3.66Å; L472-F513 HydrophobicContact CD1-CZ 4.28Å; L472-C520 HydrophobicContact CD2-CB 4.26Å; L472-I521 CarbonylContact C-O 3.53Å; L472-I521 WeakPolarHBondContact CA-O 3.27Å; L472-T522 HydrophobicContact CB-CG2 4.1Å; L472-T522 HydrophobicContact CD1-CG2 3.87Å; L472-T522 HydrophobicContact CG-CG2 3.72Å
473	K	98.4	Very high	97	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.4	177.3	-173	-179.9	-160.6	-178.2	0	108.5	F455 Q457 V458 E488 C520 I521 F523 D590	F455-K473 HydrophobicContact CD2-CG 4.34Å; F455-K473 HydrophobicContact CE2-CG 4.17Å; Q457-K473 CarbonylContact O-C 3.17Å; Q457-K473 WeakPolarHBondContact O-CA 3.2Å; V458-K473 HydrophobicContact CG2-CB 4.28Å; V458-K473 HydrophobicContact CG2-CG 4.16Å; K473-E488 IonicContact NZ-OE1 2.71Å; K473-E488 PolarHBondContact NZ-OE1 2.76Å; K473-E488 IonicContact NZ-OE2 3.98Å; K473-E488 PolarHBondContact NZ-OE2 2.72Å; K473-C520 WeakPolarHBondContact O-CA 3.29Å; K473-I521 PolarHBondContact N-O 2.83Å; K473-I521 PolarHBondContact O-N 3.44Å; K473-F523 HydrophobicContact CB-CE2 3.82Å; K473-F523 HydrophobicContact CD-CE2 4.18Å; K473-F523 HydrophobicContact CD-CZ 4.43Å; K473-D590 IonicContact NZ-OD1 3.76Å; K473-D590 PolarHBondContact NZ-OD1 3.38Å
474	L	98.3	Very high	96.8	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.8	168.6	-59.7	92.1	0	0	0	108.3	Y432 L434 I440 Q457 I459 L472	Y432-L474 HydrophobicContact CD1-CD2 3.79Å; Y432-L474 HydrophobicContact CG-CD2 4.01Å; L434-L474 HydrophobicContact CD2-CD1 4.04Å; L434-L474 HydrophobicContact CD2-CD2 4.04Å; I440-L474 HydrophobicContact CD1-CD2 3.98Å; Q457-L474 PolarHBondContact N-O 2.99Å; Q457-L474 PolarHBondContact O-N 2.9Å; I459-L474 HydrophobicContact CD1-CD1 4.06Å; I459-L474 HydrophobicContact CG1-CD1 4.05Å; I459-L474 HydrophobicContact CG2-CD1 4.27Å; L472-L474 HydrophobicContact CD2-CD1 3.51Å; L472-L474 HydrophobicContact CD2-CG 3.66Å
475	V	98.1	Very high	96.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.1	-178.2	-177.4	0	0	0	0	109.6	F455 F481 A485 H518 K519	F455-V475 WeakPolarHBondContact O-CA 3.33Å; V475-F481 HydrophobicContact CG1-CB 3.66Å; V475-A485 HydrophobicContact CB-CB 4.44Å; V475-A485 HydrophobicContact CG1-CB 4.09Å; V475-A485 HydrophobicContact CG2-CB 3.75Å; V475-H518 PolarHBondContact O-ND1 2.86Å; V475-K519 HydrophobicContact CB-CB 4.05Å; V475-K519 WeakPolarHBondContact CB-O 3.22Å; V475-K519 HydrophobicContact CG2-CB 4.09Å; V475-K519 WeakPolarHBondContact CG2-O 3.38Å; V475-K519 PolarHBondContact N-O 3.33Å
476	R	97.3	Very high	96.6	Very high	47 Å²	47	60.4 Å²	60.4	18%	0.177	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-55.7	135.5	176.7	-177.9	174.1	160.8	136.6	4	110.8	N429 G430 S454 F455 E478 F481 H482	N429-R476 PolarHBondContact O-NE 3.27Å; N429-R476 PolarHBondContact O-NH2 3.01Å; N429-R476 VanDerWaalsContact O-NH2 3.07Å; N429-R476 PolarHBondContact OD1-NH1 3Å; N429-R476 PolarHBondContact OD1-NH2 2.97Å; G430-R476 WeakPolarHBondContact O-CG 3.18Å; S454-R476 WeakPolarHBondContact O-CD 3.36Å; F455-R476 PolarHBondContact O-N 3.41Å; R476-E478 HydrophobicContact CG-CG 4.34Å; R476-E478 IonicContact CZ-OE1 2.66Å; R476-E478 IonicContact NE-OE1 3.78Å; R476-E478 PolarHBondContact NE-OE1 3.29Å; R476-E478 IonicContact NH2-OE1 3.79Å; R476-E478 PolarHBondContact NH2-OE1 2.92Å; R476-E478 PolarHBondContact O-N 3.13Å; R476-F481 HydrophobicContact CB-CD2 3.91Å; R476-F481 HydrophobicContact CB-CG 4.45Å; R476-F481 HydrophobicContact CG-CD2 4.08Å; R476-F481 HydrophobicContact CG-CE2 4.4Å; R476-H482 PolarHBondContact O-CD2 2.86Å
477	N	97	Very high	96.5	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	25%	0.25	S	S	.	.	S	Bend	trans	-73	61	-170	-171.5	9.1	0	0	0	112.7	D426 G430	D426-N477 VanDerWaalsContact OD2-CB 3.3Å; D426-N477 WeakPolarHBondContact OD2-CB 3.46Å; D426-N477 PolarHBondContact OD2-ND2 3.46Å; G430-N477 WeakPolarHBondContact O-CB 3.27Å; G430-N477 PolarHBondContact O-N 3.41Å
478	E	95.4	Very high	96.5	Very high	65 Å²	65	52.1 Å²	52.1	30%	0.304	23%	0.228	S	C	.	.	S	Bend	trans	-134.4	143	179.3	-64.7	-178.2	-165	0	0	111.8	R476 R480 F481 H482	R476-E478 HydrophobicContact CG-CG 4.34Å; R476-E478 IonicContact CZ-OE1 2.66Å; R476-E478 IonicContact NE-OE1 3.78Å; R476-E478 PolarHBondContact NE-OE1 3.29Å; R476-E478 IonicContact NH2-OE1 3.79Å; R476-E478 PolarHBondContact NH2-OE1 2.92Å; R476-E478 PolarHBondContact O-N 3.13Å; E478-R480 PolarHBondContact O-N 2.8Å; E478-F481 HydrophobicContact CB-CD2 4Å; E478-F481 HydrophobicContact CG-CD2 4.37Å; E478-F481 PolarHBondContact O-N 2.68Å; E478-F481 VanDerWaalsContact O-N 3.12Å; E478-F481 WeakPolarHBondContact OE2-CE2 3.45Å; E478-H482 PolarHBondContact O-N 3.13Å
479	K	94.3	Very high	96.5	Very high	185 Å²	185	48.9 Å²	48.9	80%	0.804	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.2	177.8	-60.3	179.8	-177.7	176.6	0	114.6	R483	K479-R483 PolarHBondContact O-NE 2.8Å
480	R	92.6	Very high	96.4	Very high	121 Å²	121	48.9 Å²	48.9	46%	0.457	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-59	170.4	-175.5	-178	179.9	-173.3	-1.2	110.9	E478 H482 R483 Q484	E478-R480 PolarHBondContact O-N 2.8Å; R480-H482 VanDerWaalsContact C-N 3.29Å; R480-H482 PolarHBondContact O-N 3.22Å; R480-R483 PolarHBondContact O-N 2.83Å; R480-Q484 PolarHBondContact O-N 2.82Å
481	F	94.9	Very high	96.3	Very high	21 Å²	21	48.9 Å²	48.9	9%	0.092	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-32.1	-177.5	-62.1	-61.4	0	0	0	112.2	S454 F455 V475 R476 E478 R483 Q484 A485	S454-F481 WeakPolarHBondContact O-CE2 3.49Å; S454-F481 WeakPolarHBondContact O-CZ 3.33Å; F455-F481 HydrophobicContact CB-CD1 4.29Å; V475-F481 HydrophobicContact CG1-CB 3.66Å; R476-F481 HydrophobicContact CB-CD2 3.91Å; R476-F481 HydrophobicContact CB-CG 4.45Å; R476-F481 HydrophobicContact CG-CD2 4.08Å; R476-F481 HydrophobicContact CG-CE2 4.4Å; E478-F481 HydrophobicContact CB-CD2 4Å; E478-F481 HydrophobicContact CG-CD2 4.37Å; E478-F481 PolarHBondContact O-N 2.68Å; E478-F481 VanDerWaalsContact O-N 3.12Å; E478-F481 WeakPolarHBondContact OE2-CE2 3.45Å; F481-R483 PolarHBondContact O-N 2.88Å; F481-Q484 PolarHBondContact O-N 2.85Å; F481-A485 WeakPolarHBondContact O-CB 3.37Å; F481-A485 PolarHBondContact O-N 2.75Å
482	H	96.2	Very high	96.3	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.167	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-42.3	173.2	-73.7	-171.4	0	0	0	112.9	R476 E478 R480 A485 D486 N517 K519	R476-H482 PolarHBondContact O-CD2 2.86Å; E478-H482 PolarHBondContact O-N 3.13Å; R480-H482 VanDerWaalsContact C-N 3.29Å; R480-H482 PolarHBondContact O-N 3.22Å; H482-A485 PolarHBondContact O-N 2.99Å; H482-D486 PolarHBondContact O-N 3.35Å; H482-D486 VanDerWaalsContact O-OD2 3.13Å; H482-N517 PolarHBondContact CE1-O 2.85Å; H482-K519 HydrophobicContact CB-CD 4.08Å
483	R	93.9	Very high	96.1	Very high	169 Å²	169	52 Å²	52	64%	0.638	23%	0.227	S	C	*	.	H	α-helix	trans	-69.5	-32.6	175.9	-72.8	-175.2	-68.5	153.3	-0.6	113	K479 R480 F481 E487	K479-R483 PolarHBondContact O-NE 2.8Å; R480-R483 PolarHBondContact O-N 2.83Å; F481-R483 PolarHBondContact O-N 2.88Å; R483-E487 PolarHBondContact O-N 3.03Å
484	Q	93.4	Very high	96	Very high	33 Å²	33	54.1 Å²	54.1	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-39.4	172.9	-71.8	-175.8	-84.2	0	0	111.6	R480 F481 E487 E488 G592	R480-Q484 PolarHBondContact O-N 2.82Å; F481-Q484 PolarHBondContact O-N 2.85Å; Q484-E487 PolarHBondContact O-N 3.01Å; Q484-E488 WeakPolarHBondContact O-CB 3.23Å; Q484-E488 PolarHBondContact O-N 3.4Å; Q484-G592 WeakPolarHBondContact CB-O 3.42Å; Q484-G592 PolarHBondContact NE2-O 3.47Å
485	A	96.8	Very high	95.9	Very high	2 Å²	2	54 Å²	54	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-38.4	175.9	0	0	0	0	0	112.8	V475 F481 H482 E488 I489 K519 I521	V475-A485 HydrophobicContact CB-CB 4.44Å; V475-A485 HydrophobicContact CG1-CB 4.09Å; V475-A485 HydrophobicContact CG2-CB 3.75Å; F481-A485 WeakPolarHBondContact O-CB 3.37Å; F481-A485 PolarHBondContact O-N 2.75Å; H482-A485 PolarHBondContact O-N 2.99Å; A485-E488 PolarHBondContact O-N 3.4Å; A485-I489 WeakPolarHBondContact O-CB 3.31Å; A485-I489 WeakPolarHBondContact O-CD1 3.32Å; A485-I489 WeakPolarHBondContact O-CG1 3.3Å; A485-I489 PolarHBondContact O-N 2.78Å; A485-K519 HydrophobicContact CB-CB 4.31Å; A485-K519 HydrophobicContact CB-CD 3.86Å; A485-I521 HydrophobicContact CB-CD1 4.33Å
486	D	96.1	Very high	95.7	Very high	76 Å²	76	58.3 Å²	58.3	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-41.3	174.6	-72.7	-40.4	0	0	0	112.1	H482 R490 K519	H482-D486 PolarHBondContact O-N 3.35Å; H482-D486 VanDerWaalsContact O-OD2 3.13Å; D486-R490 WeakPolarHBondContact O-CB 3.37Å; D486-R490 PolarHBondContact O-N 3.23Å; D486-R490 VanDerWaalsContact O-N 3.08Å; D486-K519 VanDerWaalsContact CG-CE 3.47Å; D486-K519 VanDerWaalsContact CG-NZ 3.28Å; D486-K519 VanDerWaalsContact OD1-CE 3.22Å; D486-K519 WeakPolarHBondContact OD1-CE 3.42Å; D486-K519 IonicContact OD1-NZ 3.79Å; D486-K519 PolarHBondContact OD1-NZ 2.85Å; D486-K519 WeakPolarHBondContact OD2-CE 3.35Å; D486-K519 IonicContact OD2-NZ 3.74Å; D486-K519 PolarHBondContact OD2-NZ 2.89Å
487	E	94.8	Very high	95.4	Very high	52 Å²	52	63.5 Å²	63.5	24%	0.243	27%	0.272	C	S	.	.	H	α-helix	trans	-73.3	-33.7	175.4	-164.9	63.3	-158.4	0	0	112	R483 Q484 R490 I491 F596	R483-E487 PolarHBondContact O-N 3.03Å; Q484-E487 PolarHBondContact O-N 3.01Å; E487-R490 VanDerWaalsContact CD-NH1 3.33Å; E487-R490 PolarHBondContact O-N 3.34Å; E487-R490 IonicContact OE1-CZ 2.77Å; E487-R490 IonicContact OE1-NH1 2.62Å; E487-R490 PolarHBondContact OE1-NH1 3.34Å; E487-R490 VanDerWaalsContact OE2-CD 3.29Å; E487-R490 WeakPolarHBondContact OE2-CD 3.28Å; E487-R490 IonicContact OE2-CZ 3.2Å; E487-R490 IonicContact OE2-NH1 3.35Å; E487-R490 PolarHBondContact OE2-NH1 2.88Å; E487-I491 HydrophobicContact CG-CD1 3.92Å; E487-I491 HydrophobicContact CG-CG1 4.39Å; E487-I491 WeakPolarHBondContact O-CB 3.29Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.46Å; E487-I491 PolarHBondContact O-N 3.46Å; E487-F596 WeakPolarHBondContact OE1-CE2 3.38Å
488	E	97.1	Very high	95.2	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-46.6	172.1	-176.7	169.6	-160.5	0	0	111.7	K473 Q484 A485 I491 L492 F591 G592	K473-E488 IonicContact NZ-OE1 2.71Å; K473-E488 PolarHBondContact NZ-OE1 2.76Å; K473-E488 IonicContact NZ-OE2 3.98Å; K473-E488 PolarHBondContact NZ-OE2 2.72Å; Q484-E488 WeakPolarHBondContact O-CB 3.23Å; Q484-E488 PolarHBondContact O-N 3.4Å; A485-E488 PolarHBondContact O-N 3.4Å; E488-I491 PolarHBondContact O-N 3.08Å; E488-L492 HydrophobicContact CG-CD1 3.87Å; E488-L492 WeakPolarHBondContact O-CB 3.33Å; E488-L492 VanDerWaalsContact O-CG 3.24Å; E488-L492 WeakPolarHBondContact O-CG 3.44Å; E488-L492 PolarHBondContact O-N 3.26Å; E488-F591 HydrophobicContact CG-CB 4.06Å; E488-F591 PolarHBondContact OE1-N 3.2Å; E488-G592 PolarHBondContact OE1-N 3.11Å
489	I	97.6	Very high	95.1	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.082	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-47.6	174.7	-69.8	160.8	0	0	0	110.2	A485 L492 D493 M509 Y512 I521	A485-I489 WeakPolarHBondContact O-CB 3.31Å; A485-I489 WeakPolarHBondContact O-CD1 3.32Å; A485-I489 WeakPolarHBondContact O-CG1 3.3Å; A485-I489 PolarHBondContact O-N 2.78Å; I489-L492 PolarHBondContact O-N 2.92Å; I489-D493 WeakPolarHBondContact O-CB 3.46Å; I489-D493 PolarHBondContact O-N 2.95Å; I489-M509 HydrophobicContact CB-SD 4.4Å; I489-M509 HydrophobicContact CG1-SD 4.07Å; I489-M509 HydrophobicContact CG2-CE 4.1Å; I489-M509 HydrophobicContact CG2-SD 4.23Å; I489-Y512 HydrophobicContact CD1-CD2 3.8Å; I489-Y512 HydrophobicContact CD1-CG 3.98Å; I489-Y512 HydrophobicContact CG1-CG 4.26Å; I489-Y512 HydrophobicContact CG2-CD1 3.88Å; I489-Y512 HydrophobicContact CG2-CD2 4.14Å; I489-Y512 HydrophobicContact CG2-CE1 3.89Å; I489-Y512 HydrophobicContact CG2-CE2 4.15Å; I489-Y512 HydrophobicContact CG2-CG 4.02Å; I489-I521 HydrophobicContact CD1-CD1 4.05Å; I489-I521 HydrophobicContact CD1-CG1 4.06Å; I489-I521 HydrophobicContact CG1-CD1 3.71Å; I489-I521 HydrophobicContact CG1-CG1 4.01Å
490	R	96.7	Very high	94.7	Very high	123 Å²	123	56.9 Å²	56.9	46%	0.464	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-45.5	179.6	-177	-170.2	-180	-152.3	-0.2	112.6	D486 E487 H494	D486-R490 WeakPolarHBondContact O-CB 3.37Å; D486-R490 PolarHBondContact O-N 3.23Å; D486-R490 VanDerWaalsContact O-N 3.08Å; E487-R490 VanDerWaalsContact CD-NH1 3.33Å; E487-R490 PolarHBondContact O-N 3.34Å; E487-R490 IonicContact OE1-CZ 2.77Å; E487-R490 IonicContact OE1-NH1 2.62Å; E487-R490 PolarHBondContact OE1-NH1 3.34Å; E487-R490 VanDerWaalsContact OE2-CD 3.29Å; E487-R490 WeakPolarHBondContact OE2-CD 3.28Å; E487-R490 IonicContact OE2-CZ 3.2Å; E487-R490 IonicContact OE2-NH1 3.35Å; E487-R490 PolarHBondContact OE2-NH1 2.88Å; R490-H494 WeakPolarHBondContact O-CB 3.47Å; R490-H494 PolarHBondContact O-N 2.89Å; R490-H494 VanDerWaalsContact O-N 3.14Å
491	I	97.2	Very high	94.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-44.6	179	-73.7	172.2	0	0	0	110.5	E487 E488 H494 L495 L566 F591 F596	E487-I491 HydrophobicContact CG-CD1 3.92Å; E487-I491 HydrophobicContact CG-CG1 4.39Å; E487-I491 WeakPolarHBondContact O-CB 3.29Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.46Å; E487-I491 PolarHBondContact O-N 3.46Å; E488-I491 PolarHBondContact O-N 3.08Å; I491-H494 PolarHBondContact O-N 3.31Å; I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 WeakPolarHBondContact O-CB 3.36Å; I491-L495 VanDerWaalsContact O-CG 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.48Å; I491-L495 PolarHBondContact O-N 3.46Å; I491-L566 HydrophobicContact CD1-CD2 3.91Å; I491-L566 HydrophobicContact CG1-CD2 3.92Å; I491-L566 HydrophobicContact CG2-CD1 4.05Å; I491-L566 HydrophobicContact CG2-CD2 4.13Å; I491-F591 HydrophobicContact CG2-CD1 3.89Å; I491-F596 HydrophobicContact CG1-CE2 4.02Å; I491-F596 HydrophobicContact CG1-CZ 4.38Å
492	L	97.4	Very high	94.2	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-40.2	-179.4	-71.8	172.2	0	0	0	112.9	E488 I489 H494 L495 R496 I506 I507 M509 F523 F591	E488-L492 HydrophobicContact CG-CD1 3.87Å; E488-L492 WeakPolarHBondContact O-CB 3.33Å; E488-L492 VanDerWaalsContact O-CG 3.24Å; E488-L492 WeakPolarHBondContact O-CG 3.44Å; E488-L492 PolarHBondContact O-N 3.26Å; I489-L492 PolarHBondContact O-N 2.92Å; L492-H494 VanDerWaalsContact C-N 3.33Å; L492-L495 PolarHBondContact O-N 2.71Å; L492-R496 VanDerWaalsContact O-CB 3.22Å; L492-R496 WeakPolarHBondContact O-CB 3.32Å; L492-R496 PolarHBondContact O-N 3.08Å; L492-I506 HydrophobicContact CD2-CG2 4.11Å; L492-I507 HydrophobicContact CD2-CG2 3.93Å; L492-M509 HydrophobicContact CD1-CB 4.45Å; L492-F523 HydrophobicContact CD1-CE1 3.71Å; L492-F523 HydrophobicContact CD1-CZ 4.37Å; L492-F591 HydrophobicContact CD2-CB 4.39Å; L492-F591 HydrophobicContact CD2-CD2 3.72Å; L492-F591 HydrophobicContact CD2-CE2 4.14Å; L492-F591 HydrophobicContact CD2-CG 4.02Å; L492-F591 HydrophobicContact CG-CB 4.39Å
493	D	95.8	Very high	94	Very high	73 Å²	73	57.4 Å²	57.4	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-37.9	174.5	-175.5	62.2	0	0	0	111.9	I489 R496 R497 M509	I489-D493 WeakPolarHBondContact O-CB 3.46Å; I489-D493 PolarHBondContact O-N 2.95Å; D493-R496 PolarHBondContact O-N 2.68Å; D493-R497 PolarHBondContact O-NE 3.05Å; D493-R497 IonicContact OD2-CZ 3.44Å; D493-R497 IonicContact OD2-NE 3.95Å; D493-R497 IonicContact OD2-NH2 3.86Å; D493-R497 PolarHBondContact OD2-NH2 3.28Å; D493-M509 HydrophobicContact CB-CE 4.34Å
494	H	95.4	Very high	94	Very high	53 Å²	53	51.2 Å²	51.2	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-39.8	173.9	-179.1	71.5	0	0	0	113.3	R490 I491 L492 Q498 N564	R490-H494 WeakPolarHBondContact O-CB 3.47Å; R490-H494 PolarHBondContact O-N 2.89Å; R490-H494 VanDerWaalsContact O-N 3.14Å; I491-H494 PolarHBondContact O-N 3.31Å; L492-H494 VanDerWaalsContact C-N 3.33Å; H494-Q498 PolarHBondContact NE2-NE2 2.75Å; H494-Q498 PolarHBondContact O-NE2 2.68Å; H494-Q498 VanDerWaalsContact O-NE2 3.15Å; H494-N564 PolarHBondContact NE2-OD1 3.27Å
495	L	96.1	Very high	94.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-74.4	-35.9	176.4	-71.4	165	0	0	0	112.5	I491 L492 R497 Q498 D499 I506 L560 L561 L566 F591	I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 WeakPolarHBondContact O-CB 3.36Å; I491-L495 VanDerWaalsContact O-CG 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.48Å; I491-L495 PolarHBondContact O-N 3.46Å; L492-L495 PolarHBondContact O-N 2.71Å; L495-R497 PolarHBondContact O-N 2.83Å; L495-Q498 CarbonylContact O-C 3.52Å; L495-Q498 WeakPolarHBondContact O-CA 3.2Å; L495-Q498 PolarHBondContact O-N 3Å; L495-D499 PolarHBondContact O-N 2.83Å; L495-I506 HydrophobicContact CB-CD1 4.31Å; L495-I506 HydrophobicContact CD1-CD1 4.15Å; L495-I506 HydrophobicContact CD1-CG2 4.44Å; L495-I506 HydrophobicContact CD2-CD1 4Å; L495-I506 HydrophobicContact CG-CD1 4.39Å; L495-L560 HydrophobicContact CD2-CD2 4.26Å; L495-L560 HydrophobicContact CD2-CG 4.2Å; L495-L561 HydrophobicContact CD1-CD2 3.79Å; L495-L561 HydrophobicContact CD2-CD2 3.8Å; L495-L561 HydrophobicContact CG-CD2 4.47Å; L495-L566 HydrophobicContact CD1-CD1 4.05Å; L495-L566 HydrophobicContact CD2-CD1 3.89Å; L495-L566 HydrophobicContact CG-CD1 4.01Å; L495-F591 HydrophobicContact CD1-CD1 4.29Å; L495-F591 HydrophobicContact CD1-CE1 3.85Å; L495-F591 HydrophobicContact CD1-CZ 4.4Å
496	R	93.7	Very high	94.3	Very high	94 Å²	94	50.2 Å²	50.2	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-27.2	-176.8	-176.7	57.9	178.1	129.5	9.4	113.3	L492 D493 Q498 D499 S500 H508	L492-R496 VanDerWaalsContact O-CB 3.22Å; L492-R496 WeakPolarHBondContact O-CB 3.32Å; L492-R496 PolarHBondContact O-N 3.08Å; D493-R496 PolarHBondContact O-N 2.68Å; R496-Q498 PolarHBondContact O-N 2.85Å; R496-D499 PolarHBondContact NH1-O 3.39Å; R496-D499 CarbonylContact O-C 3.57Å; R496-S500 PolarHBondContact NH1-O 3.14Å; R496-H508 PolarHBondContact NH1-CE1 3.47Å; R496-H508 PolarHBondContact NH1-NE2 2.81Å
497	R	91.8	Very high	94.4	Very high	156 Å²	156	47.1 Å²	47.1	59%	0.589	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-16	172.8	-62.6	-179.5	-127.3	120.9	-3.8	113.4	D493 L495	D493-R497 PolarHBondContact O-NE 3.05Å; D493-R497 IonicContact OD2-CZ 3.44Å; D493-R497 IonicContact OD2-NE 3.95Å; D493-R497 IonicContact OD2-NH2 3.86Å; D493-R497 PolarHBondContact OD2-NH2 3.28Å; L495-R497 PolarHBondContact O-N 2.83Å
498	Q	93.2	Very high	94.4	Very high	74 Å²	74	46 Å²	46	35%	0.346	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-31	-179.6	-63.3	169.8	73.8	0	0	112.5	H494 L495 R496 L560 N564	H494-Q498 PolarHBondContact NE2-NE2 2.75Å; H494-Q498 PolarHBondContact O-NE2 2.68Å; H494-Q498 VanDerWaalsContact O-NE2 3.15Å; L495-Q498 CarbonylContact O-C 3.52Å; L495-Q498 WeakPolarHBondContact O-CA 3.2Å; L495-Q498 PolarHBondContact O-N 3Å; R496-Q498 PolarHBondContact O-N 2.85Å; Q498-L560 HydrophobicContact CB-CD1 4.12Å; Q498-L560 HydrophobicContact CB-CD2 4.21Å; Q498-N564 PolarHBondContact NE2-ND2 3.12Å; Q498-N564 PolarHBondContact NE2-OD1 2.75Å; Q498-N564 PolarHBondContact OE1-ND2 3.29Å; Q498-N564 PolarHBondContact OE1-OD1 2.82Å
499	D	92	Very high	94.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.228	C	C	.	.			trans	-99.8	56	170	-158.2	26.1	0	0	0	110.5	L495 R496 G502 T503 H504 N505 I506 H508 L560	L495-D499 PolarHBondContact O-N 2.83Å; R496-D499 PolarHBondContact NH1-O 3.39Å; R496-D499 CarbonylContact O-C 3.57Å; D499-G502 WeakPolarHBondContact OD1-CA 3.15Å; D499-G502 PolarHBondContact OD1-N 2.95Å; D499-T503 PolarHBondContact OD1-N 2.91Å; D499-H504 HydrophobicContact CB-CB 4.2Å; D499-H504 WeakPolarHBondContact OD1-CB 3.3Å; D499-H504 IonicContact OD1-CG 2.99Å; D499-H504 PolarHBondContact OD1-N 3.35Å; D499-H504 IonicContact OD1-ND1 3.28Å; D499-H504 PolarHBondContact OD1-ND1 3.03Å; D499-N505 PolarHBondContact OD2-N 3.24Å; D499-I506 PolarHBondContact OD2-N 3.28Å; D499-I506 VanDerWaalsContact OD2-N 3.12Å; D499-H508 PolarHBondContact O-NE2 3.21Å; D499-L560 HydrophobicContact CB-CD2 4.29Å
500	S	85.7	Confident	94.4	Very high	85 Å²	85	50.3 Å²	50.3	59%	0.594	25%	0.245	S	C	*	.	S	Bend	trans	-70.7	-39.1	-178.6	57.6	0	0	0	0	111.9	R496	R496-S500 PolarHBondContact NH1-O 3.14Å
501	D	88.4	Confident	94.4	Very high	110 Å²	110	46.8 Å²	46.8	59%	0.588	24%	0.235	S	C	*	.	S	Bend	trans	-83.7	-12.9	176.2	65.3	8.8	0	0	0	114.2	T503	D501-T503 HydrophobicContact CB-CG2 4.37Å; D501-T503 WeakPolarHBondContact OD1-CB 3.45Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.41Å; D501-T503 PolarHBondContact OD1-N 2.95Å; D501-T503 PolarHBondContact OD1-OG1 2.97Å; D501-T503 VanDerWaalsContact OD2-CG2 3.28Å; D501-T503 WeakPolarHBondContact OD2-CG2 3.34Å; D501-T503 PolarHBondContact OD2-OG1 3.28Å
502	G	88.3	Confident	94.4	Very high	7 Å²	7	53.3 Å²	53.3	7%	0.072	26%	0.26	C	S	.	.	S	Bend	trans	76.1	19.8	179.7	0	0	0	0	0	114.8	D499 K579	D499-G502 WeakPolarHBondContact OD1-CA 3.15Å; D499-G502 PolarHBondContact OD1-N 2.95Å; G502-K579 PolarHBondContact O-NZ 3.49Å; G502-K579 VanDerWaalsContact O-NZ 3.16Å
503	T	92.4	Very high	94.5	Very high	72 Å²	72	55 Å²	55	44%	0.442	27%	0.267	S	S	.	.			trans	-73.1	-31	178.1	53.7	0	0	0	0	113.8	D499 D501 N505	D499-T503 PolarHBondContact OD1-N 2.91Å; D501-T503 HydrophobicContact CB-CG2 4.37Å; D501-T503 WeakPolarHBondContact OD1-CB 3.45Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.41Å; D501-T503 PolarHBondContact OD1-N 2.95Å; D501-T503 PolarHBondContact OD1-OG1 2.97Å; D501-T503 VanDerWaalsContact OD2-CG2 3.28Å; D501-T503 WeakPolarHBondContact OD2-CG2 3.34Å; D501-T503 PolarHBondContact OD2-OG1 3.28Å; T503-N505 PolarHBondContact O-N 2.65Å; T503-N505 PolarHBondContact O-ND2 2.76Å
504	H	95.1	Very high	94.6	Very high	39 Å²	39	56.4 Å²	56.4	18%	0.181	28%	0.275	C	S	.	.	S	Bend	trans	-77.9	-7.7	179	-54.1	84.4	0	0	0	112.9	D499 L556 C557 L560	D499-H504 HydrophobicContact CB-CB 4.2Å; D499-H504 WeakPolarHBondContact OD1-CB 3.3Å; D499-H504 IonicContact OD1-CG 2.99Å; D499-H504 PolarHBondContact OD1-N 3.35Å; D499-H504 IonicContact OD1-ND1 3.28Å; D499-H504 PolarHBondContact OD1-ND1 3.03Å; H504-L556 CarbonylContact O-C 3.52Å; H504-C557 WeakPolarHBondContact O-CA 3.47Å; H504-C557 VanDerWaalsContact O-CB 3.28Å; H504-C557 WeakPolarHBondContact O-CB 3.41Å; H504-C557 PolarHBondContact O-N 2.89Å; H504-L560 HydrophobicContact CB-CB 4.31Å; H504-L560 HydrophobicContact CB-CD2 3.74Å
505	N	97.3	Very high	94.7	Very high	10 Å²	10	54 Å²	54	5%	0.053	26%	0.264	C	S	.	.			trans	66.8	41.1	172.6	-50.5	-66.9	0	0	0	113.6	D499 T503 S553 K579 I586 K587 V588	D499-N505 PolarHBondContact OD2-N 3.24Å; T503-N505 PolarHBondContact O-N 2.65Å; T503-N505 PolarHBondContact O-ND2 2.76Å; N505-S553 PolarHBondContact ND2-O 3.45Å; N505-K579 WeakPolarHBondContact OD1-CE 3.32Å; N505-K579 PolarHBondContact OD1-NZ 2.82Å; N505-I586 HydrophobicContact CB-CD1 4.09Å; N505-I586 WeakPolarHBondContact CB-O 3.47Å; N505-I586 PolarHBondContact OD1-O 3.39Å; N505-K587 HydrophobicContact CB-CG 4.4Å; N505-K587 CarbonylContact O-C 3.59Å; N505-K587 WeakPolarHBondContact O-CA 3.2Å; N505-K587 WeakPolarHBondContact O-CB 3.47Å; N505-V588 PolarHBondContact O-N 3.23Å
506	I	97.7	Very high	94.7	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-99	142.9	173.4	-61.5	176.3	0	0	0	109.5	L492 L495 D499 H508 C557 L560 L561 K587 F591	L492-I506 HydrophobicContact CD2-CG2 4.11Å; L495-I506 HydrophobicContact CB-CD1 4.31Å; L495-I506 HydrophobicContact CD1-CD1 4.15Å; L495-I506 HydrophobicContact CD1-CG2 4.44Å; L495-I506 HydrophobicContact CD2-CD1 4Å; L495-I506 HydrophobicContact CG-CD1 4.39Å; D499-I506 PolarHBondContact OD2-N 3.28Å; D499-I506 VanDerWaalsContact OD2-N 3.12Å; I506-H508 PolarHBondContact O-CD2 3.45Å; I506-H508 PolarHBondContact O-N 2.9Å; I506-C557 HydrophobicContact CG1-CB 4.27Å; I506-L560 HydrophobicContact CD1-CD2 3.82Å; I506-L561 HydrophobicContact CD1-CD2 4.19Å; I506-K587 VanDerWaalsContact O-CD 3.32Å; I506-K587 WeakPolarHBondContact O-CD 3.48Å; I506-K587 VanDerWaalsContact O-CE 3.28Å; I506-K587 WeakPolarHBondContact O-CE 3.38Å; I506-K587 PolarHBondContact O-NZ 3.09Å; I506-F591 HydrophobicContact CG2-CE2 3.95Å; I506-F591 HydrophobicContact CG2-CZ 3.89Å
507	I	97.7	Very high	94.9	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.062	28%	0.277	C	S	.	.			trans	-58.7	130.6	175.5	-169.9	72.8	0	0	0	111.8	L492 F523 E524 L526 V588 I589 F591	L492-I507 HydrophobicContact CD2-CG2 3.93Å; I507-F523 HydrophobicContact CD1-CB 4.21Å; I507-F523 HydrophobicContact CG1-CB 4.02Å; I507-F523 HydrophobicContact CG1-CD1 3.55Å; I507-F523 HydrophobicContact CG1-CE1 4.31Å; I507-F523 HydrophobicContact CG1-CG 4.09Å; I507-F523 HydrophobicContact CG2-CD1 4.28Å; I507-F523 HydrophobicContact CG2-CE1 4.27Å; I507-E524 HydrophobicContact CD1-CG 3.63Å; I507-L526 HydrophobicContact CD1-CD1 3.5Å; I507-L526 HydrophobicContact CD1-CG 3.87Å; I507-V588 WeakPolarHBondContact CB-O 3.46Å; I507-V588 PolarHBondContact N-O 2.72Å; I507-V588 VanDerWaalsContact N-O 3.1Å; I507-I589 HydrophobicContact CB-CG2 4.12Å; I507-I589 HydrophobicContact CD1-CG2 4.14Å; I507-I589 HydrophobicContact CG1-CG2 4.34Å; I507-F591 HydrophobicContact CG2-CD2 4.32Å; I507-F591 HydrophobicContact CG2-CE2 4.34Å
508	H	96.4	Very high	95.2	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.125	25%	0.249	C	C	.	.			trans	-87.2	114.8	173.3	-60.4	168	0	0	0	109.9	R496 D499 I506 F523 E524 K587	R496-H508 PolarHBondContact NH1-CE1 3.47Å; R496-H508 PolarHBondContact NH1-NE2 2.81Å; D499-H508 PolarHBondContact O-NE2 3.21Å; I506-H508 PolarHBondContact O-CD2 3.45Å; I506-H508 PolarHBondContact O-N 2.9Å; H508-F523 WeakPolarHBondContact O-CA 3.25Å; H508-E524 WeakPolarHBondContact CB-OE1 3.18Å; H508-E524 IonicContact CD2-OE1 2.68Å; H508-E524 IonicContact CG-OE1 3.5Å; H508-E524 PolarHBondContact N-OE1 3.34Å; H508-E524 IonicContact ND1-OE1 3.36Å; H508-E524 PolarHBondContact O-N 2.94Å; H508-K587 PolarHBondContact CD2-NZ 3.41Å; H508-K587 PolarHBondContact CE1-NZ 3.46Å; H508-K587 PolarHBondContact ND1-NZ 3.16Å; H508-K587 PolarHBondContact NE2-NZ 3.29Å
509	M	97.2	Very high	95.4	Very high	30 Å²	30	45.9 Å²	45.9	15%	0.148	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.8	158.4	-179.8	175.1	67	0	0	109.3	I489 L492 D493 Y512 I521 T522 F523	I489-M509 HydrophobicContact CB-SD 4.4Å; I489-M509 HydrophobicContact CG1-SD 4.07Å; I489-M509 HydrophobicContact CG2-CE 4.1Å; I489-M509 HydrophobicContact CG2-SD 4.23Å; L492-M509 HydrophobicContact CD1-CB 4.45Å; D493-M509 HydrophobicContact CB-CE 4.34Å; M509-Y512 HydrophobicContact CE-CD1 4.04Å; M509-Y512 HydrophobicContact CE-CE1 4.49Å; M509-Y512 HydrophobicContact SD-CD1 4.02Å; M509-Y512 HydrophobicContact SD-CG 4.47Å; M509-I521 HydrophobicContact CG-CG2 3.72Å; M509-I521 HydrophobicContact SD-CG2 3.71Å; M509-T522 CarbonylContact C-O 3.22Å; M509-T522 WeakPolarHBondContact CA-O 3.31Å; M509-F523 HydrophobicContact CB-CD1 4.31Å; M509-F523 HydrophobicContact CB-CE1 4.34Å
510	L	96.5	Very high	95.7	Very high	82 Å²	82	45.9 Å²	45.9	43%	0.429	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-37.9	-179.2	-57.4	179.1	0	0	0	112.5	V470 T522	V470-L510 HydrophobicContact CG1-CD1 3.85Å; L510-T522 PolarHBondContact N-O 3.38Å
511	D	96.8	Very high	96.4	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	148.9	-172.4	-149.7	-36.1	0	0	0	109.2	R443 Y444 T522	R443-D511 IonicContact CZ-OD2 3.3Å; R443-D511 IonicContact NH1-OD2 3.02Å; R443-D511 PolarHBondContact NH1-OD2 3.3Å; R443-D511 IonicContact NH2-OD2 2.73Å; R443-D511 PolarHBondContact NH2-OD2 3.14Å; R443-D511 VanDerWaalsContact NH2-OD2 3.13Å; Y444-D511 PolarHBondContact OH-OD2 2.67Å; D511-T522 WeakPolarHBondContact CA-OG1 3.47Å; D511-T522 WeakPolarHBondContact CB-OG1 3.47Å; D511-T522 PolarHBondContact N-OG1 2.94Å; D511-T522 VanDerWaalsContact N-OG1 3.08Å; D511-T522 PolarHBondContact O-N 2.89Å; D511-T522 PolarHBondContact O-OG1 3.24Å
512	Y	97.9	Very high	96.8	Very high	137 Å²	137	36.6 Å²	36.6	54%	0.537	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.3	175.6	71.7	-89.1	0	0	0	111.5	I489 M509 C520	I489-Y512 HydrophobicContact CD1-CD2 3.8Å; I489-Y512 HydrophobicContact CD1-CG 3.98Å; I489-Y512 HydrophobicContact CG1-CG 4.26Å; I489-Y512 HydrophobicContact CG2-CD1 3.88Å; I489-Y512 HydrophobicContact CG2-CD2 4.14Å; I489-Y512 HydrophobicContact CG2-CE1 3.89Å; I489-Y512 HydrophobicContact CG2-CE2 4.15Å; I489-Y512 HydrophobicContact CG2-CG 4.02Å; M509-Y512 HydrophobicContact CE-CD1 4.04Å; M509-Y512 HydrophobicContact CE-CE1 4.49Å; M509-Y512 HydrophobicContact SD-CD1 4.02Å; M509-Y512 HydrophobicContact SD-CG 4.47Å; Y512-C520 WeakPolarHBondContact CA-O 3.47Å
513	F	98.1	Very high	97.3	Very high	39 Å²	39	37 Å²	37	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	174.6	-174	54.3	-89.1	0	0	0	111.4	I440 A441 Y444 L472 F515 C520 T522	I440-F513 HydrophobicContact CG2-CE2 3.77Å; I440-F513 HydrophobicContact CG2-CZ 3.96Å; A441-F513 HydrophobicContact CB-CD2 3.87Å; A441-F513 HydrophobicContact CB-CE2 3.49Å; A441-F513 VanDerWaalsContact CB-CE2 3.49Å; A441-F513 HydrophobicContact CB-CZ 4.05Å; Y444-F513 HydrophobicContact CD2-CE1 4.22Å; Y444-F513 AromaticContact CD2-CZ 3.85Å; Y444-F513 HydrophobicContact CD2-CZ 3.85Å; Y444-F513 HydrophobicContact CE2-CD1 4.46Å; Y444-F513 AromaticContact CE2-CE1 3.4Å; Y444-F513 HydrophobicContact CE2-CE1 3.4Å; Y444-F513 AromaticContact CE2-CZ 3.49Å; Y444-F513 HydrophobicContact CE2-CZ 3.49Å; Y444-F513 VanDerWaalsContact CE2-CZ 3.49Å; Y444-F513 AromaticContact CZ-CE1 3.95Å; L472-F513 HydrophobicContact CD1-CZ 4.28Å; F513-F515 HydrophobicContact CD2-CB 4.17Å; F513-F515 HydrophobicContact CE2-CB 4Å; F513-C520 HydrophobicContact CD1-CB 4.48Å; F513-C520 HydrophobicContact CD2-CB 3.76Å; F513-C520 HydrophobicContact CE1-CB 4.14Å; F513-C520 HydrophobicContact CE2-CB 3.34Å; F513-C520 HydrophobicContact CG-CB 4.3Å; F513-C520 HydrophobicContact CZ-CB 3.56Å; F513-C520 PolarHBondContact N-O 2.95Å; F513-C520 PolarHBondContact O-N 2.93Å; F513-T522 HydrophobicContact CE1-CG2 4.23Å
514	N	97.9	Very high	97.6	Very high	104 Å²	104	35.9 Å²	35.9	56%	0.556	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106	138.7	168.8	-51.5	-65.9	0	0	0	109.4	H518 K519	N514-H518 CarbonylContact C-O 3.52Å; N514-H518 VanDerWaalsContact CA-O 3.29Å; N514-H518 WeakPolarHBondContact CA-O 3.35Å; N514-K519 WeakPolarHBondContact OD1-CG 3.22Å
515	F	98.1	Very high	97.7	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126.7	174.5	174.6	-104.7	0	0	0	109.3	Y432 H439 I440 A441 F513 N517 H518	Y432-F515 HydrophobicContact CE2-CE1 4.25Å; Y432-F515 AromaticContact CZ-CE1 3.9Å; H439-F515 AromaticContact CE1-CE2 3.99Å; H439-F515 AromaticContact CE1-CZ 3.97Å; H439-F515 AromaticContact ND1-CE2 3.92Å; H439-F515 AromaticContact ND1-CZ 3.78Å; I440-F515 HydrophobicContact CB-CD1 4.44Å; I440-F515 HydrophobicContact CB-CE1 4.44Å; I440-F515 HydrophobicContact CD1-CD1 3.86Å; I440-F515 HydrophobicContact CD1-CE1 3.53Å; I440-F515 HydrophobicContact CD1-CZ 4.43Å; I440-F515 HydrophobicContact CG2-CB 4.21Å; I440-F515 HydrophobicContact CG2-CD1 3.78Å; I440-F515 HydrophobicContact CG2-CE1 4.27Å; I440-F515 HydrophobicContact CG2-CG 3.96Å; A441-F515 HydrophobicContact CB-CD2 4.16Å; A441-F515 VanDerWaalsContact N-CE2 3.26Å; F513-F515 HydrophobicContact CD2-CB 4.17Å; F513-F515 HydrophobicContact CE2-CB 4Å; F515-N517 VanDerWaalsContact C-N 3.29Å; F515-N517 PolarHBondContact O-N 3.37Å; F515-H518 PolarHBondContact N-O 2.95Å; F515-H518 WeakPolarHBondContact O-CB 3.45Å; F515-H518 PolarHBondContact O-N 3.38Å
516	R	97.2	Very high	97.7	Very high	14 Å²	14	37.7 Å²	37.7	5%	0.053	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	54.7	-178	-61.9	-179.4	-177.2	166.8	-1.2	112.3	F392 E393 E396 N422 Y425 Y432 H439 H518	F392-R516 HydrophobicContact CE1-CG 4.25Å; E393-R516 IonicContact OE1-CZ 3.18Å; E393-R516 IonicContact OE1-NH1 3.89Å; E393-R516 IonicContact OE1-NH2 2.76Å; E393-R516 PolarHBondContact OE1-NH2 2.99Å; E396-R516 WeakPolarHBondContact OE1-CG 3.37Å; E396-R516 IonicContact OE1-NE 2.67Å; E396-R516 PolarHBondContact OE1-NE 2.95Å; E396-R516 VanDerWaalsContact OE1-NE 3.13Å; E396-R516 IonicContact OE2-CZ 3.13Å; E396-R516 IonicContact OE2-NE 3.33Å; E396-R516 PolarHBondContact OE2-NE 2.89Å; E396-R516 IonicContact OE2-NH2 2.82Å; E396-R516 PolarHBondContact OE2-NH2 3.12Å; N422-R516 PolarHBondContact ND2-O 2.79Å; Y425-R516 VanDerWaalsContact CE1-NH1 3.34Å; Y432-R516 HydrophobicContact CE2-CB 4.1Å; Y432-R516 PolarHBondContact OH-NH1 3.05Å; H439-R516 PolarHBondContact CE1-NH2 2.94Å; R516-H518 PolarHBondContact O-CD2 3.46Å; R516-H518 VanDerWaalsContact O-CD2 3.24Å; R516-H518 PolarHBondContact O-N 3.08Å; R516-H518 VanDerWaalsContact O-N 3.08Å
517	N	96.8	Very high	97.7	Very high	109 Å²	109	38.9 Å²	38.9	58%	0.583	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	-8.4	-175.2	-65.2	-51.6	0	0	0	118.2	N422 H482 F515	N422-N517 PolarHBondContact OD1-ND2 2.71Å; H482-N517 PolarHBondContact CE1-O 2.85Å; F515-N517 VanDerWaalsContact C-N 3.29Å; F515-N517 PolarHBondContact O-N 3.37Å
518	H	98.4	Very high	97.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142.1	171.5	-61.9	-80	0	0	0	112.2	D426 G430 Y432 V475 N514 F515 R516	D426-H518 IonicContact OD1-CE1 3.05Å; D426-H518 IonicContact OD1-NE2 3.97Å; D426-H518 PolarHBondContact OD1-NE2 3.34Å; G430-H518 PolarHBondContact O-CE1 3.3Å; Y432-H518 WeakPolarHBondContact CB-NE2 3.35Å; Y432-H518 AromaticContact CD2-CD2 3.49Å; Y432-H518 VanDerWaalsContact CD2-CD2 3.49Å; Y432-H518 WeakPolarHBondContact CD2-CD2 3.5Å; Y432-H518 AromaticContact CD2-NE2 3.46Å; Y432-H518 WeakPolarHBondContact CD2-NE2 3.39Å; Y432-H518 AromaticContact CG-CD2 3.97Å; Y432-H518 AromaticContact CG-NE2 3.89Å; Y432-H518 PolarHBondContact N-CE1 2.95Å; V475-H518 PolarHBondContact O-ND1 2.86Å; N514-H518 CarbonylContact C-O 3.52Å; N514-H518 VanDerWaalsContact CA-O 3.29Å; N514-H518 WeakPolarHBondContact CA-O 3.35Å; F515-H518 PolarHBondContact N-O 2.95Å; F515-H518 WeakPolarHBondContact O-CB 3.45Å; F515-H518 PolarHBondContact O-N 3.38Å; R516-H518 PolarHBondContact O-CD2 3.46Å; R516-H518 VanDerWaalsContact O-CD2 3.24Å; R516-H518 PolarHBondContact O-N 3.08Å; R516-H518 VanDerWaalsContact O-N 3.08Å
519	K	98.1	Very high	97.7	Very high	31 Å²	31	40.3 Å²	40.3	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.4	158.1	-74.7	177.7	-175.1	-74.9	0	109.5	V475 H482 A485 D486 N514	V475-K519 HydrophobicContact CB-CB 4.05Å; V475-K519 WeakPolarHBondContact CB-O 3.22Å; V475-K519 HydrophobicContact CG2-CB 4.09Å; V475-K519 WeakPolarHBondContact CG2-O 3.38Å; V475-K519 PolarHBondContact N-O 3.33Å; H482-K519 HydrophobicContact CB-CD 4.08Å; A485-K519 HydrophobicContact CB-CB 4.31Å; A485-K519 HydrophobicContact CB-CD 3.86Å; D486-K519 VanDerWaalsContact CG-CE 3.47Å; D486-K519 VanDerWaalsContact CG-NZ 3.28Å; D486-K519 VanDerWaalsContact OD1-CE 3.22Å; D486-K519 WeakPolarHBondContact OD1-CE 3.42Å; D486-K519 IonicContact OD1-NZ 3.79Å; D486-K519 PolarHBondContact OD1-NZ 2.85Å; D486-K519 WeakPolarHBondContact OD2-CE 3.35Å; D486-K519 IonicContact OD2-NZ 3.74Å; D486-K519 PolarHBondContact OD2-NZ 2.89Å; N514-K519 WeakPolarHBondContact OD1-CG 3.22Å
520	C	98.6	Very high	97.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.3	178.2	-68.1	0	0	0	0	109.3	L472 K473 Y512 F513	L472-C520 HydrophobicContact CD2-CB 4.26Å; K473-C520 WeakPolarHBondContact O-CA 3.29Å; Y512-C520 WeakPolarHBondContact CA-O 3.47Å; F513-C520 HydrophobicContact CD1-CB 4.48Å; F513-C520 HydrophobicContact CD2-CB 3.76Å; F513-C520 HydrophobicContact CE1-CB 4.14Å; F513-C520 HydrophobicContact CE2-CB 3.34Å; F513-C520 HydrophobicContact CG-CB 4.3Å; F513-C520 HydrophobicContact CZ-CB 3.56Å; F513-C520 PolarHBondContact N-O 2.95Å; F513-C520 PolarHBondContact O-N 2.93Å
521	I	98.6	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.7	176	-49.7	171.3	0	0	0	108.1	L472 K473 A485 I489 M509 F523	L472-I521 CarbonylContact C-O 3.53Å; L472-I521 WeakPolarHBondContact CA-O 3.27Å; K473-I521 PolarHBondContact N-O 2.83Å; K473-I521 PolarHBondContact O-N 3.44Å; A485-I521 HydrophobicContact CB-CD1 4.33Å; I489-I521 HydrophobicContact CD1-CD1 4.05Å; I489-I521 HydrophobicContact CD1-CG1 4.06Å; I489-I521 HydrophobicContact CG1-CD1 3.71Å; I489-I521 HydrophobicContact CG1-CG1 4.01Å; M509-I521 HydrophobicContact CG-CG2 3.72Å; M509-I521 HydrophobicContact SD-CG2 3.71Å; I521-F523 HydrophobicContact CB-CE2 3.82Å; I521-F523 HydrophobicContact CB-CZ 3.98Å; I521-F523 HydrophobicContact CG2-CD2 4.33Å; I521-F523 HydrophobicContact CG2-CE1 3.97Å; I521-F523 HydrophobicContact CG2-CE2 3.59Å; I521-F523 HydrophobicContact CG2-CZ 3.4Å
522	T	98.6	Very high	97.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.7	175.5	61.4	0	0	0	0	111.9	Y444 V470 A471 L472 M509 L510 D511 F513	Y444-T522 HydrophobicContact CD1-CG2 4.46Å; Y444-T522 HydrophobicContact CE1-CG2 3.81Å; Y444-T522 HydrophobicContact CE2-CG2 4.41Å; V470-T522 HydrophobicContact CG2-CG2 4.46Å; A471-T522 CarbonylContact O-C 3.53Å; A471-T522 VanDerWaalsContact O-CA 3.3Å; A471-T522 WeakPolarHBondContact O-CA 3.21Å; L472-T522 HydrophobicContact CB-CG2 4.1Å; L472-T522 HydrophobicContact CD1-CG2 3.87Å; L472-T522 HydrophobicContact CG-CG2 3.72Å; M509-T522 CarbonylContact C-O 3.22Å; M509-T522 WeakPolarHBondContact CA-O 3.31Å; L510-T522 PolarHBondContact N-O 3.38Å; D511-T522 WeakPolarHBondContact CA-OG1 3.47Å; D511-T522 WeakPolarHBondContact CB-OG1 3.47Å; D511-T522 PolarHBondContact N-OG1 2.94Å; D511-T522 VanDerWaalsContact N-OG1 3.08Å; D511-T522 PolarHBondContact O-N 2.89Å; D511-T522 PolarHBondContact O-OG1 3.24Å; F513-T522 HydrophobicContact CE1-CG2 4.23Å
523	F	98.5	Very high	98	Very high	16 Å²	16	34.6 Å²	34.6	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.6	-175.2	-54.7	-91.4	0	0	0	110.9	A471 K473 L492 I507 H508 M509 I521 L525	A471-F523 HydrophobicContact CB-CB 4.37Å; A471-F523 PolarHBondContact N-O 3.42Å; A471-F523 PolarHBondContact O-N 3.16Å; K473-F523 HydrophobicContact CB-CE2 3.82Å; K473-F523 HydrophobicContact CD-CE2 4.18Å; K473-F523 HydrophobicContact CD-CZ 4.43Å; L492-F523 HydrophobicContact CD1-CE1 3.71Å; L492-F523 HydrophobicContact CD1-CZ 4.37Å; I507-F523 HydrophobicContact CD1-CB 4.21Å; I507-F523 HydrophobicContact CG1-CB 4.02Å; I507-F523 HydrophobicContact CG1-CD1 3.55Å; I507-F523 HydrophobicContact CG1-CE1 4.31Å; I507-F523 HydrophobicContact CG1-CG 4.09Å; I507-F523 HydrophobicContact CG2-CD1 4.28Å; I507-F523 HydrophobicContact CG2-CE1 4.27Å; H508-F523 WeakPolarHBondContact O-CA 3.25Å; M509-F523 HydrophobicContact CB-CD1 4.31Å; M509-F523 HydrophobicContact CB-CE1 4.34Å; I521-F523 HydrophobicContact CB-CE2 3.82Å; I521-F523 HydrophobicContact CB-CZ 3.98Å; I521-F523 HydrophobicContact CG2-CD2 4.33Å; I521-F523 HydrophobicContact CG2-CE1 3.97Å; I521-F523 HydrophobicContact CG2-CE2 3.59Å; I521-F523 HydrophobicContact CG2-CZ 3.4Å; F523-L525 PolarHBondContact O-N 2.74Å
524	E	97.3	Very high	98	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	136.5	164.8	68	-170.5	126.4	0	0	111.1	I507 H508 L526 K587	I507-E524 HydrophobicContact CD1-CG 3.63Å; H508-E524 WeakPolarHBondContact CB-OE1 3.18Å; H508-E524 IonicContact CD2-OE1 2.68Å; H508-E524 IonicContact CG-OE1 3.5Å; H508-E524 PolarHBondContact N-OE1 3.34Å; H508-E524 IonicContact ND1-OE1 3.36Å; H508-E524 PolarHBondContact O-N 2.94Å; E524-L526 HydrophobicContact CG-CD2 3.79Å; E524-L526 HydrophobicContact CG-CG 4.17Å; E524-L526 PolarHBondContact O-N 3.28Å; E524-K587 VanDerWaalsContact OE1-CD 3.25Å; E524-K587 WeakPolarHBondContact OE1-CD 3.48Å; E524-K587 WeakPolarHBondContact OE1-CE 3.44Å; E524-K587 IonicContact OE1-NZ 2.75Å; E524-K587 PolarHBondContact OE1-NZ 3.01Å; E524-K587 IonicContact OE2-NZ 2.71Å; E524-K587 PolarHBondContact OE2-NZ 3.23Å
525	L	98.1	Very high	98	Very high	60 Å²	60	32.2 Å²	32.2	31%	0.314	16%	0.157	S	C	.	.			trans	-82.5	101	179.9	-177.1	63.9	0	0	0	110.9	I450 K460 A471 F523	I450-L525 HydrophobicContact CD1-CD1 3.96Å; K460-L525 HydrophobicContact CD-CD2 3.88Å; K460-L525 HydrophobicContact CG-CD2 3.89Å; A471-L525 HydrophobicContact CB-CD1 4.1Å; F523-L525 PolarHBondContact O-N 2.74Å
526	L	97.8	Very high	98	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.136	18%	0.182	C	C	.	.			trans	-81.3	175.3	174.4	-56	-176.2	0	0	0	112.7	I507 E524 L577 K587 I589	I507-L526 HydrophobicContact CD1-CD1 3.5Å; I507-L526 HydrophobicContact CD1-CG 3.87Å; E524-L526 HydrophobicContact CG-CD2 3.79Å; E524-L526 HydrophobicContact CG-CG 4.17Å; E524-L526 PolarHBondContact O-N 3.28Å; L526-L577 HydrophobicContact CB-CB 4.02Å; L526-L577 HydrophobicContact CB-CD2 3.96Å; L526-L577 HydrophobicContact CD1-CB 3.77Å; L526-L577 HydrophobicContact CD1-CD2 4.3Å; L526-K587 HydrophobicContact CD1-CB 3.82Å; L526-K587 HydrophobicContact CD1-CD 4.44Å; L526-K587 HydrophobicContact CD1-CG 4.48Å; L526-K587 HydrophobicContact CD2-CD 4.32Å; L526-I589 HydrophobicContact CD1-CG2 4.13Å
527	S	97.1	Very high	98	Very high	30 Å²	30	41.2 Å²	41.2	21%	0.21	20%	0.195	C	C	.	.			trans	-88.7	-161.4	173	-160.4	0	0	0	0	111.5	L577 L578	S527-L577 WeakPolarHBondContact O-CD2 3.47Å; S527-L578 WeakPolarHBondContact CA-O 3.27Å; S527-L578 VanDerWaalsContact CB-O 3.29Å; S527-L578 WeakPolarHBondContact CB-O 3.36Å; S527-L578 PolarHBondContact N-O 2.78Å
528	I	96.9	Very high	98	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.164	20%	0.201	C	C	.	.			trans	-62.9	155.6	-177.2	54.8	155.5	0	0	0	113.9	E532 L533 L578	I528-E532 HydrophobicContact CB-CB 4.28Å; I528-E532 HydrophobicContact CD1-CB 4.38Å; I528-L533 HydrophobicContact CD1-CB 3.98Å; I528-L533 HydrophobicContact CD1-CD1 3.92Å; I528-L578 HydrophobicContact CG1-CD1 4.18Å; I528-L578 PolarHBondContact O-N 3.35Å
529	N	98	Very high	98	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-75.3	164.9	169.9	68.6	24.6	0	0	0	112.9	Y531 E532 L533 E574 V576 L577	N529-Y531 VanDerWaalsContact C-N 3.29Å; N529-Y531 PolarHBondContact O-N 3.12Å; N529-Y531 PolarHBondContact OD1-N 3.01Å; N529-E532 PolarHBondContact O-N 3.27Å; N529-E532 WeakPolarHBondContact OD1-CB 3.34Å; N529-E532 PolarHBondContact OD1-N 3.49Å; N529-L533 PolarHBondContact O-N 2.91Å; N529-L533 VanDerWaalsContact O-N 3.08Å; N529-E574 WeakPolarHBondContact CB-O 3.22Å; N529-E574 WeakPolarHBondContact ND2-CA 3.42Å; N529-E574 PolarHBondContact ND2-O 3.07Å; N529-V576 CarbonylContact C-O 3.59Å; N529-V576 VanDerWaalsContact CA-O 3.24Å; N529-V576 WeakPolarHBondContact CA-O 3.28Å; N529-L577 HydrophobicContact CB-CD1 3.6Å; N529-L577 HydrophobicContact CB-CG 4Å
530	L	98.6	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-26.9	-178	-66.2	-175	0	0	0	112.9	L533 I534 F550 P573 V576 L578 I586 L637	L530-L533 HydrophobicContact CD2-CD2 3.85Å; L530-L533 WeakPolarHBondContact O-CB 3.24Å; L530-L533 PolarHBondContact O-N 3.27Å; L530-I534 VanDerWaalsContact O-CG1 3.32Å; L530-I534 WeakPolarHBondContact O-CG1 3.32Å; L530-I534 PolarHBondContact O-N 2.93Å; L530-F550 HydrophobicContact CD1-CG 4.4Å; L530-F550 HydrophobicContact CD2-CD1 4.3Å; L530-F550 HydrophobicContact CD2-CE1 3.87Å; L530-F550 HydrophobicContact CD2-CE2 4.07Å; L530-F550 HydrophobicContact CD2-CZ 3.74Å; L530-P573 HydrophobicContact CB-CB 4.18Å; L530-P573 PolarHBondContact N-O 2.96Å; L530-V576 HydrophobicContact CD1-CB 3.9Å; L530-V576 HydrophobicContact CD1-CG1 3.6Å; L530-V576 HydrophobicContact CG-CB 4.14Å; L530-V576 HydrophobicContact CG-CG1 4.03Å; L530-V576 PolarHBondContact N-O 2.8Å; L530-L578 HydrophobicContact CD2-CD2 4.05Å; L530-I586 HydrophobicContact CD2-CG2 4.18Å; L530-L637 HydrophobicContact CB-CD2 4.15Å; L530-L637 HydrophobicContact CD1-CD1 4.09Å; L530-L637 HydrophobicContact CD1-CD2 4.09Å
531	Y	98.3	Very high	98	Very high	82 Å²	82	52 Å²	52	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-50.4	172.2	-178.3	-102.3	0	0	0	112.3	N529 L533 I534 K535 P573 E574	N529-Y531 VanDerWaalsContact C-N 3.29Å; N529-Y531 PolarHBondContact O-N 3.12Å; N529-Y531 PolarHBondContact OD1-N 3.01Å; Y531-L533 PolarHBondContact O-N 3.25Å; Y531-I534 PolarHBondContact O-N 3.4Å; Y531-K535 HydrophobicContact CE1-CD 4.32Å; Y531-K535 WeakPolarHBondContact O-CB 3.49Å; Y531-K535 PolarHBondContact O-N 2.85Å; Y531-P573 PolarHBondContact N-O 2.83Å; Y531-E574 HydrophobicContact CG-CG 4.34Å
532	E	98	Very high	98	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-23.4	174.5	-72.2	-64	137.5	0	0	112	I528 N529 K535 R536	I528-E532 HydrophobicContact CB-CB 4.28Å; I528-E532 HydrophobicContact CD1-CB 4.38Å; N529-E532 PolarHBondContact O-N 3.27Å; N529-E532 WeakPolarHBondContact OD1-CB 3.34Å; N529-E532 PolarHBondContact OD1-N 3.49Å; E532-K535 WeakPolarHBondContact OE1-CD 3.28Å; E532-K535 IonicContact OE1-NZ 3.62Å; E532-K535 PolarHBondContact OE1-NZ 3.03Å; E532-K535 IonicContact OE2-NZ 3.7Å; E532-K535 PolarHBondContact OE2-NZ 3.22Å; E532-R536 VanDerWaalsContact O-CB 3.31Å; E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 WeakPolarHBondContact O-CG 3.32Å; E532-R536 PolarHBondContact O-N 2.86Å
533	L	98.3	Very high	98	Very high	35 Å²	35	56.5 Å²	56.5	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-70.5	-45.7	171.1	-167.8	67.5	0	0	0	111.9	I528 N529 L530 Y531 K535 R536 N537 F542 F550 L578	I528-L533 HydrophobicContact CD1-CB 3.98Å; I528-L533 HydrophobicContact CD1-CD1 3.92Å; N529-L533 PolarHBondContact O-N 2.91Å; N529-L533 VanDerWaalsContact O-N 3.08Å; L530-L533 HydrophobicContact CD2-CD2 3.85Å; L530-L533 WeakPolarHBondContact O-CB 3.24Å; L530-L533 PolarHBondContact O-N 3.27Å; Y531-L533 PolarHBondContact O-N 3.25Å; L533-K535 VanDerWaalsContact C-N 3.3Å; L533-K535 PolarHBondContact O-N 3.37Å; L533-R536 PolarHBondContact O-N 3.11Å; L533-N537 WeakPolarHBondContact O-CB 3.36Å; L533-N537 PolarHBondContact O-N 3.18Å; L533-F542 HydrophobicContact CB-CZ 4.3Å; L533-F542 HydrophobicContact CD2-CE2 4.37Å; L533-F542 HydrophobicContact CD2-CZ 3.97Å; L533-F542 HydrophobicContact CG-CE1 4.33Å; L533-F542 HydrophobicContact CG-CE2 4.49Å; L533-F542 HydrophobicContact CG-CZ 3.73Å; L533-F550 HydrophobicContact CD2-CE2 4.2Å; L533-F550 HydrophobicContact CD2-CZ 3.8Å; L533-L578 HydrophobicContact CD1-CD1 4.05Å; L533-L578 HydrophobicContact CD2-CD1 4.2Å; L533-L578 HydrophobicContact CD2-CD2 4.28Å
534	I	98.6	Very high	97.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-45.7	174.6	-66.4	159.6	0	0	0	110.1	L530 Y531 N537 K538 F539 F542 E636 L637	L530-I534 VanDerWaalsContact O-CG1 3.32Å; L530-I534 WeakPolarHBondContact O-CG1 3.32Å; L530-I534 PolarHBondContact O-N 2.93Å; Y531-I534 PolarHBondContact O-N 3.4Å; I534-N537 CarbonylContact O-C 3.49Å; I534-N537 VanDerWaalsContact O-C 3.22Å; I534-N537 WeakPolarHBondContact O-CA 3.32Å; I534-N537 PolarHBondContact O-N 3.39Å; I534-N537 VanDerWaalsContact O-N 3.17Å; I534-K538 PolarHBondContact O-N 2.63Å; I534-F539 HydrophobicContact CG2-CD1 3.69Å; I534-F539 HydrophobicContact CG2-CE1 4.28Å; I534-F539 HydrophobicContact CG2-CG 4.43Å; I534-F539 PolarHBondContact O-N 2.98Å; I534-F542 HydrophobicContact CG1-CE2 3.64Å; I534-F542 HydrophobicContact CG1-CZ 4.13Å; I534-E636 HydrophobicContact CD1-CG 3.9Å; I534-L637 HydrophobicContact CD1-CD2 4.08Å; I534-L637 HydrophobicContact CG1-CD2 4.19Å
535	K	98.3	Very high	97.8	Very high	92 Å²	92	59.8 Å²	59.8	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-41.5	178.7	178.7	176.9	161.9	-140.6	0	112.8	Y531 E532 L533 N537 K538 F539	Y531-K535 HydrophobicContact CE1-CD 4.32Å; Y531-K535 WeakPolarHBondContact O-CB 3.49Å; Y531-K535 PolarHBondContact O-N 2.85Å; E532-K535 WeakPolarHBondContact OE1-CD 3.28Å; E532-K535 IonicContact OE1-NZ 3.62Å; E532-K535 PolarHBondContact OE1-NZ 3.03Å; E532-K535 IonicContact OE2-NZ 3.7Å; E532-K535 PolarHBondContact OE2-NZ 3.22Å; L533-K535 VanDerWaalsContact C-N 3.3Å; L533-K535 PolarHBondContact O-N 3.37Å; K535-N537 VanDerWaalsContact C-N 3.27Å; K535-N537 PolarHBondContact O-N 2.76Å; K535-K538 PolarHBondContact O-N 2.66Å; K535-F539 HydrophobicContact CB-CE1 4.19Å; K535-F539 HydrophobicContact CB-CE2 4.37Å; K535-F539 HydrophobicContact CB-CZ 3.81Å; K535-F539 HydrophobicContact CD-CZ 4.49Å; K535-F539 HydrophobicContact CG-CE2 4.2Å; K535-F539 HydrophobicContact CG-CZ 3.84Å
536	R	97.4	Very high	97.8	Very high	141 Å²	141	59.2 Å²	59.2	53%	0.532	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-35.8	170.2	-79.6	175.9	-176.4	-165.6	-2.5	112	E532 L533 K538	E532-R536 VanDerWaalsContact O-CB 3.31Å; E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 WeakPolarHBondContact O-CG 3.32Å; E532-R536 PolarHBondContact O-N 2.86Å; L533-R536 PolarHBondContact O-N 3.11Å; R536-K538 PolarHBondContact O-N 2.8Å
537	N	97.5	Very high	97.8	Very high	62 Å²	62	58 Å²	58	33%	0.332	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	22.5	171.9	-162.6	41.1	0	0	0	113.4	L533 I534 K535 F539 Q540 G541 F542	L533-N537 WeakPolarHBondContact O-CB 3.36Å; L533-N537 PolarHBondContact O-N 3.18Å; I534-N537 CarbonylContact O-C 3.49Å; I534-N537 VanDerWaalsContact O-C 3.22Å; I534-N537 WeakPolarHBondContact O-CA 3.32Å; I534-N537 PolarHBondContact O-N 3.39Å; I534-N537 VanDerWaalsContact O-N 3.17Å; K535-N537 VanDerWaalsContact C-N 3.27Å; K535-N537 PolarHBondContact O-N 2.76Å; N537-F539 PolarHBondContact O-N 3.4Å; N537-Q540 WeakPolarHBondContact O-CB 3.13Å; N537-Q540 WeakPolarHBondContact O-CG 3.19Å; N537-Q540 PolarHBondContact O-N 2.78Å; N537-G541 PolarHBondContact ND2-O 2.81Å; N537-F542 HydrophobicContact CB-CE1 3.67Å; N537-F542 HydrophobicContact CB-CZ 4.15Å; N537-F542 WeakPolarHBondContact ND2-CD1 3.42Å; N537-F542 VanDerWaalsContact ND2-CE1 3.34Å; N537-F542 WeakPolarHBondContact ND2-CE1 3.43Å
538	K	98.3	Very high	97.8	Very high	163 Å²	163	58 Å²	58	71%	0.709	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	35	174.3	-55.7	-179.7	-178.1	178.3	0	114.1	I534 K535 R536 Q540	I534-K538 PolarHBondContact O-N 2.63Å; K535-K538 PolarHBondContact O-N 2.66Å; R536-K538 PolarHBondContact O-N 2.8Å; K538-Q540 HydrophobicContact CB-CG 4.34Å; K538-Q540 PolarHBondContact O-N 3.07Å; K538-Q540 VanDerWaalsContact O-N 3.12Å; K538-Q540 PolarHBondContact O-NE2 2.83Å
539	F	98.2	Very high	97.8	Very high	64 Å²	64	60.9 Å²	60.9	28%	0.281	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	24.5	-178.3	-50.2	-86.5	0	0	0	114.5	I534 K535 N537 G541 G640 Y641	I534-F539 HydrophobicContact CG2-CD1 3.69Å; I534-F539 HydrophobicContact CG2-CE1 4.28Å; I534-F539 HydrophobicContact CG2-CG 4.43Å; I534-F539 PolarHBondContact O-N 2.98Å; K535-F539 HydrophobicContact CB-CE1 4.19Å; K535-F539 HydrophobicContact CB-CE2 4.37Å; K535-F539 HydrophobicContact CB-CZ 3.81Å; K535-F539 HydrophobicContact CD-CZ 4.49Å; K535-F539 HydrophobicContact CG-CE2 4.2Å; K535-F539 HydrophobicContact CG-CZ 3.84Å; N537-F539 PolarHBondContact O-N 3.4Å; F539-G541 VanDerWaalsContact C-N 3.26Å; F539-G541 PolarHBondContact O-N 3.13Å; F539-G640 WeakPolarHBondContact CD1-O 3.27Å; F539-Y641 HydrophobicContact CB-CD2 4.47Å; F539-Y641 HydrophobicContact CB-CE2 3.76Å; F539-Y641 VanDerWaalsContact O-CE2 3.28Å; F539-Y641 WeakPolarHBondContact O-CE2 3.46Å
540	Q	98.1	Very high	97.9	Very high	131 Å²	131	59.2 Å²	59.2	61%	0.612	28%	0.278	S	S	*	.			trans	-76.2	-11.9	178.7	-60.3	-55.4	-65.6	0	0	113.7	N537 K538	N537-Q540 WeakPolarHBondContact O-CB 3.13Å; N537-Q540 WeakPolarHBondContact O-CG 3.19Å; N537-Q540 PolarHBondContact O-N 2.78Å; K538-Q540 HydrophobicContact CB-CG 4.34Å; K538-Q540 PolarHBondContact O-N 3.07Å; K538-Q540 VanDerWaalsContact O-N 3.12Å; K538-Q540 PolarHBondContact O-NE2 2.83Å
541	G	97.9	Very high	97.9	Very high	10 Å²	10	59.2 Å²	59.2	10%	0.103	28%	0.278	C	S	.	.			trans	79.5	170	-173.4	0	0	0	0	0	113.5	N537 F539 L638	N537-G541 PolarHBondContact ND2-O 2.81Å; F539-G541 VanDerWaalsContact C-N 3.26Å; F539-G541 PolarHBondContact O-N 3.13Å; G541-L638 WeakPolarHBondContact CA-O 3.37Å
542	F	98.3	Very high	97.9	Very high	19 Å²	19	61.2 Å²	61.2	8%	0.083	29%	0.285	C	S	.	.			trans	-114.7	153	-177.2	-59.8	-56.8	0	0	0	112.1	L533 I534 N537 L546 V547 L637 L638	L533-F542 HydrophobicContact CB-CZ 4.3Å; L533-F542 HydrophobicContact CD2-CE2 4.37Å; L533-F542 HydrophobicContact CD2-CZ 3.97Å; L533-F542 HydrophobicContact CG-CE1 4.33Å; L533-F542 HydrophobicContact CG-CE2 4.49Å; L533-F542 HydrophobicContact CG-CZ 3.73Å; I534-F542 HydrophobicContact CG1-CE2 3.64Å; I534-F542 HydrophobicContact CG1-CZ 4.13Å; N537-F542 HydrophobicContact CB-CE1 3.67Å; N537-F542 HydrophobicContact CB-CZ 4.15Å; N537-F542 WeakPolarHBondContact ND2-CD1 3.42Å; N537-F542 VanDerWaalsContact ND2-CE1 3.34Å; N537-F542 WeakPolarHBondContact ND2-CE1 3.43Å; F542-L546 HydrophobicContact CB-CB 4.41Å; F542-L546 HydrophobicContact CB-CD2 4.13Å; F542-L546 HydrophobicContact CB-CG 4.44Å; F542-L546 HydrophobicContact CD1-CD2 3.93Å; F542-L546 HydrophobicContact CG-CD2 4.05Å; F542-V547 HydrophobicContact CB-CG2 4.02Å; F542-L637 WeakPolarHBondContact CB-O 3.49Å; F542-L637 HydrophobicContact CD2-CB 4.18Å; F542-L637 HydrophobicContact CD2-CD2 3.82Å; F542-L637 WeakPolarHBondContact CD2-O 3.07Å; F542-L637 HydrophobicContact CE2-CD2 3.7Å; F542-L637 PolarHBondContact N-O 3.45Å; F542-L638 PolarHBondContact N-O 3.36Å; F542-L638 WeakPolarHBondContact O-CD1 3.42Å
543	S	97.9	Very high	97.9	Very high	78 Å²	78	59.2 Å²	59.2	55%	0.545	28%	0.278	S	S	.	.			trans	-60.9	145	174.9	69.3	0	0	0	0	111.5	M545 L546 V547	S543-M545 PolarHBondContact O-N 2.73Å; S543-L546 PolarHBondContact O-N 3.02Å; S543-V547 PolarHBondContact O-N 2.95Å
544	L	96.3	Very high	97.9	Very high	38 Å²	38	57.6 Å²	57.6	20%	0.199	27%	0.27	C	S	.	.	H	α-helix	trans	-53.7	-26.4	178.6	-76.2	167.1	0	0	0	113.3	R548 L638 M725 D727 F730	L544-R548 WeakPolarHBondContact O-CB 3.38Å; L544-R548 PolarHBondContact O-N 2.8Å; L544-L638 HydrophobicContact CD2-CD1 3.74Å; L544-L638 HydrophobicContact CD2-CD2 3.95Å; L544-L638 HydrophobicContact CD2-CG 4.45Å; L544-L638 HydrophobicContact CG-CD1 3.88Å; L544-M725 WeakPolarHBondContact CD1-O 3.41Å; L544-D727 HydrophobicContact CD1-CB 4.02Å; L544-F730 HydrophobicContact CD2-CB 4.13Å; L544-F730 HydrophobicContact CD2-CD1 3.97Å; L544-F730 HydrophobicContact CD2-CD2 4.32Å; L544-F730 HydrophobicContact CD2-CE1 4.47Å; L544-F730 HydrophobicContact CD2-CG 3.86Å
545	M	95.9	Very high	97.9	Very high	95 Å²	95	57.5 Å²	57.5	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-69.2	-37.4	173.7	-67.6	-178.5	73.2	0	0	113.2	S543 K549 L761	S543-M545 PolarHBondContact O-N 2.73Å; M545-K549 WeakPolarHBondContact O-CG 3.4Å; M545-K549 PolarHBondContact O-N 3.21Å; M545-L761 HydrophobicContact CE-CD2 4.26Å
546	L	97.3	Very high	97.9	Very high	47 Å²	47	55 Å²	55	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-76.6	-41	175.7	-178.6	56.3	0	0	0	111	F542 S543 R548 K549 F550	F542-L546 HydrophobicContact CB-CB 4.41Å; F542-L546 HydrophobicContact CB-CD2 4.13Å; F542-L546 HydrophobicContact CB-CG 4.44Å; F542-L546 HydrophobicContact CD1-CD2 3.93Å; F542-L546 HydrophobicContact CG-CD2 4.05Å; S543-L546 PolarHBondContact O-N 3.02Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.03Å; L546-K549 PolarHBondContact O-N 3.16Å; L546-K549 VanDerWaalsContact O-N 3.1Å; L546-F550 HydrophobicContact CD1-CD2 4.26Å; L546-F550 HydrophobicContact CD1-CE1 4.27Å; L546-F550 HydrophobicContact CD1-CE2 3.72Å; L546-F550 HydrophobicContact CD1-CZ 3.73Å; L546-F550 HydrophobicContact CD2-CE2 4.04Å; L546-F550 HydrophobicContact CD2-CZ 4.41Å; L546-F550 HydrophobicContact CG-CD2 4.09Å; L546-F550 HydrophobicContact CG-CE2 3.57Å; L546-F550 HydrophobicContact CG-CZ 4.07Å; L546-F550 WeakPolarHBondContact O-CD2 3.28Å; L546-F550 PolarHBondContact O-N 3.39Å
547	V	98.6	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-41.4	172.5	-177.5	0	0	0	0	110.8	F542 S543 K549 F550 A551 L634 L637 L638 F730 W756	F542-V547 HydrophobicContact CB-CG2 4.02Å; S543-V547 PolarHBondContact O-N 2.95Å; V547-K549 PolarHBondContact O-N 3.27Å; V547-F550 PolarHBondContact O-N 2.9Å; V547-A551 WeakPolarHBondContact O-CB 3.27Å; V547-A551 PolarHBondContact O-N 2.91Å; V547-L634 HydrophobicContact CG1-CB 4.18Å; V547-L634 HydrophobicContact CG1-CD2 3.87Å; V547-L637 HydrophobicContact CG1-CB 4.43Å; V547-L637 HydrophobicContact CG2-CB 4.15Å; V547-L638 HydrophobicContact CG2-CB 4.18Å; V547-L638 HydrophobicContact CG2-CD1 4.47Å; V547-F730 HydrophobicContact CG1-CE2 4.12Å; V547-F730 HydrophobicContact CG1-CZ 4.29Å; V547-W756 HydrophobicContact CG1-CH2 4.18Å; V547-W756 HydrophobicContact CG1-CZ2 4.36Å
548	R	97.6	Very high	98	Very high	30 Å²	30	45.7 Å²	45.7	11%	0.113	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-40.6	173.6	-178.1	178.1	-63	106.8	10.8	113.3	L544 L546 A551 Y552 D727 W756 L757	L544-R548 WeakPolarHBondContact O-CB 3.38Å; L544-R548 PolarHBondContact O-N 2.8Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.03Å; R548-A551 PolarHBondContact O-N 2.99Å; R548-Y552 PolarHBondContact O-N 2.9Å; R548-D727 IonicContact NH2-OD2 3.98Å; R548-W756 HydrophobicContact CB-CH2 4.19Å; R548-W756 HydrophobicContact CB-CZ2 3.91Å; R548-W756 PolarHBondContact NE-O 3.37Å; R548-L757 HydrophobicContact CG-CD2 3.76Å
549	K	97.3	Very high	98	Very high	93 Å²	93	39 Å²	39	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-46.9	176.2	-74.9	180	178.3	-175.4	0	111.4	M545 L546 V547 A551 Y552 S553	M545-K549 WeakPolarHBondContact O-CG 3.4Å; M545-K549 PolarHBondContact O-N 3.21Å; L546-K549 PolarHBondContact O-N 3.16Å; L546-K549 VanDerWaalsContact O-N 3.1Å; V547-K549 PolarHBondContact O-N 3.27Å; K549-A551 PolarHBondContact O-N 3.19Å; K549-Y552 PolarHBondContact O-N 3.01Å; K549-S553 PolarHBondContact O-N 2.85Å; K549-S553 PolarHBondContact O-OG 2.85Å
550	F	98.6	Very high	98	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-40.8	175.8	-65.1	-43.1	0	0	0	112.3	L530 L533 L546 V547 Y552 S553 M554 L578 S584 I586 L637	L530-F550 HydrophobicContact CD1-CG 4.4Å; L530-F550 HydrophobicContact CD2-CD1 4.3Å; L530-F550 HydrophobicContact CD2-CE1 3.87Å; L530-F550 HydrophobicContact CD2-CE2 4.07Å; L530-F550 HydrophobicContact CD2-CZ 3.74Å; L533-F550 HydrophobicContact CD2-CE2 4.2Å; L533-F550 HydrophobicContact CD2-CZ 3.8Å; L546-F550 HydrophobicContact CD1-CD2 4.26Å; L546-F550 HydrophobicContact CD1-CE1 4.27Å; L546-F550 HydrophobicContact CD1-CE2 3.72Å; L546-F550 HydrophobicContact CD1-CZ 3.73Å; L546-F550 HydrophobicContact CD2-CE2 4.04Å; L546-F550 HydrophobicContact CD2-CZ 4.41Å; L546-F550 HydrophobicContact CG-CD2 4.09Å; L546-F550 HydrophobicContact CG-CE2 3.57Å; L546-F550 HydrophobicContact CG-CZ 4.07Å; L546-F550 WeakPolarHBondContact O-CD2 3.28Å; L546-F550 PolarHBondContact O-N 3.39Å; V547-F550 PolarHBondContact O-N 2.9Å; F550-Y552 PolarHBondContact O-N 3.44Å; F550-S553 PolarHBondContact O-N 3.44Å; F550-M554 HydrophobicContact CB-CE 4.18Å; F550-M554 WeakPolarHBondContact O-CB 3.34Å; F550-M554 WeakPolarHBondContact O-CE 3.32Å; F550-M554 WeakPolarHBondContact O-CG 3.49Å; F550-M554 PolarHBondContact O-N 3.28Å; F550-L578 HydrophobicContact CE1-CD2 3.83Å; F550-L578 HydrophobicContact CZ-CD2 4.1Å; F550-S584 WeakPolarHBondContact CE1-O 3.3Å; F550-I586 HydrophobicContact CD1-CG2 3.78Å; F550-I586 HydrophobicContact CE1-CG2 3.79Å; F550-L637 HydrophobicContact CB-CD1 4.18Å; F550-L637 HydrophobicContact CD2-CD1 4.14Å; F550-L637 HydrophobicContact CD2-CD2 4.33Å
551	A	98.7	Very high	98	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-51.1	174.4	0	0	0	0	0	112.1	V547 R548 K549 S553 M554 L555 L634 W756 L757	V547-A551 WeakPolarHBondContact O-CB 3.27Å; V547-A551 PolarHBondContact O-N 2.91Å; R548-A551 PolarHBondContact O-N 2.99Å; K549-A551 PolarHBondContact O-N 3.19Å; A551-S553 PolarHBondContact O-N 3.27Å; A551-M554 PolarHBondContact O-N 2.67Å; A551-L555 WeakPolarHBondContact O-CB 3.45Å; A551-L555 WeakPolarHBondContact O-CD1 3.22Å; A551-L555 VanDerWaalsContact O-CG 3.23Å; A551-L555 WeakPolarHBondContact O-CG 3.41Å; A551-L555 PolarHBondContact O-N 3.14Å; A551-L634 HydrophobicContact CB-CD1 3.72Å; A551-L634 HydrophobicContact CB-CD2 3.61Å; A551-L634 HydrophobicContact CB-CG 4.33Å; A551-W756 HydrophobicContact CB-CH2 3.74Å; A551-W756 HydrophobicContact CB-CZ3 3.58Å; A551-L757 HydrophobicContact CB-CD2 4.15Å
552	Y	98.3	Very high	98	Very high	123 Å²	123	32.4 Å²	32.4	48%	0.482	16%	0.16	S	C	.	.	H	α-helix	trans	-59.3	-48.3	178.5	-178.3	-98.3	0	0	0	112	R548 K549 F550 M554 L555 L556 L752	R548-Y552 PolarHBondContact O-N 2.9Å; K549-Y552 PolarHBondContact O-N 3.01Å; F550-Y552 PolarHBondContact O-N 3.44Å; Y552-M554 PolarHBondContact O-N 2.93Å; Y552-L555 PolarHBondContact O-N 2.97Å; Y552-L556 HydrophobicContact CD1-CD1 4.22Å; Y552-L556 HydrophobicContact CE1-CD1 3.7Å; Y552-L556 HydrophobicContact CE1-CG 4.23Å; Y552-L556 PolarHBondContact O-N 3.14Å; Y552-L556 VanDerWaalsContact O-N 3.15Å; Y552-L752 HydrophobicContact CD2-CD2 3.75Å; Y552-L752 HydrophobicContact CE2-CD2 3.8Å
553	S	98	Very high	98	Very high	20 Å²	20	38 Å²	38	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-36	179.8	-63.9	0	0	0	0	113.9	N505 K549 F550 A551	N505-S553 PolarHBondContact ND2-O 3.45Å; K549-S553 PolarHBondContact O-N 2.85Å; K549-S553 PolarHBondContact O-OG 2.85Å; F550-S553 PolarHBondContact O-N 3.44Å; A551-S553 PolarHBondContact O-N 3.27Å
554	M	98.8	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.8	-37.2	173.8	-72.6	-175.7	-73.5	0	0	111.9	F550 A551 Y552 L556 C557 L558 V576 I586 L630 I633 L634 L637	F550-M554 HydrophobicContact CB-CE 4.18Å; F550-M554 WeakPolarHBondContact O-CB 3.34Å; F550-M554 WeakPolarHBondContact O-CE 3.32Å; F550-M554 WeakPolarHBondContact O-CG 3.49Å; F550-M554 PolarHBondContact O-N 3.28Å; A551-M554 PolarHBondContact O-N 2.67Å; Y552-M554 PolarHBondContact O-N 2.93Å; M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.14Å; M554-C557 WeakPolarHBondContact O-CB 3.49Å; M554-C557 PolarHBondContact O-N 3.12Å; M554-C557 VanDerWaalsContact O-N 3.16Å; M554-L558 PolarHBondContact O-N 2.78Å; M554-V576 HydrophobicContact CG-CG1 4.23Å; M554-V576 HydrophobicContact CG-CG2 4.43Å; M554-V576 HydrophobicContact SD-CG1 4.29Å; M554-V576 HydrophobicContact SD-CG2 3.94Å; M554-I586 HydrophobicContact CG-CD1 4.18Å; M554-L630 HydrophobicContact CB-CD1 3.98Å; M554-L630 HydrophobicContact CE-CD1 3.56Å; M554-L630 HydrophobicContact SD-CD1 3.98Å; M554-I633 HydrophobicContact CE-CG2 4.03Å; M554-I633 HydrophobicContact SD-CG2 4.19Å; M554-L634 HydrophobicContact CE-CD2 3.69Å; M554-L634 HydrophobicContact CE-CG 4.49Å; M554-L637 HydrophobicContact CE-CD1 4.28Å
555	L	98.8	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-31.2	178.3	-77	167.4	0	0	0	113.6	A551 Y552 C557 L558 D559 M627 L630 F733 P748 A751 L752 L757	A551-L555 WeakPolarHBondContact O-CB 3.45Å; A551-L555 WeakPolarHBondContact O-CD1 3.22Å; A551-L555 VanDerWaalsContact O-CG 3.23Å; A551-L555 WeakPolarHBondContact O-CG 3.41Å; A551-L555 PolarHBondContact O-N 3.14Å; Y552-L555 PolarHBondContact O-N 2.97Å; L555-C557 VanDerWaalsContact C-N 3.25Å; L555-C557 PolarHBondContact O-N 3.44Å; L555-L558 PolarHBondContact O-N 2.71Å; L555-D559 VanDerWaalsContact O-CB 3.23Å; L555-D559 WeakPolarHBondContact O-CB 3.29Å; L555-D559 PolarHBondContact O-N 2.81Å; L555-M627 HydrophobicContact CD2-CE 3.99Å; L555-M627 HydrophobicContact CD2-SD 3.84Å; L555-L630 HydrophobicContact CD2-CD2 3.58Å; L555-L630 HydrophobicContact CG-CD2 3.92Å; L555-F733 HydrophobicContact CD1-CZ 4.17Å; L555-P748 HydrophobicContact CD2-CB 3.94Å; L555-A751 HydrophobicContact CD1-CB 3.84Å; L555-A751 HydrophobicContact CD2-CB 3.64Å; L555-A751 HydrophobicContact CG-CB 4.43Å; L555-L752 HydrophobicContact CB-CD2 3.67Å; L555-L752 HydrophobicContact CB-CG 3.96Å; L555-L752 HydrophobicContact CD1-CD2 4.18Å; L555-L752 HydrophobicContact CD1-CG 4.37Å; L555-L757 HydrophobicContact CD1-CD1 3.39Å
556	L	98.1	Very high	98.1	Very high	39 Å²	39	36 Å²	36	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-34.3	172.6	-66.3	176.8	0	0	0	112.2	H504 Y552 M554	H504-L556 CarbonylContact O-C 3.52Å; Y552-L556 HydrophobicContact CD1-CD1 4.22Å; Y552-L556 HydrophobicContact CE1-CD1 3.7Å; Y552-L556 HydrophobicContact CE1-CG 4.23Å; Y552-L556 PolarHBondContact O-N 3.14Å; Y552-L556 VanDerWaalsContact O-N 3.15Å; M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.14Å
557	C	98.6	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-55.1	171.8	172.4	0	0	0	0	110.3	H504 I506 M554 L555 D559 L560 L561 V588	H504-C557 WeakPolarHBondContact O-CA 3.47Å; H504-C557 VanDerWaalsContact O-CB 3.28Å; H504-C557 WeakPolarHBondContact O-CB 3.41Å; H504-C557 PolarHBondContact O-N 2.89Å; I506-C557 HydrophobicContact CG1-CB 4.27Å; M554-C557 WeakPolarHBondContact O-CB 3.49Å; M554-C557 PolarHBondContact O-N 3.12Å; M554-C557 VanDerWaalsContact O-N 3.16Å; L555-C557 VanDerWaalsContact C-N 3.25Å; L555-C557 PolarHBondContact O-N 3.44Å; C557-D559 VanDerWaalsContact C-N 3.27Å; C557-D559 PolarHBondContact O-N 3.09Å; C557-L560 PolarHBondContact O-N 3.4Å; C557-L561 WeakPolarHBondContact O-CG 3.32Å; C557-L561 PolarHBondContact O-N 2.77Å; C557-V588 HydrophobicContact CB-CG2 3.86Å
558	L	98.8	Very high	98.2	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-32.1	-175.6	-63	-179.7	0	0	0	113.3	M554 L555 L561 Q562 L571 D626 M627 L630 P748	M554-L558 PolarHBondContact O-N 2.78Å; L555-L558 PolarHBondContact O-N 2.71Å; L558-L561 HydrophobicContact CD2-CD1 4.29Å; L558-L561 PolarHBondContact O-N 3.47Å; L558-Q562 WeakPolarHBondContact O-CB 3.46Å; L558-Q562 PolarHBondContact O-N 2.89Å; L558-L571 HydrophobicContact CD1-CD2 4.16Å; L558-L571 HydrophobicContact CD2-CD2 4.29Å; L558-D626 HydrophobicContact CD2-CB 3.92Å; L558-M627 HydrophobicContact CD1-SD 3.94Å; L558-L630 HydrophobicContact CD1-CB 4.28Å; L558-L630 HydrophobicContact CD1-CD2 4.17Å; L558-P748 HydrophobicContact CB-CB 4.1Å; L558-P748 HydrophobicContact CB-CG 3.67Å
559	D	98.4	Very high	98.2	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-39.1	174.2	-171.2	73.5	0	0	0	112.1	L555 C557 Q562 K563 P748 A749 L752	L555-D559 VanDerWaalsContact O-CB 3.23Å; L555-D559 WeakPolarHBondContact O-CB 3.29Å; L555-D559 PolarHBondContact O-N 2.81Å; C557-D559 VanDerWaalsContact C-N 3.27Å; C557-D559 PolarHBondContact O-N 3.09Å; D559-Q562 PolarHBondContact O-N 2.82Å; D559-K563 WeakPolarHBondContact O-CD 3.21Å; D559-K563 VanDerWaalsContact O-CG 3.3Å; D559-K563 WeakPolarHBondContact O-CG 3.43Å; D559-K563 PolarHBondContact O-N 3.09Å; D559-K563 WeakPolarHBondContact OD2-CE 3.45Å; D559-K563 IonicContact OD2-NZ 2.65Å; D559-K563 PolarHBondContact OD2-NZ 3.03Å; D559-P748 HydrophobicContact CB-CB 3.91Å; D559-A749 WeakPolarHBondContact OD1-CB 3.48Å; D559-L752 HydrophobicContact CB-CD1 4.11Å
560	L	98.1	Very high	98.2	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-68.9	-38.2	172.5	-174.7	60.6	0	0	0	112.1	L495 Q498 D499 H504 I506 C557 K563 N564	L495-L560 HydrophobicContact CD2-CD2 4.26Å; L495-L560 HydrophobicContact CD2-CG 4.2Å; Q498-L560 HydrophobicContact CB-CD1 4.12Å; Q498-L560 HydrophobicContact CB-CD2 4.21Å; D499-L560 HydrophobicContact CB-CD2 4.29Å; H504-L560 HydrophobicContact CB-CB 4.31Å; H504-L560 HydrophobicContact CB-CD2 3.74Å; I506-L560 HydrophobicContact CD1-CD2 3.82Å; C557-L560 PolarHBondContact O-N 3.4Å; L560-K563 PolarHBondContact O-N 2.86Å; L560-N564 WeakPolarHBondContact CD1-ND2 3.46Å; L560-N564 PolarHBondContact O-N 2.81Å; L560-N564 VanDerWaalsContact O-N 3.13Å; L560-N564 PolarHBondContact O-ND2 3.15Å
561	L	98.4	Very high	98.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-44.5	173.7	-58.6	-167.5	0	0	0	111	L495 I506 C557 L558 K563 N564 R565 L566 H568 F591	L495-L561 HydrophobicContact CD1-CD2 3.79Å; L495-L561 HydrophobicContact CD2-CD2 3.8Å; L495-L561 HydrophobicContact CG-CD2 4.47Å; I506-L561 HydrophobicContact CD1-CD2 4.19Å; C557-L561 WeakPolarHBondContact O-CG 3.32Å; C557-L561 PolarHBondContact O-N 2.77Å; L558-L561 HydrophobicContact CD2-CD1 4.29Å; L558-L561 PolarHBondContact O-N 3.47Å; L561-K563 PolarHBondContact O-N 3.4Å; L561-N564 CarbonylContact O-C 3.47Å; L561-N564 PolarHBondContact O-N 2.88Å; L561-N564 VanDerWaalsContact O-N 3.09Å; L561-R565 PolarHBondContact O-N 3.45Å; L561-L566 HydrophobicContact CB-CB 4.16Å; L561-L566 HydrophobicContact CD2-CB 4.3Å; L561-L566 HydrophobicContact CD2-CD1 4.39Å; L561-L566 PolarHBondContact O-N 2.97Å; L561-H568 HydrophobicContact CD1-CB 4.02Å; L561-F591 HydrophobicContact CD1-CE1 4.03Å; L561-F591 HydrophobicContact CD2-CE1 3.86Å; L561-F591 HydrophobicContact CD2-CZ 4.42Å
562	Q	97.9	Very high	98.2	Very high	56 Å²	56	30 Å²	30	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-61.7	-43.7	177.1	-173.9	174.3	-77.5	0	0	112.1	L558 D559 N564 R565 M623	L558-Q562 WeakPolarHBondContact O-CB 3.46Å; L558-Q562 PolarHBondContact O-N 2.89Å; D559-Q562 PolarHBondContact O-N 2.82Å; Q562-N564 PolarHBondContact O-N 2.85Å; Q562-R565 PolarHBondContact O-N 3.33Å; Q562-M623 HydrophobicContact CB-SD 4.26Å; Q562-M623 HydrophobicContact CG-CE 4.39Å; Q562-M623 HydrophobicContact CG-SD 3.87Å
563	K	97.4	Very high	98.3	Very high	137 Å²	137	24.1 Å²	24.1	60%	0.596	11%	0.11	S	C	*	.	H	α-helix	trans	-56.8	-34.6	174	-75.8	161.1	173.7	161.1	0	112.7	D559 L560 L561	D559-K563 WeakPolarHBondContact O-CD 3.21Å; D559-K563 VanDerWaalsContact O-CG 3.3Å; D559-K563 WeakPolarHBondContact O-CG 3.43Å; D559-K563 PolarHBondContact O-N 3.09Å; D559-K563 WeakPolarHBondContact OD2-CE 3.45Å; D559-K563 IonicContact OD2-NZ 2.65Å; D559-K563 PolarHBondContact OD2-NZ 3.03Å; L560-K563 PolarHBondContact O-N 2.86Å; L561-K563 PolarHBondContact O-N 3.4Å
564	N	97.8	Very high	98.2	Very high	24 Å²	24	26.2 Å²	26.2	13%	0.128	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.3	178.5	-76.1	-85.2	0	0	0	114.2	H494 Q498 L560 L561 Q562 L566	H494-N564 PolarHBondContact NE2-OD1 3.27Å; Q498-N564 PolarHBondContact NE2-ND2 3.12Å; Q498-N564 PolarHBondContact NE2-OD1 2.75Å; Q498-N564 PolarHBondContact OE1-ND2 3.29Å; Q498-N564 PolarHBondContact OE1-OD1 2.82Å; L560-N564 WeakPolarHBondContact CD1-ND2 3.46Å; L560-N564 PolarHBondContact O-N 2.81Å; L560-N564 VanDerWaalsContact O-N 3.13Å; L560-N564 PolarHBondContact O-ND2 3.15Å; L561-N564 CarbonylContact O-C 3.47Å; L561-N564 PolarHBondContact O-N 2.88Å; L561-N564 VanDerWaalsContact O-N 3.09Å; Q562-N564 PolarHBondContact O-N 2.85Å; N564-L566 HydrophobicContact CB-CD1 3.85Å; N564-L566 HydrophobicContact CB-CG 4.19Å; N564-L566 PolarHBondContact O-N 3.15Å
565	R	97.8	Very high	98.2	Very high	142 Å²	142	26.8 Å²	26.8	54%	0.536	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	33.7	-173.1	-59.8	-175.4	64.3	-175.7	-2.1	113.7	L561 Q562 F596 D597	L561-R565 PolarHBondContact O-N 3.45Å; Q562-R565 PolarHBondContact O-N 3.33Å; R565-F596 CarbonylContact O-C 3.51Å; R565-F596 WeakPolarHBondContact O-CA 3.19Å; R565-D597 HydrophobicContact CB-CB 4.28Å; R565-D597 IonicContact CZ-OD2 3.05Å; R565-D597 IonicContact NE-OD2 2.68Å; R565-D597 IonicContact NH2-OD2 3.6Å; R565-D597 PolarHBondContact NH2-OD2 3.11Å; R565-D597 WeakPolarHBondContact O-CB 3.01Å; R565-D597 PolarHBondContact O-N 3.21Å
566	L	97.9	Very high	98.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.7	177.5	-78.7	165.5	0	0	0	111.1	I491 L495 L561 N564 F596	I491-L566 HydrophobicContact CD1-CD2 3.91Å; I491-L566 HydrophobicContact CG1-CD2 3.92Å; I491-L566 HydrophobicContact CG2-CD1 4.05Å; I491-L566 HydrophobicContact CG2-CD2 4.13Å; L495-L566 HydrophobicContact CD1-CD1 4.05Å; L495-L566 HydrophobicContact CD2-CD1 3.89Å; L495-L566 HydrophobicContact CG-CD1 4.01Å; L561-L566 HydrophobicContact CB-CB 4.16Å; L561-L566 HydrophobicContact CD2-CB 4.3Å; L561-L566 HydrophobicContact CD2-CD1 4.39Å; L561-L566 PolarHBondContact O-N 2.97Å; N564-L566 HydrophobicContact CB-CD1 3.85Å; N564-L566 HydrophobicContact CB-CG 4.19Å; N564-L566 PolarHBondContact O-N 3.15Å; L566-F596 HydrophobicContact CD1-CE1 4.28Å; L566-F596 HydrophobicContact CD2-CD1 3.56Å; L566-F596 HydrophobicContact CD2-CD2 4.08Å; L566-F596 HydrophobicContact CD2-CE1 3.6Å; L566-F596 HydrophobicContact CD2-CE2 4.09Å; L566-F596 HydrophobicContact CD2-CG 3.82Å; L566-F596 HydrophobicContact CD2-CZ 3.86Å; L566-F596 HydrophobicContact CG-CD1 3.9Å; L566-F596 HydrophobicContact CG-CE1 3.83Å; L566-F596 HydrophobicContact CG-CZ 4.47Å
567	I	98.4	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.7	174.5	-42.6	172.9	0	0	0	107.2	C569 S594 C595 D597 R600 Y621 M623 I625 D626	I567-C569 WeakPolarHBondContact CG2-SG 3.42Å; I567-S594 WeakPolarHBondContact O-CA 3.29Å; I567-S594 WeakPolarHBondContact O-CB 3.22Å; I567-C595 PolarHBondContact N-O 2.96Å; I567-C595 PolarHBondContact O-N 3.44Å; I567-C595 VanDerWaalsContact O-N 3.08Å; I567-D597 HydrophobicContact CD1-CB 4.39Å; I567-R600 HydrophobicContact CD1-CG 4.39Å; I567-Y621 HydrophobicContact CD1-CD2 4.17Å; I567-Y621 HydrophobicContact CD1-CE2 3.94Å; I567-M623 HydrophobicContact CG1-CG 3.95Å; I567-I625 HydrophobicContact CG2-CD1 3.61Å; I567-I625 HydrophobicContact CG2-CG1 3.69Å; I567-D626 VanDerWaalsContact CG2-OD2 3.28Å; I567-D626 WeakPolarHBondContact CG2-OD2 3.43Å
568	H	98.5	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.			trans	-71.4	-37.9	-179.9	-170.6	-96.7	0	0	0	111.6	L561 D570 L571 V588 I589 F591 S594 D626	L561-H568 HydrophobicContact CD1-CB 4.02Å; H568-D570 VanDerWaalsContact ND1-C 3.34Å; H568-D570 PolarHBondContact O-N 3.17Å; H568-L571 PolarHBondContact ND1-N 3.22Å; H568-L571 VanDerWaalsContact ND1-N 3.19Å; H568-V588 WeakPolarHBondContact NE2-CG1 3.46Å; H568-I589 PolarHBondContact NE2-O 3.01Å; H568-F591 AromaticContact CD2-CD1 3.95Å; H568-F591 AromaticContact CD2-CE1 3.71Å; H568-F591 AromaticContact CD2-CZ 3.82Å; H568-S594 WeakPolarHBondContact CA-OG 3.33Å; H568-S594 WeakPolarHBondContact O-CA 3.47Å; H568-S594 PolarHBondContact O-OG 2.66Å; H568-D626 PolarHBondContact N-OD2 3.38Å
569	C	98.1	Very high	98.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	64.9	-7.9	174.6	-64.7	0	0	0	0	117.2	I567 S593 I605 Q606 D626	I567-C569 WeakPolarHBondContact CG2-SG 3.42Å; C569-S593 VanDerWaalsContact CB-O 3.27Å; C569-S593 WeakPolarHBondContact CB-O 3.28Å; C569-I605 HydrophobicContact CB-CD1 4.21Å; C569-Q606 WeakPolarHBondContact O-CA 3.49Å; C569-Q606 WeakPolarHBondContact O-CG 3.48Å; C569-Q606 PolarHBondContact O-N 2.98Å; C569-D626 PolarHBondContact N-OD1 2.8Å
570	D	97.6	Very high	98	Very high	16 Å²	16	34.6 Å²	34.6	9%	0.086	16%	0.155	C	C	.	.			trans	-147.5	52	169.1	-162.8	29	0	0	0	113.2	H568 K572 N575 S607	H568-D570 VanDerWaalsContact ND1-C 3.34Å; H568-D570 PolarHBondContact O-N 3.17Å; D570-K572 IonicContact OD1-NZ 3.78Å; D570-K572 IonicContact OD2-NZ 3.22Å; D570-K572 PolarHBondContact OD2-NZ 2.97Å; D570-N575 PolarHBondContact O-ND2 2.81Å; D570-S607 VanDerWaalsContact OD1-CB 3.22Å; D570-S607 WeakPolarHBondContact OD1-CB 3.49Å; D570-S607 PolarHBondContact OD1-N 3.41Å; D570-S607 PolarHBondContact OD1-OG 3.08Å; D570-S607 PolarHBondContact OD2-OG 2.91Å
571	L	98.7	Very high	97.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.186	C	C	.	.			trans	-74.8	124.9	174.8	-168.8	75.8	0	0	0	110.4	L558 H568 V576 V588 S629 L630 I633	L558-L571 HydrophobicContact CD1-CD2 4.16Å; L558-L571 HydrophobicContact CD2-CD2 4.29Å; H568-L571 PolarHBondContact ND1-N 3.22Å; H568-L571 VanDerWaalsContact ND1-N 3.19Å; L571-V576 HydrophobicContact CD1-CG2 4.28Å; L571-V588 HydrophobicContact CD1-CG1 3.8Å; L571-V588 HydrophobicContact CD1-CG2 4.44Å; L571-S629 WeakPolarHBondContact O-CB 3.29Å; L571-L630 HydrophobicContact CD2-CB 4.43Å; L571-I633 HydrophobicContact CD2-CD1 3.95Å; L571-I633 HydrophobicContact CG-CD1 3.74Å
572	K	98.7	Very high	97.2	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.122	21%	0.212	C	C	.	.			trans	-161	163.8	-176.2	64	-166.9	-174.1	-151.1	0	111.4	D570 E574 N575 S607 Y610	D570-K572 IonicContact OD1-NZ 3.78Å; D570-K572 IonicContact OD2-NZ 3.22Å; D570-K572 PolarHBondContact OD2-NZ 2.97Å; K572-E574 WeakPolarHBondContact CB-OE2 3.46Å; K572-E574 HydrophobicContact CD-CB 4.45Å; K572-E574 HydrophobicContact CG-CB 4.18Å; K572-E574 VanDerWaalsContact CG-OE2 3.32Å; K572-E574 WeakPolarHBondContact CG-OE2 3.44Å; K572-E574 PolarHBondContact O-N 3.29Å; K572-E574 VanDerWaalsContact O-N 3.16Å; K572-N575 WeakPolarHBondContact CE-ND2 3.31Å; K572-N575 WeakPolarHBondContact CE-OD1 3.21Å; K572-N575 HydrophobicContact CG-CB 3.93Å; K572-N575 PolarHBondContact O-N 3.21Å; K572-S607 VanDerWaalsContact CD-OG 3.27Å; K572-S607 WeakPolarHBondContact CD-OG 3.37Å; K572-S607 PolarHBondContact NZ-OG 3.35Å; K572-Y610 HydrophobicContact CB-CD2 3.52Å; K572-Y610 HydrophobicContact CB-CE2 3.49Å; K572-Y610 VanDerWaalsContact CB-CE2 3.49Å; K572-Y610 HydrophobicContact CB-CG 4.24Å
573	P	98.7	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.5	-24.6	-179.3	-21.4	34.1	0	0	0	113.9	L530 Y531 Y610 I633	L530-P573 HydrophobicContact CB-CB 4.18Å; L530-P573 PolarHBondContact N-O 2.96Å; Y531-P573 PolarHBondContact N-O 2.83Å; P573-Y610 WeakPolarHBondContact CD-OH 3.41Å; P573-Y610 HydrophobicContact CG-CE1 4.02Å; P573-I633 HydrophobicContact CG-CG1 4.16Å; P573-I633 HydrophobicContact CG-CG2 4.39Å
574	E	97.8	Very high	96.9	Very high	64 Å²	64	44.9 Å²	44.9	30%	0.299	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.2	-27.4	173.8	-54.6	95.9	126.1	0	0	113.4	N529 Y531 K572 L577	N529-E574 WeakPolarHBondContact CB-O 3.22Å; N529-E574 WeakPolarHBondContact ND2-CA 3.42Å; N529-E574 PolarHBondContact ND2-O 3.07Å; Y531-E574 HydrophobicContact CG-CG 4.34Å; K572-E574 WeakPolarHBondContact CB-OE2 3.46Å; K572-E574 HydrophobicContact CD-CB 4.45Å; K572-E574 HydrophobicContact CG-CB 4.18Å; K572-E574 VanDerWaalsContact CG-OE2 3.32Å; K572-E574 WeakPolarHBondContact CG-OE2 3.44Å; K572-E574 PolarHBondContact O-N 3.29Å; K572-E574 VanDerWaalsContact O-N 3.16Å; E574-L577 WeakPolarHBondContact O-CD1 3.42Å
575	N	98.5	Very high	96.9	Very high	11 Å²	11	45 Å²	45	6%	0.059	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-98.7	16.3	-177.6	-72	5	0	0	0	112.9	D570 K572 I589	D570-N575 PolarHBondContact O-ND2 2.81Å; K572-N575 WeakPolarHBondContact CE-ND2 3.31Å; K572-N575 WeakPolarHBondContact CE-OD1 3.21Å; K572-N575 HydrophobicContact CG-CB 3.93Å; K572-N575 PolarHBondContact O-N 3.21Å; N575-I589 HydrophobicContact CB-CG1 4.15Å; N575-I589 PolarHBondContact O-N 3.19Å
576	V	98.7	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.5	171.6	-176.5	0	0	0	0	108.3	N529 L530 M554 L571 I586 K587 V588	N529-V576 CarbonylContact C-O 3.59Å; N529-V576 VanDerWaalsContact CA-O 3.24Å; N529-V576 WeakPolarHBondContact CA-O 3.28Å; L530-V576 HydrophobicContact CD1-CB 3.9Å; L530-V576 HydrophobicContact CD1-CG1 3.6Å; L530-V576 HydrophobicContact CG-CB 4.14Å; L530-V576 HydrophobicContact CG-CG1 4.03Å; L530-V576 PolarHBondContact N-O 2.8Å; M554-V576 HydrophobicContact CG-CG1 4.23Å; M554-V576 HydrophobicContact CG-CG2 4.43Å; M554-V576 HydrophobicContact SD-CG1 4.29Å; M554-V576 HydrophobicContact SD-CG2 3.94Å; L571-V576 HydrophobicContact CD1-CG2 4.28Å; V576-I586 HydrophobicContact CG1-CB 3.75Å; V576-I586 HydrophobicContact CG1-CD1 4.06Å; V576-I586 HydrophobicContact CG1-CG1 3.85Å; V576-I586 HydrophobicContact CG1-CG2 4.02Å; V576-K587 WeakPolarHBondContact CA-O 3.48Å; V576-V588 HydrophobicContact CG2-CG2 4.47Å
577	L	98.6	Very high	97	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.4	-172.6	-83.2	63.4	0	0	0	111.6	L526 S527 N529 E574 I586 K587 I589	L526-L577 HydrophobicContact CB-CB 4.02Å; L526-L577 HydrophobicContact CB-CD2 3.96Å; L526-L577 HydrophobicContact CD1-CB 3.77Å; L526-L577 HydrophobicContact CD1-CD2 4.3Å; S527-L577 WeakPolarHBondContact O-CD2 3.47Å; N529-L577 HydrophobicContact CB-CD1 3.6Å; N529-L577 HydrophobicContact CB-CG 4Å; E574-L577 WeakPolarHBondContact O-CD1 3.42Å; L577-I586 CarbonylContact O-C 3.56Å; L577-I586 WeakPolarHBondContact O-CA 3.5Å; L577-I586 WeakPolarHBondContact O-CB 3.45Å; L577-K587 PolarHBondContact N-O 3.23Å; L577-K587 PolarHBondContact O-N 2.95Å; L577-I589 HydrophobicContact CB-CG2 4.47Å; L577-I589 HydrophobicContact CD1-CD1 3.46Å; L577-I589 VanDerWaalsContact CD1-CD1 3.46Å; L577-I589 HydrophobicContact CD1-CG1 3.74Å; L577-I589 HydrophobicContact CD1-CG2 4.03Å; L577-I589 HydrophobicContact CD2-CD1 4.13Å; L577-I589 HydrophobicContact CD2-CG2 4.34Å; L577-I589 HydrophobicContact CG-CD1 4.46Å
578	L	98.4	Very high	97	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.1	169.6	-64.8	-177.7	0	0	0	110	S527 I528 L530 L533 F550 Q580 I586	S527-L578 WeakPolarHBondContact CA-O 3.27Å; S527-L578 VanDerWaalsContact CB-O 3.29Å; S527-L578 WeakPolarHBondContact CB-O 3.36Å; S527-L578 PolarHBondContact N-O 2.78Å; I528-L578 HydrophobicContact CG1-CD1 4.18Å; I528-L578 PolarHBondContact O-N 3.35Å; L530-L578 HydrophobicContact CD2-CD2 4.05Å; L533-L578 HydrophobicContact CD1-CD1 4.05Å; L533-L578 HydrophobicContact CD2-CD1 4.2Å; L533-L578 HydrophobicContact CD2-CD2 4.28Å; F550-L578 HydrophobicContact CE1-CD2 3.83Å; F550-L578 HydrophobicContact CZ-CD2 4.1Å; L578-Q580 PolarHBondContact O-N 3.08Å; L578-I586 HydrophobicContact CD2-CG2 3.84Å
579	K	96.4	Very high	96.9	Very high	74 Å²	74	40 Å²	40	32%	0.322	21%	0.208	S	C	.	.	S	Bend	trans	-58.5	-39.6	173	-65.6	-170.7	-168.4	-173.5	0	111.2	G502 N505 G585 I586 K587	G502-K579 PolarHBondContact O-NZ 3.49Å; G502-K579 VanDerWaalsContact O-NZ 3.16Å; N505-K579 WeakPolarHBondContact OD1-CE 3.32Å; N505-K579 PolarHBondContact OD1-NZ 2.82Å; K579-G585 PolarHBondContact N-O 3.15Å; K579-I586 WeakPolarHBondContact CE-O 3.45Å; K579-K587 HydrophobicContact CD-CG 4.31Å; K579-K587 HydrophobicContact CG-CG 4.04Å
580	Q	95	Very high	96.8	Very high	126 Å²	126	41 Å²	41	59%	0.589	21%	0.212	S	C	*	.	S	Bend	trans	-147.1	149.6	-179.3	-67.8	178.1	-17.5	0	0	111	L578 R583	L578-Q580 PolarHBondContact O-N 3.08Å; Q580-R583 HydrophobicContact CB-CB 4.27Å; Q580-R583 HydrophobicContact CB-CG 4.1Å; Q580-R583 PolarHBondContact O-N 3.41Å
581	Q	91.4	Very high	96.8	Very high	145 Å²	145	40.3 Å²	40.3	68%	0.678	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	136.2	175.2	-179.6	165	-40.3	0	0	110.9	R583	Q581-R583 PolarHBondContact O-N 3.07Å
582	G	89.8	Confident	96.5	Very high	56 Å²	56	40.8 Å²	40.8	58%	0.577	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	0.4	-179.4	0	0	0	0	0	115.2
583	R	94.4	Very high	96.3	Very high	175 Å²	175	41.4 Å²	41.4	66%	0.66	22%	0.222	S	C	*	.			trans	-109.2	159.2	171.6	-57.6	-62.3	-173.9	154.1	0.6	109.9	Q580 Q581	Q580-R583 HydrophobicContact CB-CB 4.27Å; Q580-R583 HydrophobicContact CB-CG 4.1Å; Q580-R583 PolarHBondContact O-N 3.41Å; Q581-R583 PolarHBondContact O-N 3.07Å
584	S	94.4	Very high	96.2	Very high	42 Å²	42	42 Å²	42	29%	0.294	23%	0.226	S	C	.	.			trans	-103.5	-1	-176.9	37.7	0	0	0	0	114.8	F550	F550-S584 WeakPolarHBondContact CE1-O 3.3Å
585	G	97.2	Very high	96.1	Very high	27 Å²	27	39.7 Å²	39.7	28%	0.278	22%	0.217	S	C	.	.			trans	-69.1	133.4	170.3	0	0	0	0	0	110.6	K579	K579-G585 PolarHBondContact N-O 3.15Å
586	I	98.4	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	171.2	179.8	54.6	70.4	0	0	0	112.3	N505 L530 F550 M554 V576 L577 L578 K579	N505-I586 HydrophobicContact CB-CD1 4.09Å; N505-I586 WeakPolarHBondContact CB-O 3.47Å; N505-I586 PolarHBondContact OD1-O 3.39Å; L530-I586 HydrophobicContact CD2-CG2 4.18Å; F550-I586 HydrophobicContact CD1-CG2 3.78Å; F550-I586 HydrophobicContact CE1-CG2 3.79Å; M554-I586 HydrophobicContact CG-CD1 4.18Å; V576-I586 HydrophobicContact CG1-CB 3.75Å; V576-I586 HydrophobicContact CG1-CD1 4.06Å; V576-I586 HydrophobicContact CG1-CG1 3.85Å; V576-I586 HydrophobicContact CG1-CG2 4.02Å; L577-I586 CarbonylContact O-C 3.56Å; L577-I586 WeakPolarHBondContact O-CA 3.5Å; L577-I586 WeakPolarHBondContact O-CB 3.45Å; L578-I586 HydrophobicContact CD2-CG2 3.84Å; K579-I586 WeakPolarHBondContact CE-O 3.45Å
587	K	98.6	Very high	95.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.7	154.9	-69.6	-170.6	157.6	-153.5	0	110.9	N505 I506 H508 E524 L526 V576 L577 K579	N505-K587 HydrophobicContact CB-CG 4.4Å; N505-K587 CarbonylContact O-C 3.59Å; N505-K587 WeakPolarHBondContact O-CA 3.2Å; N505-K587 WeakPolarHBondContact O-CB 3.47Å; I506-K587 VanDerWaalsContact O-CD 3.32Å; I506-K587 WeakPolarHBondContact O-CD 3.48Å; I506-K587 VanDerWaalsContact O-CE 3.28Å; I506-K587 WeakPolarHBondContact O-CE 3.38Å; I506-K587 PolarHBondContact O-NZ 3.09Å; H508-K587 PolarHBondContact CD2-NZ 3.41Å; H508-K587 PolarHBondContact CE1-NZ 3.46Å; H508-K587 PolarHBondContact ND1-NZ 3.16Å; H508-K587 PolarHBondContact NE2-NZ 3.29Å; E524-K587 VanDerWaalsContact OE1-CD 3.25Å; E524-K587 WeakPolarHBondContact OE1-CD 3.48Å; E524-K587 WeakPolarHBondContact OE1-CE 3.44Å; E524-K587 IonicContact OE1-NZ 2.75Å; E524-K587 PolarHBondContact OE1-NZ 3.01Å; E524-K587 IonicContact OE2-NZ 2.71Å; E524-K587 PolarHBondContact OE2-NZ 3.23Å; L526-K587 HydrophobicContact CD1-CB 3.82Å; L526-K587 HydrophobicContact CD1-CD 4.44Å; L526-K587 HydrophobicContact CD1-CG 4.48Å; L526-K587 HydrophobicContact CD2-CD 4.32Å; V576-K587 WeakPolarHBondContact CA-O 3.48Å; L577-K587 PolarHBondContact N-O 3.23Å; L577-K587 PolarHBondContact O-N 2.95Å; K579-K587 HydrophobicContact CD-CG 4.31Å; K579-K587 HydrophobicContact CG-CG 4.04Å
588	V	98.7	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.2	170.9	-175.5	0	0	0	0	109.3	N505 I507 C557 H568 L571 V576 F591	N505-V588 PolarHBondContact O-N 3.23Å; I507-V588 WeakPolarHBondContact CB-O 3.46Å; I507-V588 PolarHBondContact N-O 2.72Å; I507-V588 VanDerWaalsContact N-O 3.1Å; C557-V588 HydrophobicContact CB-CG2 3.86Å; H568-V588 WeakPolarHBondContact NE2-CG1 3.46Å; L571-V588 HydrophobicContact CD1-CG1 3.8Å; L571-V588 HydrophobicContact CD1-CG2 4.44Å; V576-V588 HydrophobicContact CG2-CG2 4.47Å; V588-F591 HydrophobicContact CG1-CE2 4.42Å; V588-F591 HydrophobicContact CG1-CZ 4.49Å
589	I	98.2	Very high	94.9	Very high	37 Å²	37	48.9 Å²	48.9	19%	0.19	26%	0.262	C	S	.	.			trans	-130.8	171	-175.3	76	156.6	0	0	0	112.5	I507 L526 H568 N575 L577	I507-I589 HydrophobicContact CB-CG2 4.12Å; I507-I589 HydrophobicContact CD1-CG2 4.14Å; I507-I589 HydrophobicContact CG1-CG2 4.34Å; L526-I589 HydrophobicContact CD1-CG2 4.13Å; H568-I589 PolarHBondContact NE2-O 3.01Å; N575-I589 HydrophobicContact CB-CG1 4.15Å; N575-I589 PolarHBondContact O-N 3.19Å; L577-I589 HydrophobicContact CB-CG2 4.47Å; L577-I589 HydrophobicContact CD1-CD1 3.46Å; L577-I589 VanDerWaalsContact CD1-CD1 3.46Å; L577-I589 HydrophobicContact CD1-CG1 3.74Å; L577-I589 HydrophobicContact CD1-CG2 4.03Å; L577-I589 HydrophobicContact CD2-CD1 4.13Å; L577-I589 HydrophobicContact CD2-CG2 4.34Å; L577-I589 HydrophobicContact CG-CD1 4.46Å
590	D	95.6	Very high	94.5	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.107	26%	0.26	C	S	.	.			trans	66.7	65.8	170	-166.3	34.1	0	0	0	114.8	K473 G592	K473-D590 IonicContact NZ-OD1 3.76Å; K473-D590 PolarHBondContact NZ-OD1 3.38Å; D590-G592 PolarHBondContact O-N 2.93Å
591	F	96.9	Very high	94	Very high	2 Å²	2	49 Å²	49	1%	0.009	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-79.6	7.6	178.8	-74.8	-104.5	0	0	0	113.1	E488 I491 L492 L495 I506 I507 L561 H568 V588 S593 S594	E488-F591 HydrophobicContact CG-CB 4.06Å; E488-F591 PolarHBondContact OE1-N 3.2Å; I491-F591 HydrophobicContact CG2-CD1 3.89Å; L492-F591 HydrophobicContact CD2-CB 4.39Å; L492-F591 HydrophobicContact CD2-CD2 3.72Å; L492-F591 HydrophobicContact CD2-CE2 4.14Å; L492-F591 HydrophobicContact CD2-CG 4.02Å; L492-F591 HydrophobicContact CG-CB 4.39Å; L495-F591 HydrophobicContact CD1-CD1 4.29Å; L495-F591 HydrophobicContact CD1-CE1 3.85Å; L495-F591 HydrophobicContact CD1-CZ 4.4Å; I506-F591 HydrophobicContact CG2-CE2 3.95Å; I506-F591 HydrophobicContact CG2-CZ 3.89Å; I507-F591 HydrophobicContact CG2-CD2 4.32Å; I507-F591 HydrophobicContact CG2-CE2 4.34Å; L561-F591 HydrophobicContact CD1-CE1 4.03Å; L561-F591 HydrophobicContact CD2-CE1 3.86Å; L561-F591 HydrophobicContact CD2-CZ 4.42Å; H568-F591 AromaticContact CD2-CD1 3.95Å; H568-F591 AromaticContact CD2-CE1 3.71Å; H568-F591 AromaticContact CD2-CZ 3.82Å; V588-F591 HydrophobicContact CG1-CE2 4.42Å; V588-F591 HydrophobicContact CG1-CZ 4.49Å; F591-S593 PolarHBondContact O-N 3.1Å; F591-S593 VanDerWaalsContact O-N 3.12Å; F591-S594 WeakPolarHBondContact CA-OG 3.46Å; F591-S594 WeakPolarHBondContact CD1-OG 3.23Å; F591-S594 VanDerWaalsContact O-CB 3.25Å; F591-S594 WeakPolarHBondContact O-CB 3.44Å; F591-S594 PolarHBondContact O-N 2.89Å; F591-S594 PolarHBondContact O-OG 2.75Å
592	G	93.3	Very high	93.9	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-66.6	-8.4	179.1	0	0	0	0	0	115.8	Q484 E488 D590	Q484-G592 WeakPolarHBondContact CB-O 3.42Å; Q484-G592 PolarHBondContact NE2-O 3.47Å; E488-G592 PolarHBondContact OE1-N 3.11Å; D590-G592 PolarHBondContact O-N 2.93Å
593	S	94.1	Very high	94	Very high	42 Å²	42	48.7 Å²	48.7	29%	0.294	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-103.9	-7.7	169	-62.9	0	0	0	0	113.6	C569 F591	C569-S593 VanDerWaalsContact CB-O 3.27Å; C569-S593 WeakPolarHBondContact CB-O 3.28Å; F591-S593 PolarHBondContact O-N 3.1Å; F591-S593 VanDerWaalsContact O-N 3.12Å
594	S	96.4	Very high	94	Very high	11 Å²	11	46 Å²	46	8%	0.077	24%	0.244	C	C	.	.			trans	-73.6	156.5	-171.7	-54.8	0	0	0	0	112.7	I567 H568 F591	I567-S594 WeakPolarHBondContact O-CA 3.29Å; I567-S594 WeakPolarHBondContact O-CB 3.22Å; H568-S594 WeakPolarHBondContact CA-OG 3.33Å; H568-S594 WeakPolarHBondContact O-CA 3.47Å; H568-S594 PolarHBondContact O-OG 2.66Å; F591-S594 WeakPolarHBondContact CA-OG 3.46Å; F591-S594 WeakPolarHBondContact CD1-OG 3.23Å; F591-S594 VanDerWaalsContact O-CB 3.25Å; F591-S594 WeakPolarHBondContact O-CB 3.44Å; F591-S594 PolarHBondContact O-N 2.89Å; F591-S594 PolarHBondContact O-OG 2.75Å
595	C	95.1	Very high	94	Very high	16 Å²	16	44.9 Å²	44.9	11%	0.108	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158	175.2	57.9	0	0	0	0	111.4	I567	I567-C595 PolarHBondContact N-O 2.96Å; I567-C595 PolarHBondContact O-N 3.44Å; I567-C595 VanDerWaalsContact O-N 3.08Å
596	F	95.1	Very high	94.1	Very high	30 Å²	30	44.1 Å²	44.1	13%	0.132	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	147.6	164.6	-63.6	-87.1	0	0	0	110.1	E487 I491 R565 L566 D598 Q599	E487-F596 WeakPolarHBondContact OE1-CE2 3.38Å; I491-F596 HydrophobicContact CG1-CE2 4.02Å; I491-F596 HydrophobicContact CG1-CZ 4.38Å; R565-F596 CarbonylContact O-C 3.51Å; R565-F596 WeakPolarHBondContact O-CA 3.19Å; L566-F596 HydrophobicContact CD1-CE1 4.28Å; L566-F596 HydrophobicContact CD2-CD1 3.56Å; L566-F596 HydrophobicContact CD2-CD2 4.08Å; L566-F596 HydrophobicContact CD2-CE1 3.6Å; L566-F596 HydrophobicContact CD2-CE2 4.09Å; L566-F596 HydrophobicContact CD2-CG 3.82Å; L566-F596 HydrophobicContact CD2-CZ 3.86Å; L566-F596 HydrophobicContact CG-CD1 3.9Å; L566-F596 HydrophobicContact CG-CE1 3.83Å; L566-F596 HydrophobicContact CG-CZ 4.47Å; F596-D598 WeakPolarHBondContact CB-OD1 3.25Å; F596-D598 PolarHBondContact O-N 2.76Å; F596-D598 VanDerWaalsContact O-N 3.14Å; F596-Q599 HydrophobicContact CB-CB 4.35Å; F596-Q599 CarbonylContact O-C 3.36Å; F596-Q599 PolarHBondContact O-N 3.42Å
597	D	91.5	Very high	94	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-177.8	168.6	56.9	0	0	0	113.6	R565 I567 R600	R565-D597 HydrophobicContact CB-CB 4.28Å; R565-D597 IonicContact CZ-OD2 3.05Å; R565-D597 IonicContact NE-OD2 2.68Å; R565-D597 IonicContact NH2-OD2 3.6Å; R565-D597 PolarHBondContact NH2-OD2 3.11Å; R565-D597 WeakPolarHBondContact O-CB 3.01Å; R565-D597 PolarHBondContact O-N 3.21Å; I567-D597 HydrophobicContact CD1-CB 4.39Å; D597-R600 PolarHBondContact O-NH1 3.43Å; D597-R600 VanDerWaalsContact O-NH1 3.12Å; D597-R600 PolarHBondContact O-NH2 2.78Å; D597-R600 IonicContact OD1-CZ 3.11Å; D597-R600 IonicContact OD1-NH1 2.68Å; D597-R600 PolarHBondContact OD1-NH1 3.02Å; D597-R600 IonicContact OD1-NH2 2.72Å
598	D	91.3	Very high	94	Very high	112 Å²	112	48.3 Å²	48.3	60%	0.599	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-29.2	172.1	61.2	-13.3	0	0	0	113.3	F596 R600	F596-D598 WeakPolarHBondContact CB-OD1 3.25Å; F596-D598 PolarHBondContact O-N 2.76Å; F596-D598 VanDerWaalsContact O-N 3.14Å; D598-R600 PolarHBondContact O-N 3.34Å
599	Q	90.9	Very high	94	Very high	77 Å²	77	51.3 Å²	51.3	36%	0.36	26%	0.258	S	S	.	.			trans	-100	38.5	-170.7	-71.4	155.5	83.6	0	0	113.7	F596 I601	F596-Q599 HydrophobicContact CB-CB 4.35Å; F596-Q599 CarbonylContact O-C 3.36Å; F596-Q599 PolarHBondContact O-N 3.42Å; Q599-I601 PolarHBondContact O-N 3.37Å
600	R	88.1	Confident	94.1	Very high	72 Å²	72	50 Å²	50	27%	0.272	25%	0.25	S	S	.	.			trans	-68.7	114.1	177.1	-69.5	178.3	-70.3	-99.2	-33.9	112.5	I567 D597 D598 Y621	I567-R600 HydrophobicContact CD1-CG 4.39Å; D597-R600 PolarHBondContact O-NH1 3.43Å; D597-R600 VanDerWaalsContact O-NH1 3.12Å; D597-R600 PolarHBondContact O-NH2 2.78Å; D597-R600 IonicContact OD1-CZ 3.11Å; D597-R600 IonicContact OD1-NH1 2.68Å; D597-R600 PolarHBondContact OD1-NH1 3.02Å; D597-R600 IonicContact OD1-NH2 2.72Å; D598-R600 PolarHBondContact O-N 3.34Å; R600-Y621 HydrophobicContact CB-CE1 4.37Å; R600-Y621 WeakPolarHBondContact CB-OH 3.46Å; R600-Y621 VanDerWaalsContact CD-O 3.28Å; R600-Y621 WeakPolarHBondContact CD-O 3.4Å; R600-Y621 HydrophobicContact CG-CE1 4.29Å; R600-Y621 HydrophobicContact CG-CE2 3.72Å; R600-Y621 WeakPolarHBondContact CG-OH 3.35Å; R600-Y621 PolarHBondContact NH1-O 3.45Å
601	I	84.1	Confident	94.2	Very high	131 Å²	131	49.3 Å²	49.3	67%	0.672	25%	0.246	S	C	*	.			trans	-99.5	-37	-179.3	-62.8	172.8	0	0	0	113.5	Q599	Q599-I601 PolarHBondContact O-N 3.37Å
602	Y	89.1	Confident	94.3	Very high	71 Å²	71	49.2 Å²	49.2	28%	0.278	25%	0.246	S	C	.	.			trans	-111.9	135.3	-165.8	-59	-71.2	0	0	0	112.6	Y621	Y602-Y621 WeakPolarHBondContact O-CE1 3.24Å; Y602-Y621 PolarHBondContact O-OH 2.88Å
603	T	92.1	Very high	94.6	Very high	124 Å²	124	48.7 Å²	48.7	76%	0.761	24%	0.24	S	C	*	.	S	Bend	trans	-89.5	-22.9	176.3	50.6	0	0	0	0	113.9
604	Y	94.3	Very high	94.8	Very high	119 Å²	119	46.9 Å²	46.9	47%	0.467	23%	0.227	S	C	.	.	S	Bend	trans	-109	96.5	176.9	-172.4	-91.9	0	0	0	109.3	R611	Y604-R611 PolarHBondContact OH-NH1 3.21Å; Y604-R611 PolarHBondContact OH-NH2 2.94Å
605	I	96.1	Very high	94.8	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.092	23%	0.226	C	C	.	.			trans	-130.7	176.3	-176.1	59.3	169.1	0	0	0	110.9	C569 R611 V615 Y621 I625	C569-I605 HydrophobicContact CB-CD1 4.21Å; I605-R611 PolarHBondContact O-NE 3.35Å; I605-R611 PolarHBondContact O-NH2 3.33Å; I605-V615 HydrophobicContact CD1-CG2 4.2Å; I605-V615 HydrophobicContact CG1-CG1 3.72Å; I605-V615 HydrophobicContact CG1-CG2 4.03Å; I605-Y621 HydrophobicContact CD1-CD1 4.27Å; I605-Y621 HydrophobicContact CD1-CD2 3.78Å; I605-Y621 HydrophobicContact CD1-CE1 3.96Å; I605-Y621 HydrophobicContact CD1-CE2 3.44Å; I605-Y621 VanDerWaalsContact CD1-CE2 3.44Å; I605-Y621 HydrophobicContact CD1-CG 4.19Å; I605-I625 HydrophobicContact CD1-CD1 3.44Å; I605-I625 VanDerWaalsContact CD1-CD1 3.44Å
606	Q	98.1	Very high	95	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.047	22%	0.221	C	C	.	.	S	Bend	trans	60.3	141.4	-174.9	-56.7	174	-68.6	0	0	115.1	C569 Y610 R611 I625 S629	C569-Q606 WeakPolarHBondContact O-CA 3.49Å; C569-Q606 WeakPolarHBondContact O-CG 3.48Å; C569-Q606 PolarHBondContact O-N 2.98Å; Q606-Y610 PolarHBondContact NE2-O 3.25Å; Q606-R611 HydrophobicContact CB-CB 3.97Å; Q606-R611 HydrophobicContact CB-CG 4.19Å; Q606-R611 PolarHBondContact O-NE 3.31Å; Q606-R611 PolarHBondContact O-NH2 3.01Å; Q606-I625 HydrophobicContact CG-CD1 4.14Å; Q606-I625 PolarHBondContact NE2-O 2.89Å; Q606-S629 PolarHBondContact NE2-OG 2.81Å
607	S	97.7	Very high	95.1	Very high	32 Å²	32	44.9 Å²	44.9	22%	0.224	22%	0.216	C	C	.	.			trans	-65.7	132.8	168.1	-65.8	0	0	0	0	110.3	D570 K572 F609 Y610 R611	D570-S607 VanDerWaalsContact OD1-CB 3.22Å; D570-S607 WeakPolarHBondContact OD1-CB 3.49Å; D570-S607 PolarHBondContact OD1-N 3.41Å; D570-S607 PolarHBondContact OD1-OG 3.08Å; D570-S607 PolarHBondContact OD2-OG 2.91Å; K572-S607 VanDerWaalsContact CD-OG 3.27Å; K572-S607 WeakPolarHBondContact CD-OG 3.37Å; K572-S607 PolarHBondContact NZ-OG 3.35Å; S607-F609 PolarHBondContact O-N 3.27Å; S607-F609 VanDerWaalsContact O-N 3.11Å; S607-Y610 PolarHBondContact O-N 2.93Å; S607-R611 PolarHBondContact O-N 3.23Å
608	R	98.4	Very high	95.4	Very high	60 Å²	60	44.9 Å²	44.9	23%	0.226	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-51.4	-44.9	-155.9	-165.7	-170.1	-61.1	114.4	2.8	115.4	Y610 R611 G646 E647 Q652	R608-Y610 PolarHBondContact O-N 2.82Å; R608-R611 WeakPolarHBondContact O-CB 3.28Å; R608-R611 PolarHBondContact O-N 3.01Å; R608-G646 VanDerWaalsContact CD-O 3.3Å; R608-G646 WeakPolarHBondContact CD-O 3.34Å; R608-G646 PolarHBondContact NH1-O 3.45Å; R608-E647 PolarHBondContact NE-O 3.35Å; R608-E647 PolarHBondContact NH1-O 3.43Å; R608-E647 VanDerWaalsContact NH1-O 3.14Å; R608-Q652 HydrophobicContact CG-CB 4.25Å; R608-Q652 HydrophobicContact CG-CG 4.2Å; R608-Q652 PolarHBondContact O-NE2 3.36Å; R608-Q652 PolarHBondContact O-OE1 3.44Å
609	F	98.8	Very high	95.5	Very high	64 Å²	64	40.7 Å²	40.7	28%	0.281	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-65.2	-22.8	-176.2	-54.3	-26.7	0	0	0	113.7	S607 P642 P645 G646 Q652	S607-F609 PolarHBondContact O-N 3.27Å; S607-F609 VanDerWaalsContact O-N 3.11Å; F609-P642 HydrophobicContact CB-CB 4.35Å; F609-P642 HydrophobicContact CD2-CB 3.87Å; F609-P642 HydrophobicContact CD2-CG 3.83Å; F609-P642 HydrophobicContact CE2-CB 4.44Å; F609-P642 HydrophobicContact CE2-CG 4.04Å; F609-P642 HydrophobicContact CG-CB 4.23Å; F609-P645 HydrophobicContact CE1-CB 4.4Å; F609-G646 WeakPolarHBondContact CE1-O 3.39Å; F609-Q652 PolarHBondContact O-NE2 3.46Å
610	Y	98.9	Very high	95.7	Very high	8 Å²	8	44.5 Å²	44.5	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-109.6	9.1	-176.6	-35.8	-76.6	0	0	0	111.8	K572 P573 Q606 S607 R608 S629 C632 I633 E636	K572-Y610 HydrophobicContact CB-CD2 3.52Å; K572-Y610 HydrophobicContact CB-CE2 3.49Å; K572-Y610 VanDerWaalsContact CB-CE2 3.49Å; K572-Y610 HydrophobicContact CB-CG 4.24Å; P573-Y610 WeakPolarHBondContact CD-OH 3.41Å; P573-Y610 HydrophobicContact CG-CE1 4.02Å; Q606-Y610 PolarHBondContact NE2-O 3.25Å; S607-Y610 PolarHBondContact O-N 2.93Å; R608-Y610 PolarHBondContact O-N 2.82Å; Y610-S629 PolarHBondContact O-OG 2.68Å; Y610-C632 HydrophobicContact CD1-CB 3.8Å; Y610-I633 HydrophobicContact CD1-CG1 3.97Å; Y610-I633 HydrophobicContact CE1-CG1 4.28Å; Y610-E636 WeakPolarHBondContact CE1-OE2 3.44Å; Y610-E636 PolarHBondContact OH-OE2 3.17Å
611	R	98.8	Very high	96.1	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.023	21%	0.205	C	C	.	.			trans	-79.4	132.6	-176.9	-178	-179.8	-65.9	155.6	1	111.7	Y604 I605 Q606 S607 R608 V615 I616 W628	Y604-R611 PolarHBondContact OH-NH1 3.21Å; Y604-R611 PolarHBondContact OH-NH2 2.94Å; I605-R611 PolarHBondContact O-NE 3.35Å; I605-R611 PolarHBondContact O-NH2 3.33Å; Q606-R611 HydrophobicContact CB-CB 3.97Å; Q606-R611 HydrophobicContact CB-CG 4.19Å; Q606-R611 PolarHBondContact O-NE 3.31Å; Q606-R611 PolarHBondContact O-NH2 3.01Å; S607-R611 PolarHBondContact O-N 3.23Å; R608-R611 WeakPolarHBondContact O-CB 3.28Å; R608-R611 PolarHBondContact O-N 3.01Å; R611-V615 HydrophobicContact CG-CB 3.94Å; R611-V615 HydrophobicContact CG-CG1 4.02Å; R611-I616 HydrophobicContact CG-CD1 4.5Å; R611-I616 HydrophobicContact CG-CG1 4.06Å; R611-W628 PolarHBondContact O-NE1 2.94Å
612	A	98.8	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.			trans	-76.3	149.8	-178.9	0	0	0	0	0	112.7	E614 V615 I625 W628	A612-E614 VanDerWaalsContact C-N 3.3Å; A612-E614 VanDerWaalsContact CB-CD 3.5Å; A612-E614 HydrophobicContact CB-CG 4.08Å; A612-E614 WeakPolarHBondContact CB-OE2 3.25Å; A612-E614 PolarHBondContact O-N 3.24Å; A612-V615 PolarHBondContact O-N 3.36Å; A612-V615 VanDerWaalsContact O-N 3.15Å; A612-I625 HydrophobicContact CB-CB 3.85Å; A612-I625 HydrophobicContact CB-CG2 3.79Å; A612-W628 HydrophobicContact CB-CB 3.86Å; A612-W628 HydrophobicContact CB-CD2 4.28Å; A612-W628 HydrophobicContact CB-CG 3.75Å
613	P	98.4	Very high	97.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-34.3	-175.2	23.2	-33.1	0	0	0	113.1	V615 I616 L617 W628 W740	P613-V615 VanDerWaalsContact C-N 3.27Å; P613-V615 PolarHBondContact O-N 2.97Å; P613-I616 PolarHBondContact O-N 3.12Å; P613-I616 VanDerWaalsContact O-N 3.12Å; P613-L617 HydrophobicContact CB-CD1 4.48Å; P613-L617 WeakPolarHBondContact O-CB 3.35Å; P613-L617 WeakPolarHBondContact O-CG 3.32Å; P613-L617 PolarHBondContact O-N 3.23Å; P613-W628 VanDerWaalsContact CD-CE3 3.46Å; P613-W628 HydrophobicContact CG-CE3 4.11Å; P613-W628 HydrophobicContact CG-CH2 4Å; P613-W628 HydrophobicContact CG-CZ3 3.76Å; P613-W740 HydrophobicContact CB-CE3 3.61Å; P613-W740 HydrophobicContact CB-CZ3 3.43Å; P613-W740 VanDerWaalsContact CB-CZ3 3.43Å; P613-W740 HydrophobicContact CG-CE3 3.82Å; P613-W740 HydrophobicContact CG-CZ3 4.14Å
614	E	98.1	Very high	97.5	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-55.1	-38.5	174.7	51.9	-96.4	-134.3	0	0	113.5	A612 G618 T619 I625 R745	A612-E614 VanDerWaalsContact C-N 3.3Å; A612-E614 VanDerWaalsContact CB-CD 3.5Å; A612-E614 HydrophobicContact CB-CG 4.08Å; A612-E614 WeakPolarHBondContact CB-OE2 3.25Å; A612-E614 PolarHBondContact O-N 3.24Å; E614-G618 WeakPolarHBondContact O-CA 3.01Å; E614-G618 PolarHBondContact O-N 3.01Å; E614-T619 VanDerWaalsContact CA-OG1 3.31Å; E614-T619 WeakPolarHBondContact CA-OG1 3.38Å; E614-T619 WeakPolarHBondContact CB-OG1 3.22Å; E614-T619 PolarHBondContact O-N 2.85Å; E614-T619 VanDerWaalsContact O-N 3.09Å; E614-T619 PolarHBondContact O-OG1 3.43Å; E614-I625 HydrophobicContact CG-CG2 3.8Å; E614-I625 WeakPolarHBondContact OE1-CG2 3.46Å; E614-R745 IonicContact OE1-CZ 3.56Å; E614-R745 IonicContact OE1-NH1 2.64Å; E614-R745 PolarHBondContact OE1-NH1 3Å; E614-R745 IonicContact OE1-NH2 3.85Å; E614-R745 PolarHBondContact OE1-NH2 2.93Å; E614-R745 IonicContact OE2-CZ 2.7Å; E614-R745 IonicContact OE2-NH1 3.91Å; E614-R745 PolarHBondContact OE2-NH1 3.46Å; E614-R745 IonicContact OE2-NH2 2.68Å; E614-R745 PolarHBondContact OE2-NH2 3.25Å
615	V	98.3	Very high	97.7	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.055	13%	0.127	C	C	.	.	H	α-helix	trans	-70.9	-37	179.4	-179.3	0	0	0	0	110.5	I605 R611 A612 P613 Y621 I625	I605-V615 HydrophobicContact CD1-CG2 4.2Å; I605-V615 HydrophobicContact CG1-CG1 3.72Å; I605-V615 HydrophobicContact CG1-CG2 4.03Å; R611-V615 HydrophobicContact CG-CB 3.94Å; R611-V615 HydrophobicContact CG-CG1 4.02Å; A612-V615 PolarHBondContact O-N 3.36Å; A612-V615 VanDerWaalsContact O-N 3.15Å; P613-V615 VanDerWaalsContact C-N 3.27Å; P613-V615 PolarHBondContact O-N 2.97Å; V615-Y621 HydrophobicContact CG2-CG 4.42Å; V615-I625 HydrophobicContact CG2-CG2 4.01Å
616	I	98.4	Very high	97.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-70.9	-48.9	177	-58.4	171.9	0	0	0	110.2	R611 P613 G618 E649 Q652 L653 I656 R673 F677	R611-I616 HydrophobicContact CG-CD1 4.5Å; R611-I616 HydrophobicContact CG-CG1 4.06Å; P613-I616 PolarHBondContact O-N 3.12Å; P613-I616 VanDerWaalsContact O-N 3.12Å; I616-G618 VanDerWaalsContact C-N 3.27Å; I616-G618 PolarHBondContact O-N 2.72Å; I616-E649 HydrophobicContact CG2-CB 4.26Å; I616-Q652 HydrophobicContact CD1-CB 4.18Å; I616-Q652 HydrophobicContact CD1-CG 3.81Å; I616-L653 HydrophobicContact CG2-CB 4.24Å; I616-L653 HydrophobicContact CG2-CD2 4.19Å; I616-I656 HydrophobicContact CD1-CD1 4.18Å; I616-R673 WeakPolarHBondContact O-CD 3.37Å; I616-R673 PolarHBondContact O-NH1 2.77Å; I616-F677 HydrophobicContact CG2-CE1 4Å; I616-F677 HydrophobicContact CG2-CE2 3.85Å; I616-F677 HydrophobicContact CG2-CZ 3.52Å; I616-F677 WeakPolarHBondContact O-CE2 3.19Å
617	L	97.8	Very high	97.8	Very high	5 Å²	5	24 Å²	24	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-72	-15.7	-178.7	-69.8	173.8	0	0	0	113.7	P613 L653 L668 A671 K672 R673 F677 W740	P613-L617 HydrophobicContact CB-CD1 4.48Å; P613-L617 WeakPolarHBondContact O-CB 3.35Å; P613-L617 WeakPolarHBondContact O-CG 3.32Å; P613-L617 PolarHBondContact O-N 3.23Å; L617-L653 HydrophobicContact CD2-CD2 3.87Å; L617-L653 HydrophobicContact CG-CD2 4.46Å; L617-L668 HydrophobicContact CD1-CD2 4.46Å; L617-L668 HydrophobicContact CD2-CD2 4.29Å; L617-A671 HydrophobicContact CB-CB 3.89Å; L617-A671 CarbonylContact O-C 3.6Å; L617-K672 PolarHBondContact O-N 3.41Å; L617-R673 WeakPolarHBondContact O-CA 3.19Å; L617-R673 VanDerWaalsContact O-CB 3.31Å; L617-R673 WeakPolarHBondContact O-CB 3.34Å; L617-R673 PolarHBondContact O-N 3.48Å; L617-F677 HydrophobicContact CD2-CD2 4.05Å; L617-W740 HydrophobicContact CD1-CZ3 4.39Å
618	G	96.2	Very high	97.9	Very high	18 Å²	18	22.5 Å²	22.5	19%	0.186	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	33.4	178.3	0	0	0	0	0	113.9	E614 I616 K672	E614-G618 WeakPolarHBondContact O-CA 3.01Å; E614-G618 PolarHBondContact O-N 3.01Å; I616-G618 VanDerWaalsContact C-N 3.27Å; I616-G618 PolarHBondContact O-N 2.72Å; G618-K672 WeakPolarHBondContact O-CB 3.39Å; G618-K672 WeakPolarHBondContact O-CG 2.93Å
619	T	94.5	Very high	97.9	Very high	25 Å²	25	19.6 Å²	19.6	15%	0.153	10%	0.101	C	C	.	.			trans	-78.7	-175.5	166.4	62.1	0	0	0	0	109.9	E614 Y621 T670 A671	E614-T619 VanDerWaalsContact CA-OG1 3.31Å; E614-T619 WeakPolarHBondContact CA-OG1 3.38Å; E614-T619 WeakPolarHBondContact CB-OG1 3.22Å; E614-T619 PolarHBondContact O-N 2.85Å; E614-T619 VanDerWaalsContact O-N 3.09Å; E614-T619 PolarHBondContact O-OG1 3.43Å; T619-Y621 PolarHBondContact O-N 3.42Å; T619-T670 WeakPolarHBondContact CG2-OG1 3.47Å; T619-A671 HydrophobicContact CG2-CB 3.65Å
620	K	93.9	Very high	97.9	Very high	156 Å²	156	16.6 Å²	16.6	68%	0.678	9%	0.087	S	C	*	.			trans	-77	114	171.2	-178.4	-171.6	173.8	-168.1	0	109.2
621	Y	96.6	Very high	97.9	Very high	18 Å²	18	16.2 Å²	16.2	7%	0.071	9%	0.086	C	C	.	.			trans	-85.9	162.3	173.3	76.9	-96.5	0	0	0	112.3	I567 R600 Y602 I605 V615 T619 I625	I567-Y621 HydrophobicContact CD1-CD2 4.17Å; I567-Y621 HydrophobicContact CD1-CE2 3.94Å; R600-Y621 HydrophobicContact CB-CE1 4.37Å; R600-Y621 WeakPolarHBondContact CB-OH 3.46Å; R600-Y621 VanDerWaalsContact CD-O 3.28Å; R600-Y621 WeakPolarHBondContact CD-O 3.4Å; R600-Y621 HydrophobicContact CG-CE1 4.29Å; R600-Y621 HydrophobicContact CG-CE2 3.72Å; R600-Y621 WeakPolarHBondContact CG-OH 3.35Å; R600-Y621 PolarHBondContact NH1-O 3.45Å; Y602-Y621 WeakPolarHBondContact O-CE1 3.24Å; Y602-Y621 PolarHBondContact O-OH 2.88Å; I605-Y621 HydrophobicContact CD1-CD1 4.27Å; I605-Y621 HydrophobicContact CD1-CD2 3.78Å; I605-Y621 HydrophobicContact CD1-CE1 3.96Å; I605-Y621 HydrophobicContact CD1-CE2 3.44Å; I605-Y621 VanDerWaalsContact CD1-CE2 3.44Å; I605-Y621 HydrophobicContact CD1-CG 4.19Å; V615-Y621 HydrophobicContact CG2-CG 4.42Å; T619-Y621 PolarHBondContact O-N 3.42Å; Y621-I625 HydrophobicContact CD2-CD1 3.92Å; Y621-I625 HydrophobicContact CD2-CG2 4.46Å; Y621-I625 HydrophobicContact CE2-CD1 4.33Å
622	G	97.6	Very high	97.9	Very high	9 Å²	9	16 Å²	16	9%	0.093	9%	0.085	C	C	.	.			trans	-156.6	-160.8	175.8	0	0	0	0	0	111.5	P624 I625	G622-P624 VanDerWaalsContact C-N 3.27Å; G622-P624 VanDerWaalsContact O-N 3.15Å; G622-I625 WeakPolarHBondContact O-CG1 3.46Å; G622-I625 WeakPolarHBondContact O-CG2 3.47Å; G622-I625 PolarHBondContact O-N 3.13Å
623	M	98.3	Very high	98	Very high	45 Å²	45	16 Å²	16	22%	0.222	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-32.4	176.3	-58.8	168.6	-71.9	0	0	115.6	Q562 I567 I625 D626	Q562-M623 HydrophobicContact CB-SD 4.26Å; Q562-M623 HydrophobicContact CG-CE 4.39Å; Q562-M623 HydrophobicContact CG-SD 3.87Å; I567-M623 HydrophobicContact CG1-CG 3.95Å; M623-I625 PolarHBondContact O-N 3.27Å; M623-D626 PolarHBondContact O-N 3.24Å
624	P	98.8	Very high	98	Very high	34 Å²	34	15.9 Å²	15.9	22%	0.221	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-14.5	177.5	-29	37.8	0	0	0	116.1	G622 D626 M627 W628 P742 R745	G622-P624 VanDerWaalsContact C-N 3.27Å; G622-P624 VanDerWaalsContact O-N 3.15Å; P624-D626 VanDerWaalsContact C-N 3.29Å; P624-D626 PolarHBondContact O-N 3.04Å; P624-M627 PolarHBondContact O-N 3.02Å; P624-W628 PolarHBondContact O-N 2.86Å; P624-P742 HydrophobicContact CB-CB 3.76Å; P624-P742 HydrophobicContact CG-CB 4.09Å; P624-P742 VanDerWaalsContact CG-O 3.24Å; P624-P742 WeakPolarHBondContact CG-O 3.42Å; P624-R745 WeakPolarHBondContact O-CD 3.1Å; P624-R745 PolarHBondContact O-NH1 3.09Å
625	I	98.8	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.9	-31.8	176	73.3	178.9	0	0	0	112.5	I567 I605 Q606 A612 E614 V615 Y621 G622 M623 W628 S629	I567-I625 HydrophobicContact CG2-CD1 3.61Å; I567-I625 HydrophobicContact CG2-CG1 3.69Å; I605-I625 HydrophobicContact CD1-CD1 3.44Å; I605-I625 VanDerWaalsContact CD1-CD1 3.44Å; Q606-I625 HydrophobicContact CG-CD1 4.14Å; Q606-I625 PolarHBondContact NE2-O 2.89Å; A612-I625 HydrophobicContact CB-CB 3.85Å; A612-I625 HydrophobicContact CB-CG2 3.79Å; E614-I625 HydrophobicContact CG-CG2 3.8Å; E614-I625 WeakPolarHBondContact OE1-CG2 3.46Å; V615-I625 HydrophobicContact CG2-CG2 4.01Å; Y621-I625 HydrophobicContact CD2-CD1 3.92Å; Y621-I625 HydrophobicContact CD2-CG2 4.46Å; Y621-I625 HydrophobicContact CE2-CD1 4.33Å; G622-I625 WeakPolarHBondContact O-CG1 3.46Å; G622-I625 WeakPolarHBondContact O-CG2 3.47Å; G622-I625 PolarHBondContact O-N 3.13Å; M623-I625 PolarHBondContact O-N 3.27Å; I625-W628 WeakPolarHBondContact O-CB 3.32Å; I625-W628 PolarHBondContact O-N 3.49Å; I625-S629 PolarHBondContact O-N 3.09Å; I625-S629 PolarHBondContact O-OG 3.31Å
626	D	98.9	Very high	98	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-78.9	-27.3	-177.8	-60.4	-46.1	0	0	0	111.2	L558 I567 H568 C569 M623 P624 S629 L630	L558-D626 HydrophobicContact CD2-CB 3.92Å; I567-D626 VanDerWaalsContact CG2-OD2 3.28Å; I567-D626 WeakPolarHBondContact CG2-OD2 3.43Å; H568-D626 PolarHBondContact N-OD2 3.38Å; C569-D626 PolarHBondContact N-OD1 2.8Å; M623-D626 PolarHBondContact O-N 3.24Å; P624-D626 VanDerWaalsContact C-N 3.29Å; P624-D626 PolarHBondContact O-N 3.04Å; D626-S629 PolarHBondContact O-N 2.86Å; D626-L630 WeakPolarHBondContact O-CB 3.49Å; D626-L630 PolarHBondContact O-N 3.31Å
627	M	98.9	Very high	98.1	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.02	8%	0.082	C	C	.	.	H	α-helix	trans	-69.3	-33.7	169.2	-75.4	-60.3	-67.5	0	0	112.2	L555 L558 P624 L630 G631 C737 M746 P748 A751	L555-M627 HydrophobicContact CD2-CE 3.99Å; L555-M627 HydrophobicContact CD2-SD 3.84Å; L558-M627 HydrophobicContact CD1-SD 3.94Å; P624-M627 PolarHBondContact O-N 3.02Å; M627-L630 HydrophobicContact CE-CD2 3.96Å; M627-L630 WeakPolarHBondContact O-CB 3.42Å; M627-L630 PolarHBondContact O-N 3.18Å; M627-L630 HydrophobicContact SD-CD2 3.81Å; M627-G631 PolarHBondContact O-N 2.88Å; M627-C737 WeakPolarHBondContact O-CB 3.49Å; M627-M746 WeakPolarHBondContact CE-O 3.33Å; M627-M746 WeakPolarHBondContact CG-O 3.48Å; M627-P748 HydrophobicContact CG-CG 4.17Å; M627-P748 HydrophobicContact SD-CB 4.34Å; M627-P748 HydrophobicContact SD-CG 3.77Å; M627-A751 HydrophobicContact CE-CB 3.7Å
628	W	98.9	Very high	98.1	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-48.3	168.2	177	-77.4	0	0	0	111.3	R611 A612 P613 P624 I625 L630 G631 C632 L644 I656 L660 C737 L738	R611-W628 PolarHBondContact O-NE1 2.94Å; A612-W628 HydrophobicContact CB-CB 3.86Å; A612-W628 HydrophobicContact CB-CD2 4.28Å; A612-W628 HydrophobicContact CB-CG 3.75Å; P613-W628 VanDerWaalsContact CD-CE3 3.46Å; P613-W628 HydrophobicContact CG-CE3 4.11Å; P613-W628 HydrophobicContact CG-CH2 4Å; P613-W628 HydrophobicContact CG-CZ3 3.76Å; P624-W628 PolarHBondContact O-N 2.86Å; I625-W628 WeakPolarHBondContact O-CB 3.32Å; I625-W628 PolarHBondContact O-N 3.49Å; W628-L630 VanDerWaalsContact C-N 3.3Å; W628-L630 PolarHBondContact O-N 3.36Å; W628-G631 PolarHBondContact O-N 3.31Å; W628-G631 VanDerWaalsContact O-N 3.08Å; W628-C632 PolarHBondContact O-N 3.47Å; W628-C632 VanDerWaalsContact O-N 3.11Å; W628-L644 HydrophobicContact CZ2-CD1 3.97Å; W628-I656 HydrophobicContact CH2-CD1 4.19Å; W628-I656 HydrophobicContact CH2-CG1 4.26Å; W628-I656 HydrophobicContact CH2-CG2 3.77Å; W628-I656 HydrophobicContact CZ2-CD1 3.67Å; W628-I656 HydrophobicContact CZ2-CG1 3.86Å; W628-I656 HydrophobicContact CZ2-CG2 4.24Å; W628-L660 HydrophobicContact CH2-CD1 3.68Å; W628-L660 HydrophobicContact CZ3-CD1 4.05Å; W628-C737 WeakPolarHBondContact CA-O 3.33Å; W628-L738 HydrophobicContact CD2-CD2 3.52Å; W628-L738 HydrophobicContact CE3-CB 4.24Å; W628-L738 HydrophobicContact CE3-CD2 3.76Å; W628-L738 HydrophobicContact CG-CD2 3.94Å; W628-L738 HydrophobicContact CH2-CB 4.43Å; W628-L738 HydrophobicContact CH2-CD2 4.24Å; W628-L738 HydrophobicContact CZ2-CD2 4.03Å; W628-L738 HydrophobicContact CZ3-CB 4.03Å; W628-L738 HydrophobicContact CZ3-CD2 4.12Å; W628-L738 WeakPolarHBondContact CZ3-O 3.39Å
629	S	98.9	Very high	98.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57	-43.1	175.2	-58.9	0	0	0	0	112.1	L571 Q606 Y610 I625 D626 G631 C632 I633	L571-S629 WeakPolarHBondContact O-CB 3.29Å; Q606-S629 PolarHBondContact NE2-OG 2.81Å; Y610-S629 PolarHBondContact O-OG 2.68Å; I625-S629 PolarHBondContact O-N 3.09Å; I625-S629 PolarHBondContact O-OG 3.31Å; D626-S629 PolarHBondContact O-N 2.86Å; S629-G631 VanDerWaalsContact C-N 3.34Å; S629-G631 PolarHBondContact O-N 3.2Å; S629-C632 PolarHBondContact O-N 3.46Å; S629-I633 WeakPolarHBondContact O-CD1 3.45Å; S629-I633 WeakPolarHBondContact O-CG1 3.28Å; S629-I633 PolarHBondContact O-N 3.01Å
630	L	98.9	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56	-46.1	173.8	178.4	69	0	0	0	111.7	M554 L555 L558 L571 D626 M627 W628 C632 I633 L634	M554-L630 HydrophobicContact CB-CD1 3.98Å; M554-L630 HydrophobicContact CE-CD1 3.56Å; M554-L630 HydrophobicContact SD-CD1 3.98Å; L555-L630 HydrophobicContact CD2-CD2 3.58Å; L555-L630 HydrophobicContact CG-CD2 3.92Å; L558-L630 HydrophobicContact CD1-CB 4.28Å; L558-L630 HydrophobicContact CD1-CD2 4.17Å; L571-L630 HydrophobicContact CD2-CB 4.43Å; D626-L630 WeakPolarHBondContact O-CB 3.49Å; D626-L630 PolarHBondContact O-N 3.31Å; M627-L630 HydrophobicContact CE-CD2 3.96Å; M627-L630 WeakPolarHBondContact O-CB 3.42Å; M627-L630 PolarHBondContact O-N 3.18Å; M627-L630 HydrophobicContact SD-CD2 3.81Å; W628-L630 VanDerWaalsContact C-N 3.3Å; W628-L630 PolarHBondContact O-N 3.36Å; L630-C632 PolarHBondContact O-N 2.87Å; L630-I633 PolarHBondContact O-N 2.94Å; L630-L634 HydrophobicContact CD1-CD1 4.03Å; L630-L634 HydrophobicContact CD1-CD2 4.38Å; L630-L634 HydrophobicContact CD1-CG 4.03Å; L630-L634 HydrophobicContact CG-CD1 3.97Å; L630-L634 HydrophobicContact CG-CG 4.31Å; L630-L634 VanDerWaalsContact O-CG 3.29Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 2.9Å
631	G	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56	-48.1	175.9	0	0	0	0	0	112.5	M627 W628 S629 L634 A635 L734	M627-G631 PolarHBondContact O-N 2.88Å; W628-G631 PolarHBondContact O-N 3.31Å; W628-G631 VanDerWaalsContact O-N 3.08Å; S629-G631 VanDerWaalsContact C-N 3.34Å; S629-G631 PolarHBondContact O-N 3.2Å; G631-L634 PolarHBondContact O-N 3.4Å; G631-A635 PolarHBondContact O-N 2.88Å; G631-L734 VanDerWaalsContact O-CD2 3.23Å; G631-L734 WeakPolarHBondContact O-CD2 3.33Å
632	C	98.9	Very high	98.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-61.7	-44.8	176.2	-61.7	0	0	0	0	112.6	Y610 W628 S629 L630 A635 E636	Y610-C632 HydrophobicContact CD1-CB 3.8Å; W628-C632 PolarHBondContact O-N 3.47Å; W628-C632 VanDerWaalsContact O-N 3.11Å; S629-C632 PolarHBondContact O-N 3.46Å; L630-C632 PolarHBondContact O-N 2.87Å; C632-A635 PolarHBondContact O-N 2.85Å; C632-E636 PolarHBondContact O-N 3.46Å; C632-E636 VanDerWaalsContact O-N 3.1Å
633	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-44.5	179.1	-68.8	161.3	0	0	0	111.3	M554 L571 P573 Y610 S629 L630 A635 E636 L637	M554-I633 HydrophobicContact CE-CG2 4.03Å; M554-I633 HydrophobicContact SD-CG2 4.19Å; L571-I633 HydrophobicContact CD2-CD1 3.95Å; L571-I633 HydrophobicContact CG-CD1 3.74Å; P573-I633 HydrophobicContact CG-CG1 4.16Å; P573-I633 HydrophobicContact CG-CG2 4.39Å; Y610-I633 HydrophobicContact CD1-CG1 3.97Å; Y610-I633 HydrophobicContact CE1-CG1 4.28Å; S629-I633 WeakPolarHBondContact O-CD1 3.45Å; S629-I633 WeakPolarHBondContact O-CG1 3.28Å; S629-I633 PolarHBondContact O-N 3.01Å; L630-I633 PolarHBondContact O-N 2.94Å; I633-A635 PolarHBondContact O-N 3.41Å; I633-E636 PolarHBondContact O-N 3.44Å; I633-L637 HydrophobicContact CG2-CD1 3.74Å; I633-L637 HydrophobicContact CG2-CG 4.23Å; I633-L637 WeakPolarHBondContact O-CB 3.44Å; I633-L637 VanDerWaalsContact O-CG 3.29Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.89Å
634	L	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.2	-36.2	-177.6	-66.8	177.4	0	0	0	112.5	V547 A551 M554 L630 G631 L637 L638 F730 F733 L734 W756	V547-L634 HydrophobicContact CG1-CB 4.18Å; V547-L634 HydrophobicContact CG1-CD2 3.87Å; A551-L634 HydrophobicContact CB-CD1 3.72Å; A551-L634 HydrophobicContact CB-CD2 3.61Å; A551-L634 HydrophobicContact CB-CG 4.33Å; M554-L634 HydrophobicContact CE-CD2 3.69Å; M554-L634 HydrophobicContact CE-CG 4.49Å; L630-L634 HydrophobicContact CD1-CD1 4.03Å; L630-L634 HydrophobicContact CD1-CD2 4.38Å; L630-L634 HydrophobicContact CD1-CG 4.03Å; L630-L634 HydrophobicContact CG-CD1 3.97Å; L630-L634 HydrophobicContact CG-CG 4.31Å; L630-L634 VanDerWaalsContact O-CG 3.29Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 2.9Å; G631-L634 PolarHBondContact O-N 3.4Å; L634-L637 HydrophobicContact CD2-CD1 4.18Å; L634-L638 WeakPolarHBondContact O-CB 3.31Å; L634-L638 PolarHBondContact O-N 2.87Å; L634-F730 HydrophobicContact CB-CE2 4.03Å; L634-F730 HydrophobicContact CB-CZ 4.05Å; L634-F733 HydrophobicContact CD1-CD1 4.2Å; L634-F733 HydrophobicContact CD1-CE1 3.55Å; L634-F733 HydrophobicContact CD1-CZ 4.4Å; L634-L734 HydrophobicContact CB-CD2 4.14Å; L634-W756 HydrophobicContact CD1-CH2 4.4Å; L634-W756 HydrophobicContact CD1-CZ3 4.21Å
635	A	98.9	Very high	98.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66	-37.5	173	0	0	0	0	0	112.3	G631 C632 I633 L638 T639 L643 L722 L734	G631-A635 PolarHBondContact O-N 2.88Å; C632-A635 PolarHBondContact O-N 2.85Å; I633-A635 PolarHBondContact O-N 3.41Å; A635-L638 PolarHBondContact O-N 3.36Å; A635-T639 WeakPolarHBondContact O-CB 3.47Å; A635-T639 WeakPolarHBondContact O-CG2 3.44Å; A635-T639 PolarHBondContact O-N 3.23Å; A635-T639 PolarHBondContact O-OG1 3.35Å; A635-L643 HydrophobicContact CB-CB 3.93Å; A635-L643 HydrophobicContact CB-CD1 4.15Å; A635-L643 HydrophobicContact CB-CD2 3.86Å; A635-L643 HydrophobicContact CB-CG 4.2Å; A635-L722 HydrophobicContact CB-CD2 3.85Å; A635-L734 HydrophobicContact CB-CD1 3.92Å
636	E	98.9	Very high	98.7	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-70.6	-40.8	175.2	176.8	161.8	-175.4	0	0	112.6	I534 Y610 C632 I633 L638 T639 G640 Y641 P642	I534-E636 HydrophobicContact CD1-CG 3.9Å; Y610-E636 WeakPolarHBondContact CE1-OE2 3.44Å; Y610-E636 PolarHBondContact OH-OE2 3.17Å; C632-E636 PolarHBondContact O-N 3.46Å; C632-E636 VanDerWaalsContact O-N 3.1Å; I633-E636 PolarHBondContact O-N 3.44Å; E636-L638 VanDerWaalsContact C-N 3.3Å; E636-L638 PolarHBondContact O-N 3.04Å; E636-T639 PolarHBondContact O-N 3.24Å; E636-G640 VanDerWaalsContact O-CA 3.23Å; E636-G640 WeakPolarHBondContact O-CA 3.42Å; E636-G640 PolarHBondContact O-N 3.45Å; E636-Y641 WeakPolarHBondContact CA-O 3.05Å; E636-P642 WeakPolarHBondContact OE1-CD 3.37Å; E636-P642 WeakPolarHBondContact OE1-CG 3.35Å; E636-P642 WeakPolarHBondContact OE2-CA 3.47Å; E636-P642 WeakPolarHBondContact OE2-CB 3.43Å; E636-P642 WeakPolarHBondContact OE2-CG 3.3Å
637	L	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.6	-39.1	172.5	-72.9	169	0	0	0	111.9	L530 I534 F542 V547 F550 M554 I633 L634	L530-L637 HydrophobicContact CB-CD2 4.15Å; L530-L637 HydrophobicContact CD1-CD1 4.09Å; L530-L637 HydrophobicContact CD1-CD2 4.09Å; I534-L637 HydrophobicContact CD1-CD2 4.08Å; I534-L637 HydrophobicContact CG1-CD2 4.19Å; F542-L637 WeakPolarHBondContact CB-O 3.49Å; F542-L637 HydrophobicContact CD2-CB 4.18Å; F542-L637 HydrophobicContact CD2-CD2 3.82Å; F542-L637 WeakPolarHBondContact CD2-O 3.07Å; F542-L637 HydrophobicContact CE2-CD2 3.7Å; F542-L637 PolarHBondContact N-O 3.45Å; V547-L637 HydrophobicContact CG1-CB 4.43Å; V547-L637 HydrophobicContact CG2-CB 4.15Å; F550-L637 HydrophobicContact CB-CD1 4.18Å; F550-L637 HydrophobicContact CD2-CD1 4.14Å; F550-L637 HydrophobicContact CD2-CD2 4.33Å; M554-L637 HydrophobicContact CE-CD1 4.28Å; I633-L637 HydrophobicContact CG2-CD1 3.74Å; I633-L637 HydrophobicContact CG2-CG 4.23Å; I633-L637 WeakPolarHBondContact O-CB 3.44Å; I633-L637 VanDerWaalsContact O-CG 3.29Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.89Å; L634-L637 HydrophobicContact CD2-CD1 4.18Å
638	L	98.8	Very high	98.6	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-68.4	-48.2	176.3	178.2	62.2	0	0	0	112.4	G541 F542 L544 V547 L634 A635 E636 M725 F730	G541-L638 WeakPolarHBondContact CA-O 3.37Å; F542-L638 PolarHBondContact N-O 3.36Å; F542-L638 WeakPolarHBondContact O-CD1 3.42Å; L544-L638 HydrophobicContact CD2-CD1 3.74Å; L544-L638 HydrophobicContact CD2-CD2 3.95Å; L544-L638 HydrophobicContact CD2-CG 4.45Å; L544-L638 HydrophobicContact CG-CD1 3.88Å; V547-L638 HydrophobicContact CG2-CB 4.18Å; V547-L638 HydrophobicContact CG2-CD1 4.47Å; L634-L638 WeakPolarHBondContact O-CB 3.31Å; L634-L638 PolarHBondContact O-N 2.87Å; A635-L638 PolarHBondContact O-N 3.36Å; E636-L638 VanDerWaalsContact C-N 3.3Å; E636-L638 PolarHBondContact O-N 3.04Å; L638-M725 HydrophobicContact CD1-CB 3.94Å; L638-M725 HydrophobicContact CD1-CE 4.45Å; L638-M725 HydrophobicContact CD2-CB 4.05Å; L638-M725 HydrophobicContact CG-CB 3.9Å; L638-M725 WeakPolarHBondContact O-CE 3.23Å; L638-F730 HydrophobicContact CB-CE1 4.27Å; L638-F730 HydrophobicContact CB-CZ 4.41Å; L638-F730 HydrophobicContact CD2-CD1 3.7Å; L638-F730 HydrophobicContact CD2-CE1 3.31Å; L638-F730 HydrophobicContact CD2-CZ 4.18Å; L638-F730 HydrophobicContact CG-CE1 4.41Å
639	T	98.7	Very high	98.5	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-94.4	-17.6	-168.5	61.4	0	0	0	0	114.7	A635 E636 Y641 L722 K723	A635-T639 WeakPolarHBondContact O-CB 3.47Å; A635-T639 WeakPolarHBondContact O-CG2 3.44Å; A635-T639 PolarHBondContact O-N 3.23Å; A635-T639 PolarHBondContact O-OG1 3.35Å; E636-T639 PolarHBondContact O-N 3.24Å; T639-Y641 WeakPolarHBondContact O-CD2 3.4Å; T639-Y641 PolarHBondContact OG1-N 3.06Å; T639-Y641 PolarHBondContact OG1-O 3.03Å; T639-Y641 VanDerWaalsContact OG1-O 3.1Å; T639-L722 HydrophobicContact CG2-CB 4.42Å; T639-L722 HydrophobicContact CG2-CD2 4.3Å; T639-K723 HydrophobicContact CG2-CG 4.39Å; T639-K723 WeakPolarHBondContact O-CE 3.28Å; T639-K723 PolarHBondContact O-NZ 3.03Å
640	G	98.6	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	82	3.4	-171.1	0	0	0	0	0	115.6	F539 E636	F539-G640 WeakPolarHBondContact CD1-O 3.27Å; E636-G640 VanDerWaalsContact O-CA 3.23Å; E636-G640 WeakPolarHBondContact O-CA 3.42Å; E636-G640 PolarHBondContact O-N 3.45Å
641	Y	98.5	Very high	98.4	Very high	122 Å²	122	18.9 Å²	18.9	48%	0.478	10%	0.095	S	C	.	.	S	Bend	trans	-142.1	146.5	-174.7	-66.1	-103.7	0	0	0	111.6	F539 E636 T639 L643	F539-Y641 HydrophobicContact CB-CD2 4.47Å; F539-Y641 HydrophobicContact CB-CE2 3.76Å; F539-Y641 VanDerWaalsContact O-CE2 3.28Å; F539-Y641 WeakPolarHBondContact O-CE2 3.46Å; E636-Y641 WeakPolarHBondContact CA-O 3.05Å; T639-Y641 WeakPolarHBondContact O-CD2 3.4Å; T639-Y641 PolarHBondContact OG1-N 3.06Å; T639-Y641 PolarHBondContact OG1-O 3.03Å; T639-Y641 VanDerWaalsContact OG1-O 3.1Å; Y641-L643 PolarHBondContact O-N 3.23Å
642	P	98.7	Very high	98.4	Very high	33 Å²	33	18.9 Å²	18.9	21%	0.214	10%	0.095	C	C	.	.			trans	-58	131.2	178	-21.1	28	0	0	0	112.5	F609 E636 L644 P645	F609-P642 HydrophobicContact CB-CB 4.35Å; F609-P642 HydrophobicContact CD2-CB 3.87Å; F609-P642 HydrophobicContact CD2-CG 3.83Å; F609-P642 HydrophobicContact CE2-CB 4.44Å; F609-P642 HydrophobicContact CE2-CG 4.04Å; F609-P642 HydrophobicContact CG-CB 4.23Å; E636-P642 WeakPolarHBondContact OE1-CD 3.37Å; E636-P642 WeakPolarHBondContact OE1-CG 3.35Å; E636-P642 WeakPolarHBondContact OE2-CA 3.47Å; E636-P642 WeakPolarHBondContact OE2-CB 3.43Å; E636-P642 WeakPolarHBondContact OE2-CG 3.3Å; P642-L644 VanDerWaalsContact C-N 3.3Å; P642-L644 PolarHBondContact O-N 2.8Å; P642-P645 HydrophobicContact CB-CB 4.28Å
643	L	98.7	Very high	98.4	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	-60.6	-39.3	-179.4	-178.1	65.6	0	0	0	112.4	A635 Y641 L659 R716 A721 L722 L738	A635-L643 HydrophobicContact CB-CB 3.93Å; A635-L643 HydrophobicContact CB-CD1 4.15Å; A635-L643 HydrophobicContact CB-CD2 3.86Å; A635-L643 HydrophobicContact CB-CG 4.2Å; Y641-L643 PolarHBondContact O-N 3.23Å; L643-L659 HydrophobicContact CD1-CD2 4.05Å; L643-L659 HydrophobicContact CD2-CD2 3.99Å; L643-L659 HydrophobicContact CG-CD2 4Å; L643-R716 PolarHBondContact O-NH1 3.04Å; L643-R716 PolarHBondContact O-NH2 3.05Å; L643-A721 HydrophobicContact CD1-CB 4.01Å; L643-L722 HydrophobicContact CD1-CD2 4.35Å; L643-L738 HydrophobicContact CD2-CD1 3.67Å
644	L	98.6	Very high	98.4	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.096	C	C	.	.	S	Bend	trans	-128.3	74.4	-173.3	-57.8	171.5	0	0	0	110.5	W628 P642 G646 Q652 L655 I656 L659	W628-L644 HydrophobicContact CZ2-CD1 3.97Å; P642-L644 VanDerWaalsContact C-N 3.3Å; P642-L644 PolarHBondContact O-N 2.8Å; L644-G646 VanDerWaalsContact C-N 3.33Å; L644-G646 PolarHBondContact O-N 2.96Å; L644-Q652 VanDerWaalsContact CB-NE2 3.29Å; L644-Q652 PolarHBondContact O-NE2 3.16Å; L644-Q652 PolarHBondContact O-OE1 3.04Å; L644-Q652 VanDerWaalsContact O-OE1 3.09Å; L644-L655 HydrophobicContact CD2-CB 4Å; L644-L655 WeakPolarHBondContact CD2-O 3.49Å; L644-I656 HydrophobicContact CD1-CG1 3.78Å; L644-I656 HydrophobicContact CD2-CG1 4.43Å; L644-L659 HydrophobicContact CD2-CD2 4.06Å
645	P	98.2	Very high	98.3	Very high	40 Å²	40	19.2 Å²	19.2	26%	0.26	10%	0.097	S	C	.	.			trans	-84.3	60.4	-171.1	35.4	-37.4	0	0	0	113.8	F609 P642 L655	F609-P645 HydrophobicContact CE1-CB 4.4Å; P642-P645 HydrophobicContact CB-CB 4.28Å; P645-L655 HydrophobicContact CG-CD1 4.42Å
646	G	98.1	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.097	C	C	.	.			trans	-70.8	143.6	-172.7	0	0	0	0	0	116.2	R608 F609 L644 D651 Q652	R608-G646 VanDerWaalsContact CD-O 3.3Å; R608-G646 WeakPolarHBondContact CD-O 3.34Å; R608-G646 PolarHBondContact NH1-O 3.45Å; F609-G646 WeakPolarHBondContact CE1-O 3.39Å; L644-G646 VanDerWaalsContact C-N 3.33Å; L644-G646 PolarHBondContact O-N 2.96Å; G646-D651 WeakPolarHBondContact CA-OD2 3.3Å; G646-Q652 VanDerWaalsContact CA-OE1 3.23Å
647	E	97.6	Very high	98.3	Very high	26 Å²	26	19.2 Å²	19.2	12%	0.121	10%	0.097	C	C	.	.	S	Bend	trans	-74.9	-48.8	179.3	-78.7	162.3	-156.1	0	0	113.1	R608 D651 S704 K705 R706	R608-E647 PolarHBondContact NE-O 3.35Å; R608-E647 PolarHBondContact NH1-O 3.43Å; R608-E647 VanDerWaalsContact NH1-O 3.14Å; E647-D651 HydrophobicContact CB-CB 4Å; E647-D651 WeakPolarHBondContact CB-OD2 3.4Å; E647-D651 PolarHBondContact N-OD2 3.43Å; E647-S704 PolarHBondContact OE1-OG 3.46Å; E647-S704 WeakPolarHBondContact OE2-CB 3.47Å; E647-S704 PolarHBondContact OE2-OG 2.85Å; E647-K705 PolarHBondContact OE2-N 3.22Å; E647-R706 HydrophobicContact CG-CG 4.48Å; E647-R706 VanDerWaalsContact CG-CZ 3.43Å; E647-R706 WeakPolarHBondContact OE1-CB 3.39Å; E647-R706 IonicContact OE1-CZ 3.49Å; E647-R706 IonicContact OE1-NE 3.53Å; E647-R706 PolarHBondContact OE1-NE 2.91Å; E647-R706 IonicContact OE1-NH2 2.8Å; E647-R706 PolarHBondContact OE1-NH2 2.93Å; E647-R706 PolarHBondContact OE2-N 2.71Å; E647-R706 IonicContact OE2-NE 2.66Å
648	D	97.4	Very high	98.3	Very high	35 Å²	35	20.3 Å²	20.3	19%	0.187	10%	0.102	C	C	.	.	S	Bend	trans	-137.7	-172	170.7	64.6	54.8	0	0	0	109.4	N650 D651 Q652 K705	D648-N650 VanDerWaalsContact C-N 3.29Å; D648-N650 PolarHBondContact O-N 3.27Å; D648-N650 WeakPolarHBondContact OD1-CA 3.45Å; D648-N650 VanDerWaalsContact OD1-CB 3.32Å; D648-N650 WeakPolarHBondContact OD1-CB 3.15Å; D648-N650 PolarHBondContact OD1-N 3.43Å; D648-N650 PolarHBondContact OD1-ND2 3.23Å; D648-D651 PolarHBondContact O-N 3.11Å; D648-D651 PolarHBondContact OD1-N 2.86Å; D648-Q652 VanDerWaalsContact O-CB 3.28Å; D648-Q652 WeakPolarHBondContact O-CB 3.38Å; D648-Q652 PolarHBondContact O-N 2.9Å; D648-K705 WeakPolarHBondContact OD2-CE 3.42Å; D648-K705 IonicContact OD2-NZ 2.9Å; D648-K705 PolarHBondContact OD2-NZ 3.39Å
649	E	96.9	Very high	98.3	Very high	43 Å²	43	20.5 Å²	20.5	20%	0.201	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-26.2	-177.6	58.8	-179.5	177.1	0	0	114.7	I616 L653 R673 F677	I616-E649 HydrophobicContact CG2-CB 4.26Å; E649-L653 PolarHBondContact O-N 3.48Å; E649-L653 VanDerWaalsContact O-N 3.16Å; E649-R673 IonicContact OE1-CZ 2.68Å; E649-R673 IonicContact OE1-NH1 2.75Å; E649-R673 IonicContact OE1-NH2 3.29Å; E649-R673 PolarHBondContact OE1-NH2 2.87Å; E649-R673 IonicContact OE2-CZ 3.13Å; E649-R673 IonicContact OE2-NH1 3.38Å; E649-R673 PolarHBondContact OE2-NH1 3.41Å; E649-R673 IonicContact OE2-NH2 3.92Å; E649-R673 PolarHBondContact OE2-NH2 2.82Å; E649-R673 VanDerWaalsContact OE2-NH2 3.11Å; E649-F677 HydrophobicContact CG-CE1 4.23Å; E649-F677 HydrophobicContact CG-CZ 4.33Å
650	N	96.9	Very high	98.3	Very high	67 Å²	67	22.4 Å²	22.4	36%	0.358	11%	0.113	S	C	.	.	H	α-helix	trans	-75.3	-45.9	175.5	-52.3	-90.5	0	0	0	110.1	D648 Q652 L653 A654 F677	D648-N650 VanDerWaalsContact C-N 3.29Å; D648-N650 PolarHBondContact O-N 3.27Å; D648-N650 WeakPolarHBondContact OD1-CA 3.45Å; D648-N650 VanDerWaalsContact OD1-CB 3.32Å; D648-N650 WeakPolarHBondContact OD1-CB 3.15Å; D648-N650 PolarHBondContact OD1-N 3.43Å; D648-N650 PolarHBondContact OD1-ND2 3.23Å; N650-Q652 VanDerWaalsContact C-N 3.32Å; N650-Q652 PolarHBondContact O-N 2.86Å; N650-L653 PolarHBondContact O-N 3.22Å; N650-A654 WeakPolarHBondContact O-CB 3.41Å; N650-A654 PolarHBondContact O-N 3.37Å; N650-F677 HydrophobicContact CB-CD1 4.42Å; N650-F677 HydrophobicContact CB-CE1 4.4Å; N650-F677 WeakPolarHBondContact OD1-CD1 3.49Å; N650-F677 VanDerWaalsContact OD1-CE1 3.28Å; N650-F677 WeakPolarHBondContact OD1-CE1 3.48Å
651	D	98.5	Very high	98.3	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.064	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-33.4	177.3	-170.5	59.1	0	0	0	111.9	G646 E647 D648 L655 S704 R710	G646-D651 WeakPolarHBondContact CA-OD2 3.3Å; E647-D651 HydrophobicContact CB-CB 4Å; E647-D651 WeakPolarHBondContact CB-OD2 3.4Å; E647-D651 PolarHBondContact N-OD2 3.43Å; D648-D651 PolarHBondContact O-N 3.11Å; D648-D651 PolarHBondContact OD1-N 2.86Å; D651-L655 WeakPolarHBondContact O-CD1 3.38Å; D651-L655 WeakPolarHBondContact O-CG 3.2Å; D651-L655 PolarHBondContact O-N 3.16Å; D651-S704 VanDerWaalsContact OD1-CB 3.29Å; D651-S704 WeakPolarHBondContact OD1-CB 3.12Å; D651-R710 VanDerWaalsContact CG-NH2 3.33Å; D651-R710 IonicContact OD1-CZ 2.72Å; D651-R710 VanDerWaalsContact OD1-CZ 3.3Å; D651-R710 IonicContact OD1-NE 3.61Å; D651-R710 PolarHBondContact OD1-NE 3.45Å; D651-R710 IonicContact OD1-NH2 2.86Å; D651-R710 PolarHBondContact OD1-NH2 3.15Å; D651-R710 IonicContact OD2-CZ 3.44Å; D651-R710 IonicContact OD2-NE 3.58Å; D651-R710 IonicContact OD2-NH2 3.85Å; D651-R710 PolarHBondContact OD2-NH2 3.24Å
652	Q	98.8	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-47.7	171.2	-170	67.6	32	0	0	111.1	R608 F609 I616 L644 G646 D648 N650 L655 I656	R608-Q652 HydrophobicContact CG-CB 4.25Å; R608-Q652 HydrophobicContact CG-CG 4.2Å; R608-Q652 PolarHBondContact O-NE2 3.36Å; R608-Q652 PolarHBondContact O-OE1 3.44Å; F609-Q652 PolarHBondContact O-NE2 3.46Å; I616-Q652 HydrophobicContact CD1-CB 4.18Å; I616-Q652 HydrophobicContact CD1-CG 3.81Å; L644-Q652 VanDerWaalsContact CB-NE2 3.29Å; L644-Q652 PolarHBondContact O-NE2 3.16Å; L644-Q652 PolarHBondContact O-OE1 3.04Å; L644-Q652 VanDerWaalsContact O-OE1 3.09Å; G646-Q652 VanDerWaalsContact CA-OE1 3.23Å; D648-Q652 VanDerWaalsContact O-CB 3.28Å; D648-Q652 WeakPolarHBondContact O-CB 3.38Å; D648-Q652 PolarHBondContact O-N 2.9Å; N650-Q652 VanDerWaalsContact C-N 3.32Å; N650-Q652 PolarHBondContact O-N 2.86Å; Q652-L655 PolarHBondContact O-N 3.03Å; Q652-I656 WeakPolarHBondContact O-CG1 3.44Å; Q652-I656 PolarHBondContact O-N 3.08Å; Q652-I656 VanDerWaalsContact O-N 3.16Å
653	L	98.5	Very high	98.1	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-71.3	-32.3	179.2	-169.3	62.6	0	0	0	112.6	I616 L617 E649 N650 I656 I657 F677 W740	I616-L653 HydrophobicContact CG2-CB 4.24Å; I616-L653 HydrophobicContact CG2-CD2 4.19Å; L617-L653 HydrophobicContact CD2-CD2 3.87Å; L617-L653 HydrophobicContact CG-CD2 4.46Å; E649-L653 PolarHBondContact O-N 3.48Å; E649-L653 VanDerWaalsContact O-N 3.16Å; N650-L653 PolarHBondContact O-N 3.22Å; L653-I656 HydrophobicContact CD1-CB 4.42Å; L653-I656 HydrophobicContact CD1-CD1 4.2Å; L653-I656 WeakPolarHBondContact O-CB 3.2Å; L653-I656 PolarHBondContact O-N 3.12Å; L653-I657 HydrophobicContact CG-CD1 4.13Å; L653-I657 WeakPolarHBondContact O-CG1 3.49Å; L653-I657 PolarHBondContact O-N 3.28Å; L653-F677 HydrophobicContact CD2-CB 3.56Å; L653-F677 HydrophobicContact CD2-CD1 3.9Å; L653-F677 HydrophobicContact CD2-CD2 3.88Å; L653-F677 HydrophobicContact CD2-CG 3.5Å; L653-W740 HydrophobicContact CD1-CH2 3.72Å; L653-W740 HydrophobicContact CD1-CZ3 3.86Å
654	A	98.6	Very high	97.9	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-45	171.6	0	0	0	0	0	111.7	N650 I656 I657 E658 Y686 R710	N650-A654 WeakPolarHBondContact O-CB 3.41Å; N650-A654 PolarHBondContact O-N 3.37Å; A654-I656 VanDerWaalsContact C-N 3.31Å; A654-I656 PolarHBondContact O-N 3.36Å; A654-I657 PolarHBondContact O-N 3.26Å; A654-E658 VanDerWaalsContact O-CB 3.3Å; A654-E658 WeakPolarHBondContact O-CB 3.4Å; A654-E658 PolarHBondContact O-N 3.47Å; A654-Y686 HydrophobicContact CB-CD1 3.53Å; A654-Y686 HydrophobicContact CB-CD2 3.86Å; A654-Y686 HydrophobicContact CB-CE1 3.88Å; A654-Y686 HydrophobicContact CB-CE2 4.17Å; A654-Y686 HydrophobicContact CB-CG 3.54Å; A654-R710 HydrophobicContact CB-CG 4.28Å
655	L	98.7	Very high	97.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-33.2	174.6	-75.4	162.9	0	0	0	113.3	L644 P645 D651 Q652 L659	L644-L655 HydrophobicContact CD2-CB 4Å; L644-L655 WeakPolarHBondContact CD2-O 3.49Å; P645-L655 HydrophobicContact CG-CD1 4.42Å; D651-L655 WeakPolarHBondContact O-CD1 3.38Å; D651-L655 WeakPolarHBondContact O-CG 3.2Å; D651-L655 PolarHBondContact O-N 3.16Å; Q652-L655 PolarHBondContact O-N 3.03Å; L655-L659 PolarHBondContact O-N 3.13Å
656	I	98.8	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.5	-48.7	173.7	-65.5	169.1	0	0	0	109.8	I616 W628 L644 Q652 L653 A654 E658 L659 L660 W740	I616-I656 HydrophobicContact CD1-CD1 4.18Å; W628-I656 HydrophobicContact CH2-CD1 4.19Å; W628-I656 HydrophobicContact CH2-CG1 4.26Å; W628-I656 HydrophobicContact CH2-CG2 3.77Å; W628-I656 HydrophobicContact CZ2-CD1 3.67Å; W628-I656 HydrophobicContact CZ2-CG1 3.86Å; W628-I656 HydrophobicContact CZ2-CG2 4.24Å; L644-I656 HydrophobicContact CD1-CG1 3.78Å; L644-I656 HydrophobicContact CD2-CG1 4.43Å; Q652-I656 WeakPolarHBondContact O-CG1 3.44Å; Q652-I656 PolarHBondContact O-N 3.08Å; Q652-I656 VanDerWaalsContact O-N 3.16Å; L653-I656 HydrophobicContact CD1-CB 4.42Å; L653-I656 HydrophobicContact CD1-CD1 4.2Å; L653-I656 WeakPolarHBondContact O-CB 3.2Å; L653-I656 PolarHBondContact O-N 3.12Å; A654-I656 VanDerWaalsContact C-N 3.31Å; A654-I656 PolarHBondContact O-N 3.36Å; I656-E658 PolarHBondContact O-N 2.93Å; I656-L659 PolarHBondContact O-N 2.78Å; I656-L660 HydrophobicContact CG2-CD1 3.76Å; I656-L660 HydrophobicContact CG2-CG 4.28Å; I656-L660 WeakPolarHBondContact O-CB 3.38Å; I656-L660 PolarHBondContact O-N 2.86Å; I656-W740 HydrophobicContact CB-CH2 4.29Å; I656-W740 HydrophobicContact CG2-CH2 3.45Å; I656-W740 VanDerWaalsContact CG2-CH2 3.45Å; I656-W740 HydrophobicContact CG2-CZ2 3.52Å; I656-W740 HydrophobicContact CG2-CZ3 4.02Å
657	I	98.8	Very high	96.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-39.1	-178.9	-68.5	170.2	0	0	0	111.6	L653 A654 L659 G661 M662 I678 P684 Y686 P713 A714 W740	L653-I657 HydrophobicContact CG-CD1 4.13Å; L653-I657 WeakPolarHBondContact O-CG1 3.49Å; L653-I657 PolarHBondContact O-N 3.28Å; A654-I657 PolarHBondContact O-N 3.26Å; I657-L659 VanDerWaalsContact C-N 3.27Å; I657-L659 PolarHBondContact O-N 3.35Å; I657-G661 WeakPolarHBondContact CA-O 3.16Å; I657-G661 VanDerWaalsContact O-CA 3.32Å; I657-G661 WeakPolarHBondContact O-CA 3.47Å; I657-G661 PolarHBondContact O-N 3.49Å; I657-M662 HydrophobicContact CD1-SD 4.48Å; I657-M662 HydrophobicContact CG2-SD 3.75Å; I657-I678 HydrophobicContact CD1-CD1 4.25Å; I657-P684 HydrophobicContact CD1-CB 4.08Å; I657-Y686 HydrophobicContact CB-CE1 4.06Å; I657-Y686 HydrophobicContact CD1-CE1 4.42Å; I657-Y686 HydrophobicContact CG2-CE1 3.92Å; I657-P713 HydrophobicContact CG2-CB 3.73Å; I657-P713 HydrophobicContact CG2-CG 3.64Å; I657-P713 WeakPolarHBondContact O-CA 3.35Å; I657-A714 PolarHBondContact O-N 3.09Å; I657-W740 HydrophobicContact CG1-CH2 3.76Å; I657-W740 HydrophobicContact CG1-CZ2 3.79Å
658	E	98.7	Very high	96.4	Very high	22 Å²	22	29.7 Å²	29.7	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-34.8	174.6	-172.5	-166.8	-133.1	0	0	112.7	A654 I656 R710 G711 A714 S715 R716	A654-E658 VanDerWaalsContact O-CB 3.3Å; A654-E658 WeakPolarHBondContact O-CB 3.4Å; A654-E658 PolarHBondContact O-N 3.47Å; I656-E658 PolarHBondContact O-N 2.93Å; E658-R710 WeakPolarHBondContact OE1-CA 3.24Å; E658-G711 PolarHBondContact OE1-N 2.94Å; E658-A714 CarbonylContact O-C 3.53Å; E658-A714 VanDerWaalsContact O-CA 3.23Å; E658-A714 WeakPolarHBondContact O-CA 3.31Å; E658-A714 PolarHBondContact O-N 3.36Å; E658-S715 PolarHBondContact O-N 3.25Å; E658-S715 VanDerWaalsContact O-N 3.09Å; E658-R716 HydrophobicContact CG-CB 3.74Å; E658-R716 PolarHBondContact O-N 3.5Å; E658-R716 WeakPolarHBondContact OE2-CD 3.28Å
659	L	98.7	Very high	96	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-94	-36.2	-177.6	-179.7	62.6	0	0	0	113.9	L643 L644 L655 I656 I657 R716 W718 A721	L643-L659 HydrophobicContact CD1-CD2 4.05Å; L643-L659 HydrophobicContact CD2-CD2 3.99Å; L643-L659 HydrophobicContact CG-CD2 4Å; L644-L659 HydrophobicContact CD2-CD2 4.06Å; L655-L659 PolarHBondContact O-N 3.13Å; I656-L659 PolarHBondContact O-N 2.78Å; I657-L659 VanDerWaalsContact C-N 3.27Å; I657-L659 PolarHBondContact O-N 3.35Å; L659-R716 HydrophobicContact CD1-CG 4.42Å; L659-R716 WeakPolarHBondContact CD1-O 3.5Å; L659-W718 HydrophobicContact CD1-CD2 4.31Å; L659-W718 HydrophobicContact CD2-CH2 4.42Å; L659-W718 HydrophobicContact CG-CZ2 4.4Å; L659-A721 HydrophobicContact CD1-CB 3.72Å
660	L	98.4	Very high	95.7	Very high	44 Å²	44	37.7 Å²	37.7	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-108.8	-8.7	-170.4	-56.4	-172.9	0	0	0	114.3	W628 I656 W718 L738	W628-L660 HydrophobicContact CH2-CD1 3.68Å; W628-L660 HydrophobicContact CZ3-CD1 4.05Å; I656-L660 HydrophobicContact CG2-CD1 3.76Å; I656-L660 HydrophobicContact CG2-CG 4.28Å; I656-L660 WeakPolarHBondContact O-CB 3.38Å; I656-L660 PolarHBondContact O-N 2.86Å; L660-W718 HydrophobicContact CD2-CH2 4.11Å; L660-W718 HydrophobicContact CD2-CZ2 3.48Å; L660-W718 VanDerWaalsContact CD2-CZ2 3.48Å; L660-L738 HydrophobicContact CD1-CB 4.47Å; L660-L738 VanDerWaalsContact CD1-O 3.22Å; L660-L738 WeakPolarHBondContact CD1-O 3.46Å
661	G	98.2	Very high	95.6	Very high	9 Å²	9	35 Å²	35	9%	0.093	19%	0.192	C	C	.	.			trans	79	-170.4	-167.1	0	0	0	0	0	112.3	I657 W740	I657-G661 WeakPolarHBondContact CA-O 3.16Å; I657-G661 VanDerWaalsContact O-CA 3.32Å; I657-G661 WeakPolarHBondContact O-CA 3.47Å; I657-G661 PolarHBondContact O-N 3.49Å; G661-W740 VanDerWaalsContact O-CZ2 3.3Å; G661-W740 WeakPolarHBondContact O-CZ2 3.49Å; G661-W740 PolarHBondContact O-NE1 2.85Å
662	M	97.6	Very high	95.5	Very high	65 Å²	65	43.6 Å²	43.6	32%	0.32	23%	0.229	S	C	.	.	S	Bend	trans	-71.5	147.3	-177.1	-68.8	-64.1	-69.2	0	0	112.3	I657 I678 G682 P684 P713	I657-M662 HydrophobicContact CD1-SD 4.48Å; I657-M662 HydrophobicContact CG2-SD 3.75Å; M662-I678 HydrophobicContact CE-CD1 4.08Å; M662-G682 WeakPolarHBondContact CE-O 3.18Å; M662-P684 HydrophobicContact CE-CB 4.32Å; M662-P684 HydrophobicContact CE-CG 4.35Å; M662-P684 HydrophobicContact SD-CB 4.11Å; M662-P684 HydrophobicContact SD-CG 3.79Å; M662-P713 HydrophobicContact CG-CB 3.96Å; M662-P713 HydrophobicContact CG-CG 3.94Å; M662-P713 HydrophobicContact SD-CB 4.18Å; M662-P713 HydrophobicContact SD-CG 3.65Å
663	P	95.7	Very high	95.4	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.058	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.6	143.4	168.8	24.2	-33.1	0	0	0	111.5	L668 W740	P663-L668 HydrophobicContact CB-CD2 4.23Å; P663-L668 HydrophobicContact CB-CG 4.37Å; P663-L668 HydrophobicContact CG-CD1 4.18Å; P663-L668 HydrophobicContact CG-CD2 3.76Å; P663-L668 HydrophobicContact CG-CG 4.09Å; P663-W740 HydrophobicContact CB-CD2 3.9Å; P663-W740 HydrophobicContact CB-CE3 3.71Å; P663-W740 HydrophobicContact CB-CH2 4.01Å; P663-W740 HydrophobicContact CB-CZ2 4.19Å; P663-W740 HydrophobicContact CB-CZ3 3.77Å; P663-W740 HydrophobicContact CG-CH2 4.16Å; P663-W740 HydrophobicContact CG-CZ2 4.43Å; P663-W740 HydrophobicContact CG-CZ3 4.29Å
664	P	93.6	Very high	95.3	Very high	52 Å²	52	47.7 Å²	47.7	34%	0.338	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-58.4	149.2	173.3	-24.5	34	0	0	0	112.9	K666 S667 L668 W740	P664-K666 PolarHBondContact O-N 3.27Å; P664-S667 VanDerWaalsContact O-CB 3.31Å; P664-S667 WeakPolarHBondContact O-CB 3.37Å; P664-S667 PolarHBondContact O-N 3.44Å; P664-L668 PolarHBondContact O-N 3.1Å; P664-W740 HydrophobicContact CG-CB 4.21Å
665	P	91.4	Very high	95.2	Very high	96 Å²	96	58.1 Å²	58.1	62%	0.623	29%	0.286	S	S	*	.	H	α-helix	trans	-54.3	-45.1	179	-28.7	36.2	0	0	0	114.2	S667 L668 E669	P665-S667 PolarHBondContact O-N 3.26Å; P665-S667 VanDerWaalsContact O-N 3.16Å; P665-L668 WeakPolarHBondContact O-CA 3.3Å; P665-L668 WeakPolarHBondContact O-CB 3.43Å; P665-L668 PolarHBondContact O-N 3.37Å; P665-E669 WeakPolarHBondContact O-CG 3.29Å; P665-E669 PolarHBondContact O-N 3.1Å
666	K	88.9	Confident	95.1	Very high	99 Å²	99	61.4 Å²	61.4	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-49.1	-40.7	173	-178	-164.4	170.2	-156.9	0	112.6	P664 L668 E669 D741 E743	P664-K666 PolarHBondContact O-N 3.27Å; K666-L668 VanDerWaalsContact C-N 3.28Å; K666-L668 PolarHBondContact O-N 2.78Å; K666-E669 PolarHBondContact N-OE1 3.34Å; K666-D741 WeakPolarHBondContact CE-OD2 3.36Å; K666-D741 IonicContact NZ-OD1 3.49Å; K666-D741 IonicContact NZ-OD2 3.22Å; K666-D741 PolarHBondContact NZ-OD2 3.41Å; K666-E743 IonicContact NZ-OE2 2.77Å; K666-E743 PolarHBondContact NZ-OE2 2.97Å
667	S	88.9	Confident	95	Very high	13 Å²	13	61.8 Å²	61.8	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-72.1	-20.7	179.8	-46.6	0	0	0	0	113	P664 P665 A671	P664-S667 VanDerWaalsContact O-CB 3.31Å; P664-S667 WeakPolarHBondContact O-CB 3.37Å; P664-S667 PolarHBondContact O-N 3.44Å; P665-S667 PolarHBondContact O-N 3.26Å; P665-S667 VanDerWaalsContact O-N 3.16Å; S667-A671 WeakPolarHBondContact O-CB 3.29Å
668	L	91.8	Very high	94.9	Very high	39 Å²	39	62 Å²	62	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-92	-30	176.3	-63.9	-179.6	0	0	0	113.2	L617 P663 P664 P665 K666 T670 A671 A674 I678	L617-L668 HydrophobicContact CD1-CD2 4.46Å; L617-L668 HydrophobicContact CD2-CD2 4.29Å; P663-L668 HydrophobicContact CB-CD2 4.23Å; P663-L668 HydrophobicContact CB-CG 4.37Å; P663-L668 HydrophobicContact CG-CD1 4.18Å; P663-L668 HydrophobicContact CG-CD2 3.76Å; P663-L668 HydrophobicContact CG-CG 4.09Å; P664-L668 PolarHBondContact O-N 3.1Å; P665-L668 WeakPolarHBondContact O-CA 3.3Å; P665-L668 WeakPolarHBondContact O-CB 3.43Å; P665-L668 PolarHBondContact O-N 3.37Å; K666-L668 VanDerWaalsContact C-N 3.28Å; K666-L668 PolarHBondContact O-N 2.78Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.81Å; L668-A671 WeakPolarHBondContact O-CB 3.38Å; L668-A671 PolarHBondContact O-N 2.78Å; L668-A671 VanDerWaalsContact O-N 3.14Å; L668-A674 HydrophobicContact CB-CB 4.5Å; L668-A674 HydrophobicContact CD2-CB 3.99Å; L668-I678 HydrophobicContact CD1-CG1 4.38Å; L668-I678 HydrophobicContact CD1-CG2 4.43Å; L668-I678 HydrophobicContact CD2-CG1 4.05Å
669	E	90.1	Very high	94.8	Very high	151 Å²	151	62.9 Å²	62.9	71%	0.706	32%	0.316	S	S	*	.	H	α-helix	trans	-58.1	-40.5	179.3	-73.5	159.3	-146.7	0	0	112.7	P665 K666	P665-E669 WeakPolarHBondContact O-CG 3.29Å; P665-E669 PolarHBondContact O-N 3.1Å; K666-E669 PolarHBondContact N-OE1 3.34Å
670	T	90.8	Very high	94.4	Very high	96 Å²	96	68.8 Å²	68.8	59%	0.589	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.7	179.2	61.5	0	0	0	0	113.7	T619 L668 K672	T619-T670 WeakPolarHBondContact CG2-OG1 3.47Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.81Å; T670-K672 PolarHBondContact O-N 3.41Å
671	A	95	Very high	94.1	Very high	10 Å²	10	74.2 Å²	74.2	8%	0.083	38%	0.379	C	S	.	.			trans	-86.6	98.7	-170.8	0	0	0	0	0	112.4	L617 T619 S667 L668 R673 A674	L617-A671 HydrophobicContact CB-CB 3.89Å; L617-A671 CarbonylContact O-C 3.6Å; T619-A671 HydrophobicContact CG2-CB 3.65Å; S667-A671 WeakPolarHBondContact O-CB 3.29Å; L668-A671 WeakPolarHBondContact O-CB 3.38Å; L668-A671 PolarHBondContact O-N 2.78Å; L668-A671 VanDerWaalsContact O-N 3.14Å; A671-R673 PolarHBondContact O-N 3.01Å; A671-A674 HydrophobicContact CB-CB 3.74Å; A671-A674 WeakPolarHBondContact O-CB 3.46Å; A671-A674 PolarHBondContact O-N 2.96Å
672	K	96.2	Very high	93.9	Very high	192 Å²	192	75.5 Å²	75.5	84%	0.835	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.3	-179.6	-61.5	177.7	-177.8	178.5	0	114.1	L617 G618 T670	L617-K672 PolarHBondContact O-N 3.41Å; G618-K672 WeakPolarHBondContact O-CB 3.39Å; G618-K672 WeakPolarHBondContact O-CG 2.93Å; T670-K672 PolarHBondContact O-N 3.41Å
673	R	96.7	Very high	93.8	Very high	78 Å²	78	75.9 Å²	75.9	29%	0.294	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	4.8	-179.3	-49.1	179.3	70.2	-146.1	8.4	113.8	I616 L617 E649 A671 R675 T676 F677	I616-R673 WeakPolarHBondContact O-CD 3.37Å; I616-R673 PolarHBondContact O-NH1 2.77Å; L617-R673 WeakPolarHBondContact O-CA 3.19Å; L617-R673 VanDerWaalsContact O-CB 3.31Å; L617-R673 WeakPolarHBondContact O-CB 3.34Å; L617-R673 PolarHBondContact O-N 3.48Å; E649-R673 IonicContact OE1-CZ 2.68Å; E649-R673 IonicContact OE1-NH1 2.75Å; E649-R673 IonicContact OE1-NH2 3.29Å; E649-R673 PolarHBondContact OE1-NH2 2.87Å; E649-R673 IonicContact OE2-CZ 3.13Å; E649-R673 IonicContact OE2-NH1 3.38Å; E649-R673 PolarHBondContact OE2-NH1 3.41Å; E649-R673 IonicContact OE2-NH2 3.92Å; E649-R673 PolarHBondContact OE2-NH2 2.82Å; E649-R673 VanDerWaalsContact OE2-NH2 3.11Å; A671-R673 PolarHBondContact O-N 3.01Å; R673-R675 PolarHBondContact O-N 3.49Å; R673-R675 VanDerWaalsContact O-N 3.14Å; R673-T676 VanDerWaalsContact O-CB 3.22Å; R673-T676 WeakPolarHBondContact O-CB 3.4Å; R673-T676 PolarHBondContact O-N 3.32Å; R673-T676 PolarHBondContact O-OG1 2.99Å; R673-F677 HydrophobicContact CB-CE2 3.96Å; R673-F677 VanDerWaalsContact O-CD2 3.29Å; R673-F677 WeakPolarHBondContact O-CD2 3.23Å
674	A	96.3	Very high	93.8	Very high	12 Å²	12	75.5 Å²	75.5	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-51.8	-41.7	-178.4	0	0	0	0	0	113	L668 A671 T676 F677 I678	L668-A674 HydrophobicContact CB-CB 4.5Å; L668-A674 HydrophobicContact CD2-CB 3.99Å; A671-A674 HydrophobicContact CB-CB 3.74Å; A671-A674 WeakPolarHBondContact O-CB 3.46Å; A671-A674 PolarHBondContact O-N 2.96Å; A674-T676 PolarHBondContact O-N 3.16Å; A674-T676 VanDerWaalsContact O-N 3.12Å; A674-F677 PolarHBondContact O-N 2.68Å; A674-I678 PolarHBondContact O-N 2.91Å
675	R	95.7	Very high	94	Very high	221 Å²	221	79.6 Å²	79.6	83%	0.834	40%	0.397	S	S	*	.	H	α-helix	trans	-62	-18.7	179.4	-63.8	-177.2	-178.6	-178.9	0.5	114.4	R673 R685	R673-R675 PolarHBondContact O-N 3.49Å; R673-R675 VanDerWaalsContact O-N 3.14Å; R675-R685 VanDerWaalsContact O-CZ 3.31Å; R675-R685 PolarHBondContact O-NE 2.86Å; R675-R685 PolarHBondContact O-NH2 3.47Å
676	T	96.8	Very high	94.2	Very high	71 Å²	71	77.1 Å²	77.1	44%	0.436	38%	0.375	S	S	.	.	H	α-helix	trans	-72.8	-31.3	173.5	-56.6	0	0	0	0	112	R673 A674 R685	R673-T676 VanDerWaalsContact O-CB 3.22Å; R673-T676 WeakPolarHBondContact O-CB 3.4Å; R673-T676 PolarHBondContact O-N 3.32Å; R673-T676 PolarHBondContact O-OG1 2.99Å; A674-T676 PolarHBondContact O-N 3.16Å; A674-T676 VanDerWaalsContact O-N 3.12Å; T676-R685 WeakPolarHBondContact O-CD 3.35Å
677	F	97.1	Very high	94.6	Very high	10 Å²	10	73.1 Å²	73.1	4%	0.044	36%	0.36	C	S	.	.	H	α-helix	trans	-113.3	-26.7	-171.8	-51.5	-74.4	0	0	0	113.8	I616 L617 E649 N650 L653 R673 A674 R685	I616-F677 HydrophobicContact CG2-CE1 4Å; I616-F677 HydrophobicContact CG2-CE2 3.85Å; I616-F677 HydrophobicContact CG2-CZ 3.52Å; I616-F677 WeakPolarHBondContact O-CE2 3.19Å; L617-F677 HydrophobicContact CD2-CD2 4.05Å; E649-F677 HydrophobicContact CG-CE1 4.23Å; E649-F677 HydrophobicContact CG-CZ 4.33Å; N650-F677 HydrophobicContact CB-CD1 4.42Å; N650-F677 HydrophobicContact CB-CE1 4.4Å; N650-F677 WeakPolarHBondContact OD1-CD1 3.49Å; N650-F677 VanDerWaalsContact OD1-CE1 3.28Å; N650-F677 WeakPolarHBondContact OD1-CE1 3.48Å; L653-F677 HydrophobicContact CD2-CB 3.56Å; L653-F677 HydrophobicContact CD2-CD1 3.9Å; L653-F677 HydrophobicContact CD2-CD2 3.88Å; L653-F677 HydrophobicContact CD2-CG 3.5Å; R673-F677 HydrophobicContact CB-CE2 3.96Å; R673-F677 VanDerWaalsContact O-CD2 3.29Å; R673-F677 WeakPolarHBondContact O-CD2 3.23Å; A674-F677 PolarHBondContact O-N 2.68Å; F677-R685 WeakPolarHBondContact O-CB 3.5Å; F677-R685 WeakPolarHBondContact O-CG 3.49Å; F677-R685 PolarHBondContact O-N 3.17Å
678	I	96.9	Very high	94.9	Very high	7 Å²	7	76.6 Å²	76.6	4%	0.036	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-117.3	144.3	-177.4	-47.1	-60.4	0	0	0	109	I657 M662 L668 A674 G682 P684 R685	I657-I678 HydrophobicContact CD1-CD1 4.25Å; M662-I678 HydrophobicContact CE-CD1 4.08Å; L668-I678 HydrophobicContact CD1-CG1 4.38Å; L668-I678 HydrophobicContact CD1-CG2 4.43Å; L668-I678 HydrophobicContact CD2-CG1 4.05Å; A674-I678 PolarHBondContact O-N 2.91Å; I678-G682 VanDerWaalsContact CG2-O 3.27Å; I678-G682 WeakPolarHBondContact CG2-O 3.44Å; I678-P684 HydrophobicContact CD1-CB 4.23Å; I678-R685 PolarHBondContact O-NE 2.88Å
679	T	95.4	Very high	95	Very high	41 Å²	41	77 Å²	77	25%	0.252	39%	0.39	S	S	.	.			trans	-80.2	166	175.5	62.6	0	0	0	0	111.7	K681 G682 Y683 R685	T679-K681 PolarHBondContact O-N 3.24Å; T679-G682 PolarHBondContact O-N 3.17Å; T679-Y683 WeakPolarHBondContact CB-O 3.34Å; T679-Y683 WeakPolarHBondContact CG2-O 3.47Å; T679-Y683 PolarHBondContact N-O 3.02Å; T679-Y683 PolarHBondContact OG1-N 2.7Å; T679-Y683 VanDerWaalsContact OG1-N 3.09Å; T679-Y683 PolarHBondContact OG1-O 3.32Å; T679-R685 HydrophobicContact CG2-CG 3.68Å
680	S	92	Very high	95.3	Very high	129 Å²	129	73.1 Å²	73.1	90%	0.902	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	172.6	47.1	0	0	0	0	114	G682	S680-G682 VanDerWaalsContact C-N 3.31Å
681	K	91.6	Very high	95.4	Very high	158 Å²	158	72.7 Å²	72.7	69%	0.687	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	6.8	173.3	-63.2	-170.9	177.1	-173.3	0	113.5	T679 Y683	T679-K681 PolarHBondContact O-N 3.24Å; K681-Y683 VanDerWaalsContact C-N 3.27Å; K681-Y683 HydrophobicContact CB-CD2 3.71Å; K681-Y683 HydrophobicContact CB-CE2 3.55Å; K681-Y683 HydrophobicContact CD-CD2 4.45Å; K681-Y683 HydrophobicContact CD-CE2 3.85Å; K681-Y683 HydrophobicContact CG-CE2 4.36Å; K681-Y683 PolarHBondContact O-N 3.21Å
682	G	92.8	Very high	95.4	Very high	37 Å²	37	76.2 Å²	76.2	38%	0.381	39%	0.393	S	S	.	.	S	Bend	trans	81.5	-11.3	-178.7	0	0	0	0	0	115.5	M662 I678 T679 S680	M662-G682 WeakPolarHBondContact CE-O 3.18Å; I678-G682 VanDerWaalsContact CG2-O 3.27Å; I678-G682 WeakPolarHBondContact CG2-O 3.44Å; T679-G682 PolarHBondContact O-N 3.17Å; S680-G682 VanDerWaalsContact C-N 3.31Å
683	Y	95.4	Very high	95.2	Very high	72 Å²	72	73.8 Å²	73.8	28%	0.282	40%	0.397	S	S	.	.			trans	-71.4	145.1	178	-47.9	-48.8	0	0	0	112.2	T679 K681 A689 V697 L699	T679-Y683 WeakPolarHBondContact CB-O 3.34Å; T679-Y683 WeakPolarHBondContact CG2-O 3.47Å; T679-Y683 PolarHBondContact N-O 3.02Å; T679-Y683 PolarHBondContact OG1-N 2.7Å; T679-Y683 VanDerWaalsContact OG1-N 3.09Å; T679-Y683 PolarHBondContact OG1-O 3.32Å; K681-Y683 VanDerWaalsContact C-N 3.27Å; K681-Y683 HydrophobicContact CB-CD2 3.71Å; K681-Y683 HydrophobicContact CB-CE2 3.55Å; K681-Y683 HydrophobicContact CD-CD2 4.45Å; K681-Y683 HydrophobicContact CD-CE2 3.85Å; K681-Y683 HydrophobicContact CG-CE2 4.36Å; K681-Y683 PolarHBondContact O-N 3.21Å; Y683-A689 HydrophobicContact CD2-CB 3.86Å; Y683-A689 HydrophobicContact CE2-CB 4.33Å; Y683-A689 HydrophobicContact CG-CB 4.3Å; Y683-V697 HydrophobicContact CE1-CG1 4.23Å; Y683-V697 HydrophobicContact CE2-CG1 4.11Å; Y683-L699 HydrophobicContact CD1-CD1 4.44Å; Y683-L699 HydrophobicContact CD1-CD2 3.96Å; Y683-L699 HydrophobicContact CG-CD2 3.99Å
684	P	97.1	Very high	95.1	Very high	1 Å²	1	76 Å²	76	1%	0.006	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-74.2	135	177.6	32.6	-33.9	0	0	0	110.7	I657 M662 I678 Y686 C687 L699 P713	I657-P684 HydrophobicContact CD1-CB 4.08Å; M662-P684 HydrophobicContact CE-CB 4.32Å; M662-P684 HydrophobicContact CE-CG 4.35Å; M662-P684 HydrophobicContact SD-CB 4.11Å; M662-P684 HydrophobicContact SD-CG 3.79Å; I678-P684 HydrophobicContact CD1-CB 4.23Å; P684-Y686 HydrophobicContact CB-CD1 3.83Å; P684-Y686 HydrophobicContact CB-CE1 3.8Å; P684-Y686 HydrophobicContact CG-CD1 4.33Å; P684-Y686 HydrophobicContact CG-CE1 3.96Å; P684-Y686 PolarHBondContact O-N 3.03Å; P684-Y686 VanDerWaalsContact O-N 3.17Å; P684-C687 HydrophobicContact CG-CB 4.13Å; P684-C687 PolarHBondContact O-N 2.99Å; P684-L699 HydrophobicContact CG-CD1 4.49Å; P684-P713 HydrophobicContact CG-CG 4.09Å
685	R	96.9	Very high	94.8	Very high	139 Å²	139	78.4 Å²	78.4	53%	0.525	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.5	-173.2	-70.6	175	177.8	-85	11.6	115.2	R675 T676 F677 I678 T679 C687	R675-R685 VanDerWaalsContact O-CZ 3.31Å; R675-R685 PolarHBondContact O-NE 2.86Å; R675-R685 PolarHBondContact O-NH2 3.47Å; T676-R685 WeakPolarHBondContact O-CD 3.35Å; F677-R685 WeakPolarHBondContact O-CB 3.5Å; F677-R685 WeakPolarHBondContact O-CG 3.49Å; F677-R685 PolarHBondContact O-N 3.17Å; I678-R685 PolarHBondContact O-NE 2.88Å; T679-R685 HydrophobicContact CG2-CG 3.68Å; R685-C687 VanDerWaalsContact C-N 3.32Å
686	Y	96.8	Very high	94.6	Very high	43 Å²	43	70.2 Å²	70.2	17%	0.169	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.8	171.3	85.6	-92	0	0	0	112.1	A654 I657 P684 A702 R710 G711	A654-Y686 HydrophobicContact CB-CD1 3.53Å; A654-Y686 HydrophobicContact CB-CD2 3.86Å; A654-Y686 HydrophobicContact CB-CE1 3.88Å; A654-Y686 HydrophobicContact CB-CE2 4.17Å; A654-Y686 HydrophobicContact CB-CG 3.54Å; I657-Y686 HydrophobicContact CB-CE1 4.06Å; I657-Y686 HydrophobicContact CD1-CE1 4.42Å; I657-Y686 HydrophobicContact CG2-CE1 3.92Å; P684-Y686 HydrophobicContact CB-CD1 3.83Å; P684-Y686 HydrophobicContact CB-CE1 3.8Å; P684-Y686 HydrophobicContact CG-CD1 4.33Å; P684-Y686 HydrophobicContact CG-CE1 3.96Å; P684-Y686 PolarHBondContact O-N 3.03Å; P684-Y686 VanDerWaalsContact O-N 3.17Å; Y686-A702 WeakPolarHBondContact O-CB 3.31Å; Y686-R710 HydrophobicContact CD2-CB 3.94Å; Y686-R710 HydrophobicContact CE2-CB 3.73Å; Y686-G711 VanDerWaalsContact CE2-O 3.25Å; Y686-G711 WeakPolarHBondContact CE2-O 3.48Å; Y686-G711 PolarHBondContact OH-O 3.42Å
687	C	97.1	Very high	94.4	Very high	15 Å²	15	69.2 Å²	69.2	10%	0.101	41%	0.411	C	S	.	.	S	Bend	trans	-93.8	146.7	175.2	-74.1	0	0	0	0	111.8	P684 R685 L699 A700	P684-C687 HydrophobicContact CG-CB 4.13Å; P684-C687 PolarHBondContact O-N 2.99Å; R685-C687 VanDerWaalsContact C-N 3.32Å; C687-L699 HydrophobicContact CB-CB 4.29Å; C687-L699 HydrophobicContact CB-CD2 4.37Å; C687-A700 WeakPolarHBondContact CA-O 3.42Å; C687-A700 VanDerWaalsContact CB-O 3.23Å; C687-A700 WeakPolarHBondContact CB-O 3.22Å; C687-A700 PolarHBondContact SG-O 2.94Å; C687-A700 VanDerWaalsContact SG-O 3.41Å
688	T	95	Very high	94.3	Very high	86 Å²	86	72.2 Å²	72.2	53%	0.528	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.4	160.5	-58.5	0	0	0	0	108.1	A700	T688-A700 PolarHBondContact N-O 3.33Å; T688-A700 VanDerWaalsContact N-O 3.08Å; T688-A700 PolarHBondContact O-N 2.9Å
689	A	94.4	Very high	94.3	Very high	48 Å²	48	73.7 Å²	73.7	40%	0.397	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116	176.2	0	0	0	0	0	110	Y683 V697 L699	Y683-A689 HydrophobicContact CD2-CB 3.86Å; Y683-A689 HydrophobicContact CE2-CB 4.33Å; Y683-A689 HydrophobicContact CG-CB 4.3Å; A689-V697 HydrophobicContact CB-CG1 4Å; A689-L699 HydrophobicContact CB-CD2 3.65Å
690	T	94.4	Very high	94.3	Very high	70 Å²	70	73.9 Å²	73.9	43%	0.429	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.2	179.1	-57.4	0	0	0	0	109.3	M692 V697 V698	T690-M692 HydrophobicContact CG2-SD 4.43Å; T690-V697 WeakPolarHBondContact O-CA 3.4Å; T690-V698 PolarHBondContact N-O 3.17Å; T690-V698 PolarHBondContact O-N 3.15Å
691	S	94	Very high	94.4	Very high	87 Å²	87	69 Å²	69	61%	0.608	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	131.2	168.4	-68.5	0	0	0	0	110	S696	S691-S696 WeakPolarHBondContact CA-O 3.24Å
692	M	93.8	Very high	94.5	Very high	84 Å²	84	63 Å²	63	41%	0.414	39%	0.393	S	S	.	.			trans	-94.4	162.8	179.7	-58.2	-64.8	-79.5	0	0	110.4	T690 D694 G695 S696 V698	T690-M692 HydrophobicContact CG2-SD 4.43Å; M692-D694 VanDerWaalsContact CB-OD1 3.24Å; M692-D694 WeakPolarHBondContact CB-OD1 3.46Å; M692-D694 PolarHBondContact O-N 2.86Å; M692-G695 PolarHBondContact O-N 3.41Å; M692-S696 WeakPolarHBondContact CB-OG 3.3Å; M692-S696 PolarHBondContact N-O 3.36Å; M692-V698 HydrophobicContact CE-CG2 4.46Å; M692-V698 HydrophobicContact CG-CG2 3.71Å; M692-V698 HydrophobicContact SD-CG2 3.96Å
693	P	93.8	Very high	94.6	Very high	140 Å²	140	69.4 Å²	69.4	91%	0.909	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	-178.5	-24.9	35.7	0	0	0	115.2	G695	P693-G695 VanDerWaalsContact C-N 3.26Å
694	D	93.5	Very high	94.6	Very high	126 Å²	126	66.7 Å²	66.7	67%	0.674	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	1.7	174.6	65.2	-2.5	0	0	0	113.6	M692 S696	M692-D694 VanDerWaalsContact CB-OD1 3.24Å; M692-D694 WeakPolarHBondContact CB-OD1 3.46Å; M692-D694 PolarHBondContact O-N 2.86Å; D694-S696 VanDerWaalsContact C-N 3.28Å; D694-S696 PolarHBondContact O-N 3.34Å; D694-S696 WeakPolarHBondContact OD1-CB 3.42Å; D694-S696 PolarHBondContact OD1-N 2.64Å; D694-S696 PolarHBondContact OD1-OG 3.38Å; D694-S696 PolarHBondContact OD2-OG 2.9Å
695	G	89.4	Confident	94.5	Very high	62 Å²	62	74.9 Å²	74.9	64%	0.639	43%	0.433	S	S	*	.	S	Bend	trans	82.4	-4	-175.9	0	0	0	0	0	114.8	M692 P693	M692-G695 PolarHBondContact O-N 3.41Å; P693-G695 VanDerWaalsContact C-N 3.26Å
696	S	92.3	Very high	94.4	Very high	49 Å²	49	75.8 Å²	75.8	34%	0.343	44%	0.436	S	S	.	.			trans	-68.9	162.1	173.1	73.9	0	0	0	0	111.6	S691 M692 D694	S691-S696 WeakPolarHBondContact CA-O 3.24Å; M692-S696 WeakPolarHBondContact CB-OG 3.3Å; M692-S696 PolarHBondContact N-O 3.36Å; D694-S696 VanDerWaalsContact C-N 3.28Å; D694-S696 PolarHBondContact O-N 3.34Å; D694-S696 WeakPolarHBondContact OD1-CB 3.42Å; D694-S696 PolarHBondContact OD1-N 2.64Å; D694-S696 PolarHBondContact OD1-OG 3.38Å; D694-S696 PolarHBondContact OD2-OG 2.9Å
697	V	93.4	Very high	94.3	Very high	50 Å²	50	75.3 Å²	75.3	30%	0.303	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116	177.4	178.5	0	0	0	0	109.9	Y683 A689 T690 L699	Y683-V697 HydrophobicContact CE1-CG1 4.23Å; Y683-V697 HydrophobicContact CE2-CG1 4.11Å; A689-V697 HydrophobicContact CB-CG1 4Å; T690-V697 WeakPolarHBondContact O-CA 3.4Å; V697-L699 HydrophobicContact CG1-CD2 4.48Å
698	V	94.2	Very high	94.3	Very high	73 Å²	73	79.5 Å²	79.5	44%	0.442	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.6	175.1	177.8	0	0	0	0	108.9	T690 M692	T690-V698 PolarHBondContact N-O 3.17Å; T690-V698 PolarHBondContact O-N 3.15Å; M692-V698 HydrophobicContact CE-CG2 4.46Å; M692-V698 HydrophobicContact CG-CG2 3.71Å; M692-V698 HydrophobicContact SD-CG2 3.96Å
699	L	96.3	Very high	94.3	Very high	38 Å²	38	80.3 Å²	80.3	20%	0.199	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.4	171.2	-62.7	-177	0	0	0	109.7	Y683 P684 C687 A689 V697 P712 P713	Y683-L699 HydrophobicContact CD1-CD1 4.44Å; Y683-L699 HydrophobicContact CD1-CD2 3.96Å; Y683-L699 HydrophobicContact CG-CD2 3.99Å; P684-L699 HydrophobicContact CG-CD1 4.49Å; C687-L699 HydrophobicContact CB-CB 4.29Å; C687-L699 HydrophobicContact CB-CD2 4.37Å; A689-L699 HydrophobicContact CB-CD2 3.65Å; V697-L699 HydrophobicContact CG1-CD2 4.48Å; L699-P712 HydrophobicContact CB-CB 4.16Å; L699-P712 WeakPolarHBondContact O-CB 3.23Å; L699-P713 HydrophobicContact CD1-CG 3.99Å
700	A	95.6	Very high	94.5	Very high	44 Å²	44	78.8 Å²	78.8	36%	0.364	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.5	168.1	0	0	0	0	0	110.4	C687 T688	C687-A700 WeakPolarHBondContact CA-O 3.42Å; C687-A700 VanDerWaalsContact CB-O 3.23Å; C687-A700 WeakPolarHBondContact CB-O 3.22Å; C687-A700 PolarHBondContact SG-O 2.94Å; C687-A700 VanDerWaalsContact SG-O 3.41Å; T688-A700 PolarHBondContact N-O 3.33Å; T688-A700 VanDerWaalsContact N-O 3.08Å; T688-A700 PolarHBondContact O-N 2.9Å
701	G	94.1	Very high	94.6	Very high	26 Å²	26	76.1 Å²	76.1	27%	0.268	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-67.4	171.5	169.3	0	0	0	0	0	113	R710	G701-R710 CarbonylContact C-O 3.33Å; G701-R710 WeakPolarHBondContact CA-O 3.21Å
702	A	94.3	Very high	94.8	Very high	33 Å²	33	74 Å²	74	27%	0.273	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	175.2	177.4	0	0	0	0	0	112.2	Y686 M709 R710	Y686-A702 WeakPolarHBondContact O-CB 3.31Å; A702-M709 CarbonylContact O-C 3.59Å; A702-R710 PolarHBondContact N-O 2.89Å; A702-R710 PolarHBondContact O-N 3.5Å
703	R	95.6	Very high	95	Very high	171 Å²	171	71.5 Å²	71.5	65%	0.645	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.1	178.6	-66.4	-179	-177.6	-89.1	3.2	111.8	G707 K708 M709	R703-G707 WeakPolarHBondContact CD-O 3.45Å; R703-G707 PolarHBondContact NH1-O 3.43Å; R703-K708 CarbonylContact C-O 3.4Å; R703-K708 WeakPolarHBondContact CA-O 3.44Å; R703-M709 HydrophobicContact CG-CE 4.1Å; R703-M709 HydrophobicContact CG-SD 4.08Å
704	S	95.4	Very high	95.2	Very high	15 Å²	15	67.8 Å²	67.8	11%	0.105	39%	0.386	C	S	.	.			trans	-64	171.6	167.6	80.3	0	0	0	0	111.4	E647 D651 R706 G707 K708	E647-S704 PolarHBondContact OE1-OG 3.46Å; E647-S704 WeakPolarHBondContact OE2-CB 3.47Å; E647-S704 PolarHBondContact OE2-OG 2.85Å; D651-S704 VanDerWaalsContact OD1-CB 3.29Å; D651-S704 WeakPolarHBondContact OD1-CB 3.12Å; S704-R706 PolarHBondContact O-N 3.36Å; S704-R706 PolarHBondContact OG-N 3.07Å; S704-G707 WeakPolarHBondContact O-CA 3.36Å; S704-G707 PolarHBondContact O-N 3.18Å; S704-K708 PolarHBondContact N-O 3.23Å; S704-K708 WeakPolarHBondContact OG-CB 3.23Å; S704-K708 PolarHBondContact OG-N 2.95Å; S704-K708 VanDerWaalsContact OG-N 3.13Å
705	K	94.1	Very high	95.5	Very high	173 Å²	173	64.8 Å²	64.8	75%	0.752	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.7	178	-71.2	171.8	178.2	165.4	0	112.7	E647 D648	E647-K705 PolarHBondContact OE2-N 3.22Å; D648-K705 WeakPolarHBondContact OD2-CE 3.42Å; D648-K705 IonicContact OD2-NZ 2.9Å; D648-K705 PolarHBondContact OD2-NZ 3.39Å
706	R	95.1	Very high	95.9	Very high	158 Å²	158	64.4 Å²	64.4	60%	0.596	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	23.4	170.3	-53.9	180	-60	-163.4	-5.6	113.5	E647 S704 K708	E647-R706 HydrophobicContact CG-CG 4.48Å; E647-R706 VanDerWaalsContact CG-CZ 3.43Å; E647-R706 WeakPolarHBondContact OE1-CB 3.39Å; E647-R706 IonicContact OE1-CZ 3.49Å; E647-R706 IonicContact OE1-NE 3.53Å; E647-R706 PolarHBondContact OE1-NE 2.91Å; E647-R706 IonicContact OE1-NH2 2.8Å; E647-R706 PolarHBondContact OE1-NH2 2.93Å; E647-R706 PolarHBondContact OE2-N 2.71Å; E647-R706 IonicContact OE2-NE 2.66Å; S704-R706 PolarHBondContact O-N 3.36Å; S704-R706 PolarHBondContact OG-N 3.07Å; R706-K708 VanDerWaalsContact C-N 3.29Å; R706-K708 PolarHBondContact O-N 2.96Å
707	G	95.2	Very high	96.1	Very high	33 Å²	33	64.4 Å²	64.4	34%	0.34	35%	0.353	S	S	.	.	S	Bend	trans	76.2	1.7	171.8	0	0	0	0	0	116.5	R703 S704	R703-G707 WeakPolarHBondContact CD-O 3.45Å; R703-G707 PolarHBondContact NH1-O 3.43Å; S704-G707 WeakPolarHBondContact O-CA 3.36Å; S704-G707 PolarHBondContact O-N 3.18Å
708	K	95.8	Very high	96.3	Very high	104 Å²	104	63.8 Å²	63.8	45%	0.452	35%	0.346	S	S	.	.			trans	-74.6	131	-178.1	-60.9	-172.7	174.8	-170.2	0	110.4	R703 S704 R706	R703-K708 CarbonylContact C-O 3.4Å; R703-K708 WeakPolarHBondContact CA-O 3.44Å; S704-K708 PolarHBondContact N-O 3.23Å; S704-K708 WeakPolarHBondContact OG-CB 3.23Å; S704-K708 PolarHBondContact OG-N 2.95Å; S704-K708 VanDerWaalsContact OG-N 3.13Å; R706-K708 VanDerWaalsContact C-N 3.29Å; R706-K708 PolarHBondContact O-N 2.96Å
709	M	96.4	Very high	96.5	Very high	103 Å²	103	63.3 Å²	63.3	51%	0.507	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	148.4	178.1	-162.8	61.2	80	0	0	111.7	A702 R703	A702-M709 CarbonylContact O-C 3.59Å; R703-M709 HydrophobicContact CG-CE 4.1Å; R703-M709 HydrophobicContact CG-SD 4.08Å
710	R	97.4	Very high	96.5	Very high	16 Å²	16	66.2 Å²	66.2	6%	0.06	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.5	165.5	-55.3	-63.5	173.5	-119.4	5.4	106.9	D651 A654 E658 Y686 G701 A702	D651-R710 VanDerWaalsContact CG-NH2 3.33Å; D651-R710 IonicContact OD1-CZ 2.72Å; D651-R710 VanDerWaalsContact OD1-CZ 3.3Å; D651-R710 IonicContact OD1-NE 3.61Å; D651-R710 PolarHBondContact OD1-NE 3.45Å; D651-R710 IonicContact OD1-NH2 2.86Å; D651-R710 PolarHBondContact OD1-NH2 3.15Å; D651-R710 IonicContact OD2-CZ 3.44Å; D651-R710 IonicContact OD2-NE 3.58Å; D651-R710 IonicContact OD2-NH2 3.85Å; D651-R710 PolarHBondContact OD2-NH2 3.24Å; A654-R710 HydrophobicContact CB-CG 4.28Å; E658-R710 WeakPolarHBondContact OE1-CA 3.24Å; Y686-R710 HydrophobicContact CD2-CB 3.94Å; Y686-R710 HydrophobicContact CE2-CB 3.73Å; G701-R710 CarbonylContact C-O 3.33Å; G701-R710 WeakPolarHBondContact CA-O 3.21Å; A702-R710 PolarHBondContact N-O 2.89Å; A702-R710 PolarHBondContact O-N 3.5Å
711	G	97.7	Very high	96.6	Very high	13 Å²	13	64.4 Å²	64.4	13%	0.134	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-71.9	171.3	175.1	0	0	0	0	0	113	E658 Y686 S715	E658-G711 PolarHBondContact OE1-N 2.94Å; Y686-G711 VanDerWaalsContact CE2-O 3.25Å; Y686-G711 WeakPolarHBondContact CE2-O 3.48Å; Y686-G711 PolarHBondContact OH-O 3.42Å; G711-S715 VanDerWaalsContact CA-OG 3.3Å; G711-S715 WeakPolarHBondContact CA-OG 3.37Å
712	P	98.1	Very high	96.8	Very high	43 Å²	43	63.2 Å²	63.2	28%	0.279	34%	0.338	S	S	.	.	S	Bend	trans	-64.9	173.3	175.8	27.9	-33.5	0	0	0	112.6	L699 A714 S715	L699-P712 HydrophobicContact CB-CB 4.16Å; L699-P712 WeakPolarHBondContact O-CB 3.23Å; P712-A714 PolarHBondContact O-N 2.95Å; P712-S715 WeakPolarHBondContact O-CB 3.32Å; P712-S715 PolarHBondContact O-N 3.38Å; P712-S715 VanDerWaalsContact O-N 3.13Å; P712-S715 PolarHBondContact O-OG 2.66Å
713	P	98.3	Very high	96.9	Very high	32 Å²	32	66.4 Å²	66.4	21%	0.208	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	133.5	-178.1	-27.4	34.4	0	0	0	113.6	I657 M662 P684 L699 S715	I657-P713 HydrophobicContact CG2-CB 3.73Å; I657-P713 HydrophobicContact CG2-CG 3.64Å; I657-P713 WeakPolarHBondContact O-CA 3.35Å; M662-P713 HydrophobicContact CG-CB 3.96Å; M662-P713 HydrophobicContact CG-CG 3.94Å; M662-P713 HydrophobicContact SD-CB 4.18Å; M662-P713 HydrophobicContact SD-CG 3.65Å; P684-P713 HydrophobicContact CG-CG 4.09Å; L699-P713 HydrophobicContact CD1-CG 3.99Å; P713-S715 PolarHBondContact O-N 2.97Å; P713-S715 VanDerWaalsContact O-N 3.17Å
714	A	97.9	Very high	96.8	Very high	62 Å²	62	64.5 Å²	64.5	51%	0.512	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	12.7	-178.2	0	0	0	0	0	116.7	I657 E658 P712 R716	I657-A714 PolarHBondContact O-N 3.09Å; E658-A714 CarbonylContact O-C 3.53Å; E658-A714 VanDerWaalsContact O-CA 3.23Å; E658-A714 WeakPolarHBondContact O-CA 3.31Å; E658-A714 PolarHBondContact O-N 3.36Å; P712-A714 PolarHBondContact O-N 2.95Å; A714-R716 VanDerWaalsContact C-N 3.3Å; A714-R716 PolarHBondContact O-N 3.39Å
715	S	98.1	Very high	96.8	Very high	63 Å²	63	67 Å²	67	44%	0.441	36%	0.359	S	S	.	.			trans	-71.3	-19	-179.1	70.7	0	0	0	0	114.7	E658 G711 P712 P713	E658-S715 PolarHBondContact O-N 3.25Å; E658-S715 VanDerWaalsContact O-N 3.09Å; G711-S715 VanDerWaalsContact CA-OG 3.3Å; G711-S715 WeakPolarHBondContact CA-OG 3.37Å; P712-S715 WeakPolarHBondContact O-CB 3.32Å; P712-S715 PolarHBondContact O-N 3.38Å; P712-S715 VanDerWaalsContact O-N 3.13Å; P712-S715 PolarHBondContact O-OG 2.66Å; P713-S715 PolarHBondContact O-N 2.97Å; P713-S715 VanDerWaalsContact O-N 3.17Å
716	R	97.8	Very high	96.7	Very high	54 Å²	54	60 Å²	60	20%	0.204	34%	0.335	C	S	.	.	S	Bend	trans	-94	107.9	179.3	179.9	177	175.4	-149.4	-3.6	110.1	L643 E658 L659 A714 A721	L643-R716 PolarHBondContact O-NH1 3.04Å; L643-R716 PolarHBondContact O-NH2 3.05Å; E658-R716 HydrophobicContact CG-CB 3.74Å; E658-R716 PolarHBondContact O-N 3.5Å; E658-R716 WeakPolarHBondContact OE2-CD 3.28Å; L659-R716 HydrophobicContact CD1-CG 4.42Å; L659-R716 WeakPolarHBondContact CD1-O 3.5Å; A714-R716 VanDerWaalsContact C-N 3.3Å; A714-R716 PolarHBondContact O-N 3.39Å; R716-A721 HydrophobicContact CG-CB 4.37Å
717	S	97.9	Very high	96.7	Very high	48 Å²	48	54.3 Å²	54.3	34%	0.336	32%	0.317	S	S	.	.			trans	-65.1	152.3	178.6	71.2	0	0	0	0	112.8	S719 T720 A721	S717-S719 VanDerWaalsContact C-N 3.3Å; S717-S719 PolarHBondContact O-N 3.5Å; S717-S719 PolarHBondContact OG-OG 3.48Å; S717-S719 VanDerWaalsContact OG-OG 3.09Å; S717-T720 PolarHBondContact O-N 2.86Å; S717-T720 VanDerWaalsContact OG-CB 3.32Å; S717-T720 WeakPolarHBondContact OG-CB 3.23Å; S717-T720 PolarHBondContact OG-N 3.44Å; S717-T720 PolarHBondContact OG-OG1 2.88Å; S717-A721 VanDerWaalsContact O-CB 3.29Å; S717-A721 WeakPolarHBondContact O-CB 3.39Å; S717-A721 PolarHBondContact O-N 3.39Å
718	W	97.9	Very high	96.7	Very high	38 Å²	38	60.5 Å²	60.5	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-32.6	174.9	-75.7	86.6	0	0	0	113.1	L659 L660 A721 L722 V731 L734 K735 L738	L659-W718 HydrophobicContact CD1-CD2 4.31Å; L659-W718 HydrophobicContact CD2-CH2 4.42Å; L659-W718 HydrophobicContact CG-CZ2 4.4Å; L660-W718 HydrophobicContact CD2-CH2 4.11Å; L660-W718 HydrophobicContact CD2-CZ2 3.48Å; L660-W718 VanDerWaalsContact CD2-CZ2 3.48Å; W718-A721 PolarHBondContact O-N 3.18Å; W718-L722 HydrophobicContact CE3-CD1 4.3Å; W718-L722 WeakPolarHBondContact O-CB 3.47Å; W718-L722 WeakPolarHBondContact O-CG 3.33Å; W718-L722 PolarHBondContact O-N 2.94Å; W718-V731 HydrophobicContact CB-CG1 4.16Å; W718-V731 HydrophobicContact CD2-CG1 4.2Å; W718-V731 HydrophobicContact CE3-CG1 4.38Å; W718-V731 HydrophobicContact CG-CG1 4.11Å; W718-L734 HydrophobicContact CH2-CB 4.27Å; W718-L734 HydrophobicContact CZ3-CB 3.83Å; W718-L734 HydrophobicContact CZ3-CD1 4.14Å; W718-K735 HydrophobicContact CD2-CG 4.46Å; W718-K735 HydrophobicContact CH2-CG 4.06Å; W718-K735 HydrophobicContact CZ2-CG 3.54Å; W718-L738 HydrophobicContact CH2-CD1 4Å; W718-L738 HydrophobicContact CZ3-CD1 4.48Å
719	S	97.1	Very high	96.8	Very high	63 Å²	63	56.9 Å²	56.9	44%	0.441	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-50.6	174.9	45.8	0	0	0	0	111.1	S717 A721 L722 K723 N724	S717-S719 VanDerWaalsContact C-N 3.3Å; S717-S719 PolarHBondContact O-N 3.5Å; S717-S719 PolarHBondContact OG-OG 3.48Å; S717-S719 VanDerWaalsContact OG-OG 3.09Å; S719-A721 PolarHBondContact O-N 3.42Å; S719-L722 CarbonylContact O-C 3.57Å; S719-L722 PolarHBondContact O-N 3.38Å; S719-K723 PolarHBondContact O-N 3.39Å; S719-N724 WeakPolarHBondContact CB-OD1 3.49Å; S719-N724 PolarHBondContact O-N 3.34Å; S719-N724 PolarHBondContact O-OD1 3.06Å
720	T	97	Very high	96.9	Very high	98 Å²	98	52 Å²	52	60%	0.601	30%	0.298	S	S	*	.	H	α-helix	trans	-63.8	-40.6	173.8	-59.1	0	0	0	0	112	S717 L722 K723	S717-T720 PolarHBondContact O-N 2.86Å; S717-T720 VanDerWaalsContact OG-CB 3.32Å; S717-T720 WeakPolarHBondContact OG-CB 3.23Å; S717-T720 PolarHBondContact OG-N 3.44Å; S717-T720 PolarHBondContact OG-OG1 2.88Å; T720-L722 VanDerWaalsContact C-N 3.3Å; T720-L722 PolarHBondContact O-N 3.35Å; T720-K723 PolarHBondContact O-N 3.49Å
721	A	97.6	Very high	97	Very high	6 Å²	6	52.3 Å²	52.3	5%	0.05	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-33.1	178.8	0	0	0	0	0	113.3	L643 L659 R716 S717 W718 S719	L643-A721 HydrophobicContact CD1-CB 4.01Å; L659-A721 HydrophobicContact CD1-CB 3.72Å; R716-A721 HydrophobicContact CG-CB 4.37Å; S717-A721 VanDerWaalsContact O-CB 3.29Å; S717-A721 WeakPolarHBondContact O-CB 3.39Å; S717-A721 PolarHBondContact O-N 3.39Å; W718-A721 PolarHBondContact O-N 3.18Å; S719-A721 PolarHBondContact O-N 3.42Å
722	L	98.1	Very high	97	Very high	2 Å²	2	54 Å²	54	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	14.9	179.3	-58.8	177.9	0	0	0	113.8	A635 T639 L643 W718 S719 T720 N724 M725 F730 V731 L734	A635-L722 HydrophobicContact CB-CD2 3.85Å; T639-L722 HydrophobicContact CG2-CB 4.42Å; T639-L722 HydrophobicContact CG2-CD2 4.3Å; L643-L722 HydrophobicContact CD1-CD2 4.35Å; W718-L722 HydrophobicContact CE3-CD1 4.3Å; W718-L722 WeakPolarHBondContact O-CB 3.47Å; W718-L722 WeakPolarHBondContact O-CG 3.33Å; W718-L722 PolarHBondContact O-N 2.94Å; S719-L722 CarbonylContact O-C 3.57Å; S719-L722 PolarHBondContact O-N 3.38Å; T720-L722 VanDerWaalsContact C-N 3.3Å; T720-L722 PolarHBondContact O-N 3.35Å; L722-N724 PolarHBondContact O-N 3.03Å; L722-N724 VanDerWaalsContact O-N 3.12Å; L722-M725 WeakPolarHBondContact O-CB 3.33Å; L722-M725 PolarHBondContact O-N 3.02Å; L722-F730 HydrophobicContact CD1-CD1 4.22Å; L722-F730 HydrophobicContact CD1-CE1 4.25Å; L722-F730 HydrophobicContact CD2-CE1 4.47Å; L722-V731 HydrophobicContact CD1-CG2 3.83Å; L722-L734 HydrophobicContact CD1-CD1 3.97Å; L722-L734 HydrophobicContact CD2-CD1 3.86Å
723	K	96.3	Very high	97	Very high	99 Å²	99	51.9 Å²	51.9	43%	0.43	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	30.9	-178.3	-54.1	177.4	177.1	177.9	0	114.5	T639 S719 T720 M725	T639-K723 HydrophobicContact CG2-CG 4.39Å; T639-K723 WeakPolarHBondContact O-CE 3.28Å; T639-K723 PolarHBondContact O-NZ 3.03Å; S719-K723 PolarHBondContact O-N 3.39Å; T720-K723 PolarHBondContact O-N 3.49Å; K723-M725 HydrophobicContact CB-CG 4.07Å; K723-M725 HydrophobicContact CB-SD 4.04Å; K723-M725 HydrophobicContact CD-SD 4.15Å; K723-M725 PolarHBondContact O-N 3.39Å
724	N	94.4	Very high	97.1	Very high	132 Å²	132	50.4 Å²	50.4	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	14.6	-171.4	-50.8	-33.6	0	0	0	115.3	S719 L722	S719-N724 WeakPolarHBondContact CB-OD1 3.49Å; S719-N724 PolarHBondContact O-N 3.34Å; S719-N724 PolarHBondContact O-OD1 3.06Å; L722-N724 PolarHBondContact O-N 3.03Å; L722-N724 VanDerWaalsContact O-N 3.12Å
725	M	94.6	Very high	97.1	Very high	68 Å²	68	52.4 Å²	52.4	34%	0.335	28%	0.282	S	S	.	.			trans	-88.2	-10.2	-176.5	-57.1	173.4	72.5	0	0	114	L544 L638 L722 K723	L544-M725 WeakPolarHBondContact CD1-O 3.41Å; L638-M725 HydrophobicContact CD1-CB 3.94Å; L638-M725 HydrophobicContact CD1-CE 4.45Å; L638-M725 HydrophobicContact CD2-CB 4.05Å; L638-M725 HydrophobicContact CG-CB 3.9Å; L638-M725 WeakPolarHBondContact O-CE 3.23Å; L722-M725 WeakPolarHBondContact O-CB 3.33Å; L722-M725 PolarHBondContact O-N 3.02Å; K723-M725 HydrophobicContact CB-CG 4.07Å; K723-M725 HydrophobicContact CB-SD 4.04Å; K723-M725 HydrophobicContact CD-SD 4.15Å; K723-M725 PolarHBondContact O-N 3.39Å
726	G	91.4	Very high	97.1	Very high	25 Å²	25	55 Å²	55	26%	0.258	28%	0.282	S	S	.	.			trans	-97.1	128.9	-173.6	0	0	0	0	0	113.3
727	D	94.8	Very high	97.2	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	27%	0.272	C	S	.	.			trans	-76.9	159.1	171.6	83.8	66.7	0	0	0	112.3	L544 R548 L729 F730 V731 R759	L544-D727 HydrophobicContact CD1-CB 4.02Å; R548-D727 IonicContact NH2-OD2 3.98Å; D727-L729 VanDerWaalsContact C-N 3.29Å; D727-L729 PolarHBondContact O-N 3.34Å; D727-L729 WeakPolarHBondContact OD1-CB 3.42Å; D727-L729 PolarHBondContact OD1-N 3.33Å; D727-F730 WeakPolarHBondContact O-CA 3.32Å; D727-F730 WeakPolarHBondContact O-CB 3.29Å; D727-F730 PolarHBondContact O-N 2.86Å; D727-F730 PolarHBondContact OD1-N 3.04Å; D727-V731 PolarHBondContact O-N 3.22Å; D727-R759 IonicContact OD1-CZ 3.73Å; D727-R759 IonicContact OD1-NH1 2.8Å; D727-R759 PolarHBondContact OD1-NH1 3.49Å; D727-R759 IonicContact OD1-NH2 3.77Å; D727-R759 IonicContact OD2-NH1 2.94Å; D727-R759 PolarHBondContact OD2-NH1 3.1Å
728	E	96.8	Very high	97.2	Very high	163 Å²	163	50.4 Å²	50.4	76%	0.762	26%	0.257	S	S	*	.	H	α-helix	trans	-51.7	-42.7	-176.4	-171.2	-164.1	168.9	0	0	113.5	F730 V731 D732	E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 3.37Å; E728-V731 PolarHBondContact O-N 2.88Å; E728-D732 PolarHBondContact O-N 3.12Å
729	L	97.5	Very high	97.2	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-73.4	-26.7	-179.8	-58.1	-171.7	0	0	0	112	D727 F733 K755 W756 R759	D727-L729 VanDerWaalsContact C-N 3.29Å; D727-L729 PolarHBondContact O-N 3.34Å; D727-L729 WeakPolarHBondContact OD1-CB 3.42Å; D727-L729 PolarHBondContact OD1-N 3.33Å; L729-F733 WeakPolarHBondContact O-CB 3.37Å; L729-F733 PolarHBondContact O-N 2.85Å; L729-K755 HydrophobicContact CD1-CB 3.86Å; L729-K755 HydrophobicContact CD2-CB 4.37Å; L729-W756 HydrophobicContact CB-CB 3.86Å; L729-W756 HydrophobicContact CB-CG 4.43Å; L729-W756 WeakPolarHBondContact O-CB 3.38Å; L729-R759 HydrophobicContact CD1-CG 4.43Å; L729-R759 VanDerWaalsContact CD1-CZ 3.44Å
730	F	98.4	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.8	-40	170.2	-176.1	-115.5	0	0	0	111.3	L544 V547 L634 L638 L722 D727 E728 F733 L734 W756	L544-F730 HydrophobicContact CD2-CB 4.13Å; L544-F730 HydrophobicContact CD2-CD1 3.97Å; L544-F730 HydrophobicContact CD2-CD2 4.32Å; L544-F730 HydrophobicContact CD2-CE1 4.47Å; L544-F730 HydrophobicContact CD2-CG 3.86Å; V547-F730 HydrophobicContact CG1-CE2 4.12Å; V547-F730 HydrophobicContact CG1-CZ 4.29Å; L634-F730 HydrophobicContact CB-CE2 4.03Å; L634-F730 HydrophobicContact CB-CZ 4.05Å; L638-F730 HydrophobicContact CB-CE1 4.27Å; L638-F730 HydrophobicContact CB-CZ 4.41Å; L638-F730 HydrophobicContact CD2-CD1 3.7Å; L638-F730 HydrophobicContact CD2-CE1 3.31Å; L638-F730 HydrophobicContact CD2-CZ 4.18Å; L638-F730 HydrophobicContact CG-CE1 4.41Å; L722-F730 HydrophobicContact CD1-CD1 4.22Å; L722-F730 HydrophobicContact CD1-CE1 4.25Å; L722-F730 HydrophobicContact CD2-CE1 4.47Å; D727-F730 WeakPolarHBondContact O-CA 3.32Å; D727-F730 WeakPolarHBondContact O-CB 3.29Å; D727-F730 PolarHBondContact O-N 2.86Å; D727-F730 PolarHBondContact OD1-N 3.04Å; E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 3.37Å; F730-F733 PolarHBondContact O-N 3.29Å; F730-L734 HydrophobicContact CD1-CD1 4.01Å; F730-L734 HydrophobicContact CD1-CG 4.31Å; F730-L734 HydrophobicContact CD2-CG 4.42Å; F730-L734 HydrophobicContact CE1-CD1 3.38Å; F730-L734 HydrophobicContact CE1-CD2 4.48Å; F730-L734 HydrophobicContact CE1-CG 3.89Å; F730-L734 HydrophobicContact CE2-CD1 4.4Å; F730-L734 HydrophobicContact CE2-CD2 4.11Å; F730-L734 HydrophobicContact CE2-CG 4.04Å; F730-L734 HydrophobicContact CZ-CD1 3.63Å; F730-L734 HydrophobicContact CZ-CD2 3.9Å; F730-L734 HydrophobicContact CZ-CG 3.77Å; F730-L734 WeakPolarHBondContact O-CB 3.35Å; F730-L734 WeakPolarHBondContact O-CG 3.49Å; F730-L734 PolarHBondContact O-N 2.62Å; F730-W756 HydrophobicContact CB-CG 4.49Å; F730-W756 AromaticContact CD2-CD2 3.97Å; F730-W756 HydrophobicContact CD2-CD2 3.97Å; F730-W756 AromaticContact CD2-CE2 3.43Å; F730-W756 VanDerWaalsContact CD2-CE2 3.43Å; F730-W756 HydrophobicContact CD2-CE3 4.3Å; F730-W756 AromaticContact CD2-CH2 3.75Å; F730-W756 HydrophobicContact CD2-CH2 3.75Å; F730-W756 AromaticContact CD2-CZ2 3.34Å; F730-W756 HydrophobicContact CD2-CZ2 3.34Å; F730-W756 HydrophobicContact CD2-CZ3 4.19Å; F730-W756 AromaticContact CD2-NE1 3.77Å; F730-W756 AromaticContact CE2-CH2 3.75Å; F730-W756 HydrophobicContact CE2-CH2 3.75Å; F730-W756 AromaticContact CE2-CZ2 3.72Å; F730-W756 HydrophobicContact CE2-CZ2 3.72Å; F730-W756 HydrophobicContact CE2-CZ3 4.32Å; F730-W756 HydrophobicContact CG-CZ2 4.34Å
731	V	98.6	Very high	97.2	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-41.6	174.3	175.6	0	0	0	0	111.1	W718 L722 D727 E728 L734 K735	W718-V731 HydrophobicContact CB-CG1 4.16Å; W718-V731 HydrophobicContact CD2-CG1 4.2Å; W718-V731 HydrophobicContact CE3-CG1 4.38Å; W718-V731 HydrophobicContact CG-CG1 4.11Å; L722-V731 HydrophobicContact CD1-CG2 3.83Å; D727-V731 PolarHBondContact O-N 3.22Å; E728-V731 PolarHBondContact O-N 2.88Å; V731-L734 PolarHBondContact O-N 3.35Å; V731-K735 HydrophobicContact CG1-CD 4.1Å; V731-K735 HydrophobicContact CG1-CG 4.46Å; V731-K735 WeakPolarHBondContact O-CB 3.11Å; V731-K735 VanDerWaalsContact O-CG 3.29Å; V731-K735 WeakPolarHBondContact O-CG 3.39Å; V731-K735 PolarHBondContact O-N 2.64Å
732	D	98.6	Very high	97.2	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-47.5	171.8	-174.6	28.7	0	0	0	111.3	E728 L734 K735 R736 H754	E728-D732 PolarHBondContact O-N 3.12Å; D732-L734 PolarHBondContact O-N 3.47Å; D732-K735 PolarHBondContact O-N 2.97Å; D732-R736 VanDerWaalsContact CG-NE 3.29Å; D732-R736 WeakPolarHBondContact O-CB 3.38Å; D732-R736 VanDerWaalsContact O-CG 3.27Å; D732-R736 WeakPolarHBondContact O-CG 3.36Å; D732-R736 PolarHBondContact O-N 2.88Å; D732-R736 IonicContact OD1-CZ 3.76Å; D732-R736 VanDerWaalsContact OD1-CZ 3.28Å; D732-R736 IonicContact OD1-NE 3.29Å; D732-R736 PolarHBondContact OD1-NE 3.38Å; D732-R736 IonicContact OD1-NH2 2.95Å; D732-R736 PolarHBondContact OD1-NH2 2.99Å; D732-R736 IonicContact OD2-CZ 2.76Å; D732-R736 IonicContact OD2-NE 3.49Å; D732-R736 PolarHBondContact OD2-NE 3.14Å; D732-R736 IonicContact OD2-NH2 2.94Å; D732-R736 PolarHBondContact OD2-NH2 3.35Å; D732-H754 IonicContact OD2-CE1 2.9Å; D732-H754 PolarHBondContact OD2-CE1 3.21Å; D732-H754 IonicContact OD2-NE2 3.86Å; D732-H754 PolarHBondContact OD2-NE2 3.43Å
733	F	98.8	Very high	97.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-45.7	176.2	-173.3	-82.6	0	0	0	112.2	L555 L634 L729 F730 R736 C737 M746 A751 H754 W756 L757	L555-F733 HydrophobicContact CD1-CZ 4.17Å; L634-F733 HydrophobicContact CD1-CD1 4.2Å; L634-F733 HydrophobicContact CD1-CE1 3.55Å; L634-F733 HydrophobicContact CD1-CZ 4.4Å; L729-F733 WeakPolarHBondContact O-CB 3.37Å; L729-F733 PolarHBondContact O-N 2.85Å; F730-F733 PolarHBondContact O-N 3.29Å; F733-R736 PolarHBondContact O-N 3.17Å; F733-C737 VanDerWaalsContact CE1-SG 3.5Å; F733-C737 PolarHBondContact O-N 3.34Å; F733-C737 PolarHBondContact O-SG 2.87Å; F733-M746 HydrophobicContact CD1-CE 4.26Å; F733-M746 HydrophobicContact CD2-CE 3.64Å; F733-M746 HydrophobicContact CE1-CE 4.23Å; F733-M746 HydrophobicContact CE2-CE 3.64Å; F733-M746 HydrophobicContact CG-CE 3.97Å; F733-M746 HydrophobicContact CZ-CE 3.93Å; F733-A751 HydrophobicContact CE2-CB 3.75Å; F733-A751 HydrophobicContact CZ-CB 3.91Å; F733-H754 HydrophobicContact CD2-CB 3.87Å; F733-H754 AromaticContact CD2-CG 3.72Å; F733-H754 AromaticContact CD2-ND1 3.57Å; F733-H754 HydrophobicContact CE2-CB 4.19Å; F733-W756 HydrophobicContact CB-CB 4.31Å; F733-W756 HydrophobicContact CB-CD2 4.48Å; F733-W756 HydrophobicContact CB-CE3 4.15Å; F733-W756 AromaticContact CD1-CE3 3.98Å; F733-W756 HydrophobicContact CD1-CE3 3.98Å; F733-W756 HydrophobicContact CD1-CZ3 4.04Å; F733-W756 AromaticContact CD2-CE3 3.7Å; F733-W756 HydrophobicContact CD2-CE3 3.7Å; F733-W756 HydrophobicContact CD2-CZ3 4.38Å; F733-W756 HydrophobicContact CE1-CE3 4.33Å; F733-W756 HydrophobicContact CE1-CZ3 4.09Å; F733-W756 HydrophobicContact CE2-CE3 4.05Å; F733-W756 HydrophobicContact CE2-CZ3 4.4Å; F733-W756 HydrophobicContact CG-CD2 4.45Å; F733-W756 AromaticContact CG-CE3 3.66Å; F733-W756 HydrophobicContact CG-CE3 3.66Å; F733-W756 HydrophobicContact CG-CZ3 4.21Å; F733-W756 HydrophobicContact CZ-CE3 4.36Å; F733-W756 HydrophobicContact CZ-CZ3 4.27Å; F733-L757 HydrophobicContact CE2-CD1 4.19Å; F733-L757 HydrophobicContact CE2-CG 4.25Å
734	L	98.8	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-43.9	178.6	-75	-171.5	0	0	0	112.5	G631 L634 A635 W718 L722 F730 V731 D732 R736 C737 L738	G631-L734 VanDerWaalsContact O-CD2 3.23Å; G631-L734 WeakPolarHBondContact O-CD2 3.33Å; L634-L734 HydrophobicContact CB-CD2 4.14Å; A635-L734 HydrophobicContact CB-CD1 3.92Å; W718-L734 HydrophobicContact CH2-CB 4.27Å; W718-L734 HydrophobicContact CZ3-CB 3.83Å; W718-L734 HydrophobicContact CZ3-CD1 4.14Å; L722-L734 HydrophobicContact CD1-CD1 3.97Å; L722-L734 HydrophobicContact CD2-CD1 3.86Å; F730-L734 HydrophobicContact CD1-CD1 4.01Å; F730-L734 HydrophobicContact CD1-CG 4.31Å; F730-L734 HydrophobicContact CD2-CG 4.42Å; F730-L734 HydrophobicContact CE1-CD1 3.38Å; F730-L734 HydrophobicContact CE1-CD2 4.48Å; F730-L734 HydrophobicContact CE1-CG 3.89Å; F730-L734 HydrophobicContact CE2-CD1 4.4Å; F730-L734 HydrophobicContact CE2-CD2 4.11Å; F730-L734 HydrophobicContact CE2-CG 4.04Å; F730-L734 HydrophobicContact CZ-CD1 3.63Å; F730-L734 HydrophobicContact CZ-CD2 3.9Å; F730-L734 HydrophobicContact CZ-CG 3.77Å; F730-L734 WeakPolarHBondContact O-CB 3.35Å; F730-L734 WeakPolarHBondContact O-CG 3.49Å; F730-L734 PolarHBondContact O-N 2.62Å; V731-L734 PolarHBondContact O-N 3.35Å; D732-L734 PolarHBondContact O-N 3.47Å; L734-R736 VanDerWaalsContact C-N 3.27Å; L734-R736 PolarHBondContact O-N 2.74Å; L734-C737 PolarHBondContact O-N 3.46Å; L734-L738 VanDerWaalsContact O-CB 3.31Å; L734-L738 WeakPolarHBondContact O-CB 3.2Å; L734-L738 WeakPolarHBondContact O-CG 3.27Å; L734-L738 PolarHBondContact O-N 3.39Å
735	K	98.7	Very high	97.3	Very high	105 Å²	105	47.4 Å²	47.4	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-56.8	-42.2	175.2	-77.5	173.3	175.7	-177.5	0	111.5	W718 V731 D732 L738 D739	W718-K735 HydrophobicContact CD2-CG 4.46Å; W718-K735 HydrophobicContact CH2-CG 4.06Å; W718-K735 HydrophobicContact CZ2-CG 3.54Å; V731-K735 HydrophobicContact CG1-CD 4.1Å; V731-K735 HydrophobicContact CG1-CG 4.46Å; V731-K735 WeakPolarHBondContact O-CB 3.11Å; V731-K735 VanDerWaalsContact O-CG 3.29Å; V731-K735 WeakPolarHBondContact O-CG 3.39Å; V731-K735 PolarHBondContact O-N 2.64Å; D732-K735 PolarHBondContact O-N 2.97Å; K735-L738 CarbonylContact O-C 3.21Å; K735-L738 PolarHBondContact O-N 3.05Å; K735-D739 PolarHBondContact O-N 2.91Å; K735-D739 VanDerWaalsContact O-N 3.15Å
736	R	98.8	Very high	97.5	Very high	118 Å²	118	44.7 Å²	44.7	45%	0.445	22%	0.224	S	C	.	.	H	α-helix	trans	-69.4	-31.9	177.3	-70.8	175.3	-162.5	-101	3.3	114.2	D732 F733 L734 R745 M746 H754	D732-R736 VanDerWaalsContact CG-NE 3.29Å; D732-R736 WeakPolarHBondContact O-CB 3.38Å; D732-R736 VanDerWaalsContact O-CG 3.27Å; D732-R736 WeakPolarHBondContact O-CG 3.36Å; D732-R736 PolarHBondContact O-N 2.88Å; D732-R736 IonicContact OD1-CZ 3.76Å; D732-R736 VanDerWaalsContact OD1-CZ 3.28Å; D732-R736 IonicContact OD1-NE 3.29Å; D732-R736 PolarHBondContact OD1-NE 3.38Å; D732-R736 IonicContact OD1-NH2 2.95Å; D732-R736 PolarHBondContact OD1-NH2 2.99Å; D732-R736 IonicContact OD2-CZ 2.76Å; D732-R736 IonicContact OD2-NE 3.49Å; D732-R736 PolarHBondContact OD2-NE 3.14Å; D732-R736 IonicContact OD2-NH2 2.94Å; D732-R736 PolarHBondContact OD2-NH2 3.35Å; F733-R736 PolarHBondContact O-N 3.17Å; L734-R736 VanDerWaalsContact C-N 3.27Å; L734-R736 PolarHBondContact O-N 2.74Å; R736-R745 WeakPolarHBondContact O-CG 3.29Å; R736-M746 HydrophobicContact CB-CB 3.81Å; R736-M746 HydrophobicContact CB-CE 3.71Å; R736-M746 HydrophobicContact CB-SD 3.94Å; R736-M746 WeakPolarHBondContact O-CB 3.31Å; R736-M746 PolarHBondContact O-N 3.02Å; R736-H754 WeakPolarHBondContact CD-NE2 3.45Å; R736-H754 PolarHBondContact NE-NE2 2.79Å
737	C	98.9	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-74.6	-26.7	170.7	-72.9	0	0	0	0	112.7	M627 W628 F733 L734 R745 M746	M627-C737 WeakPolarHBondContact O-CB 3.49Å; W628-C737 WeakPolarHBondContact CA-O 3.33Å; F733-C737 VanDerWaalsContact CE1-SG 3.5Å; F733-C737 PolarHBondContact O-N 3.34Å; F733-C737 PolarHBondContact O-SG 2.87Å; L734-C737 PolarHBondContact O-N 3.46Å; C737-R745 WeakPolarHBondContact O-CD 3.13Å; C737-R745 WeakPolarHBondContact O-CG 3.41Å; C737-M746 WeakPolarHBondContact SG-CE 3.16Å
738	L	98.8	Very high	98	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	30.7	-174.7	-60.7	172.2	0	0	0	112.1	W628 L643 L660 W718 L734 K735	W628-L738 HydrophobicContact CD2-CD2 3.52Å; W628-L738 HydrophobicContact CE3-CB 4.24Å; W628-L738 HydrophobicContact CE3-CD2 3.76Å; W628-L738 HydrophobicContact CG-CD2 3.94Å; W628-L738 HydrophobicContact CH2-CB 4.43Å; W628-L738 HydrophobicContact CH2-CD2 4.24Å; W628-L738 HydrophobicContact CZ2-CD2 4.03Å; W628-L738 HydrophobicContact CZ3-CB 4.03Å; W628-L738 HydrophobicContact CZ3-CD2 4.12Å; W628-L738 WeakPolarHBondContact CZ3-O 3.39Å; L643-L738 HydrophobicContact CD2-CD1 3.67Å; L660-L738 HydrophobicContact CD1-CB 4.47Å; L660-L738 VanDerWaalsContact CD1-O 3.22Å; L660-L738 WeakPolarHBondContact CD1-O 3.46Å; W718-L738 HydrophobicContact CH2-CD1 4Å; W718-L738 HydrophobicContact CZ3-CD1 4.48Å; L734-L738 VanDerWaalsContact O-CB 3.31Å; L734-L738 WeakPolarHBondContact O-CB 3.2Å; L734-L738 WeakPolarHBondContact O-CG 3.27Å; L734-L738 PolarHBondContact O-N 3.39Å; K735-L738 CarbonylContact O-C 3.21Å; K735-L738 PolarHBondContact O-N 3.05Å
739	D	98.4	Very high	98.1	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	19%	0.19	S	C	.	.			trans	-66.5	141.7	171.9	-163	-17.3	0	0	0	110.5	K735 D741 T744 R745	K735-D739 PolarHBondContact O-N 2.91Å; K735-D739 VanDerWaalsContact O-N 3.15Å; D739-D741 PolarHBondContact OD1-N 3.39Å; D739-T744 VanDerWaalsContact CG-OG1 3.28Å; D739-T744 WeakPolarHBondContact OD2-CB 3.49Å; D739-T744 PolarHBondContact OD2-OG1 2.94Å; D739-R745 HydrophobicContact CB-CB 3.96Å; D739-R745 HydrophobicContact CB-CG 4.15Å; D739-R745 VanDerWaalsContact O-CZ 3.29Å; D739-R745 PolarHBondContact O-NE 3.01Å; D739-R745 PolarHBondContact O-NH2 3.16Å
740	W	97.8	Very high	98.1	Very high	20 Å²	20	41.1 Å²	41.1	8%	0.076	21%	0.207	C	C	.	.	S	Bend	trans	-66.7	-39.2	178.2	-84.7	112.5	0	0	0	112.3	P613 L617 L653 I656 I657 G661 P663 P664 P742	P613-W740 HydrophobicContact CB-CE3 3.61Å; P613-W740 HydrophobicContact CB-CZ3 3.43Å; P613-W740 VanDerWaalsContact CB-CZ3 3.43Å; P613-W740 HydrophobicContact CG-CE3 3.82Å; P613-W740 HydrophobicContact CG-CZ3 4.14Å; L617-W740 HydrophobicContact CD1-CZ3 4.39Å; L653-W740 HydrophobicContact CD1-CH2 3.72Å; L653-W740 HydrophobicContact CD1-CZ3 3.86Å; I656-W740 HydrophobicContact CB-CH2 4.29Å; I656-W740 HydrophobicContact CG2-CH2 3.45Å; I656-W740 VanDerWaalsContact CG2-CH2 3.45Å; I656-W740 HydrophobicContact CG2-CZ2 3.52Å; I656-W740 HydrophobicContact CG2-CZ3 4.02Å; I657-W740 HydrophobicContact CG1-CH2 3.76Å; I657-W740 HydrophobicContact CG1-CZ2 3.79Å; G661-W740 VanDerWaalsContact O-CZ2 3.3Å; G661-W740 WeakPolarHBondContact O-CZ2 3.49Å; G661-W740 PolarHBondContact O-NE1 2.85Å; P663-W740 HydrophobicContact CB-CD2 3.9Å; P663-W740 HydrophobicContact CB-CE3 3.71Å; P663-W740 HydrophobicContact CB-CH2 4.01Å; P663-W740 HydrophobicContact CB-CZ2 4.19Å; P663-W740 HydrophobicContact CB-CZ3 3.77Å; P663-W740 HydrophobicContact CG-CH2 4.16Å; P663-W740 HydrophobicContact CG-CZ2 4.43Å; P663-W740 HydrophobicContact CG-CZ3 4.29Å; P664-W740 HydrophobicContact CG-CB 4.21Å; W740-P742 WeakPolarHBondContact O-CD 3.37Å
741	D	96.4	Very high	98.2	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.112	21%	0.207	C	C	.	.	S	Bend	trans	-90	116.6	179.7	-168	-25	0	0	0	110	K666 D739 E743 T744 R745	K666-D741 WeakPolarHBondContact CE-OD2 3.36Å; K666-D741 IonicContact NZ-OD1 3.49Å; K666-D741 IonicContact NZ-OD2 3.22Å; K666-D741 PolarHBondContact NZ-OD2 3.41Å; D739-D741 PolarHBondContact OD1-N 3.39Å; D741-E743 PolarHBondContact O-N 2.98Å; D741-E743 WeakPolarHBondContact OD1-CB 3.5Å; D741-E743 PolarHBondContact OD1-N 3.32Å; D741-T744 PolarHBondContact O-N 3.03Å; D741-T744 PolarHBondContact O-OG1 3.44Å; D741-R745 PolarHBondContact O-N 2.85Å
742	P	97.1	Very high	98.1	Very high	31 Å²	31	42 Å²	42	20%	0.201	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.5	178.7	28.1	-35.4	0	0	0	113.6	P624 W740	P624-P742 HydrophobicContact CB-CB 3.76Å; P624-P742 HydrophobicContact CG-CB 4.09Å; P624-P742 VanDerWaalsContact CG-O 3.24Å; P624-P742 WeakPolarHBondContact CG-O 3.42Å; W740-P742 WeakPolarHBondContact O-CD 3.37Å
743	E	95.4	Very high	98	Very high	154 Å²	154	47 Å²	47	72%	0.72	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.2	175.4	-59.6	-177.2	156	0	0	112.7	K666 D741	K666-E743 IonicContact NZ-OE2 2.77Å; K666-E743 PolarHBondContact NZ-OE2 2.97Å; D741-E743 PolarHBondContact O-N 2.98Å; D741-E743 WeakPolarHBondContact OD1-CB 3.5Å; D741-E743 PolarHBondContact OD1-N 3.32Å
744	T	96.5	Very high	98	Very high	89 Å²	89	47.9 Å²	47.9	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-20.7	176.7	54.7	0	0	0	0	113.4	D739 D741 M746	D739-T744 VanDerWaalsContact CG-OG1 3.28Å; D739-T744 WeakPolarHBondContact OD2-CB 3.49Å; D739-T744 PolarHBondContact OD2-OG1 2.94Å; D741-T744 PolarHBondContact O-N 3.03Å; D741-T744 PolarHBondContact O-OG1 3.44Å; T744-M746 PolarHBondContact O-N 3.17Å
745	R	98.4	Very high	97.9	Very high	6 Å²	6	55.1 Å²	55.1	2%	0.023	27%	0.266	C	S	.	.	S	Bend	trans	-53.1	134.7	176.6	-165.8	-177.9	-64.4	149.3	8.9	111.9	E614 P624 R736 C737 D739 D741 T747	E614-R745 IonicContact OE1-CZ 3.56Å; E614-R745 IonicContact OE1-NH1 2.64Å; E614-R745 PolarHBondContact OE1-NH1 3Å; E614-R745 IonicContact OE1-NH2 3.85Å; E614-R745 PolarHBondContact OE1-NH2 2.93Å; E614-R745 IonicContact OE2-CZ 2.7Å; E614-R745 IonicContact OE2-NH1 3.91Å; E614-R745 PolarHBondContact OE2-NH1 3.46Å; E614-R745 IonicContact OE2-NH2 2.68Å; E614-R745 PolarHBondContact OE2-NH2 3.25Å; P624-R745 WeakPolarHBondContact O-CD 3.1Å; P624-R745 PolarHBondContact O-NH1 3.09Å; R736-R745 WeakPolarHBondContact O-CG 3.29Å; C737-R745 WeakPolarHBondContact O-CD 3.13Å; C737-R745 WeakPolarHBondContact O-CG 3.41Å; D739-R745 HydrophobicContact CB-CB 3.96Å; D739-R745 HydrophobicContact CB-CG 4.15Å; D739-R745 VanDerWaalsContact O-CZ 3.29Å; D739-R745 PolarHBondContact O-NE 3.01Å; D739-R745 PolarHBondContact O-NH2 3.16Å; D741-R745 PolarHBondContact O-N 2.85Å; R745-T747 PolarHBondContact O-N 3.24Å
746	M	98.7	Very high	97.8	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.054	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63	126.5	-174	175.4	173	65.7	0	0	112.7	M627 F733 R736 C737 T744 Q750 A751	M627-M746 WeakPolarHBondContact CE-O 3.33Å; M627-M746 WeakPolarHBondContact CG-O 3.48Å; F733-M746 HydrophobicContact CD1-CE 4.26Å; F733-M746 HydrophobicContact CD2-CE 3.64Å; F733-M746 HydrophobicContact CE1-CE 4.23Å; F733-M746 HydrophobicContact CE2-CE 3.64Å; F733-M746 HydrophobicContact CG-CE 3.97Å; F733-M746 HydrophobicContact CZ-CE 3.93Å; R736-M746 HydrophobicContact CB-CB 3.81Å; R736-M746 HydrophobicContact CB-CE 3.71Å; R736-M746 HydrophobicContact CB-SD 3.94Å; R736-M746 WeakPolarHBondContact O-CB 3.31Å; R736-M746 PolarHBondContact O-N 3.02Å; C737-M746 WeakPolarHBondContact SG-CE 3.16Å; T744-M746 PolarHBondContact O-N 3.17Å; M746-Q750 HydrophobicContact CG-CB 3.81Å; M746-A751 HydrophobicContact CE-CB 3.92Å; M746-A751 HydrophobicContact CG-CB 4.03Å; M746-A751 HydrophobicContact SD-CB 3.96Å
747	T	98.9	Very high	97.5	Very high	37 Å²	37	45.6 Å²	45.6	23%	0.227	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76.8	162.4	174.5	62	0	0	0	0	112.4	R745 A749 Q750 A751	R745-T747 PolarHBondContact O-N 3.24Å; T747-A749 VanDerWaalsContact C-N 3.33Å; T747-A749 PolarHBondContact O-N 3.47Å; T747-Q750 PolarHBondContact O-N 2.99Å; T747-Q750 VanDerWaalsContact O-N 3.14Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.38Å; T747-Q750 PolarHBondContact OG1-N 2.77Å; T747-Q750 PolarHBondContact OG1-OE1 3.34Å; T747-A751 WeakPolarHBondContact O-CB 3.42Å; T747-A751 PolarHBondContact O-N 3.02Å
748	P	98.7	Very high	96.9	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-41.8	177.4	-23.8	34.5	0	0	0	113.2	L555 L558 D559 M627 Q750 A751 L752	L555-P748 HydrophobicContact CD2-CB 3.94Å; L558-P748 HydrophobicContact CB-CB 4.1Å; L558-P748 HydrophobicContact CB-CG 3.67Å; D559-P748 HydrophobicContact CB-CB 3.91Å; M627-P748 HydrophobicContact CG-CG 4.17Å; M627-P748 HydrophobicContact SD-CB 4.34Å; M627-P748 HydrophobicContact SD-CG 3.77Å; P748-Q750 VanDerWaalsContact C-N 3.29Å; P748-Q750 PolarHBondContact O-N 3.22Å; P748-A751 WeakPolarHBondContact O-CB 3.32Å; P748-A751 PolarHBondContact O-N 3.13Å; P748-A751 VanDerWaalsContact O-N 3.17Å; P748-L752 WeakPolarHBondContact O-CB 3.17Å; P748-L752 WeakPolarHBondContact O-CG 3.49Å; P748-L752 PolarHBondContact O-N 3.21Å
749	A	98.1	Very high	95.8	Very high	31 Å²	31	59.8 Å²	59.8	26%	0.256	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-29.4	178.2	0	0	0	0	0	113.7	D559 T747 K753	D559-A749 WeakPolarHBondContact OD1-CB 3.48Å; T747-A749 VanDerWaalsContact C-N 3.33Å; T747-A749 PolarHBondContact O-N 3.47Å; A749-K753 WeakPolarHBondContact O-CD 3.44Å; A749-K753 WeakPolarHBondContact O-CG 3.14Å
750	Q	98.4	Very high	93.8	Very high	108 Å²	108	67.7 Å²	67.7	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-79.4	-41.7	171.4	-71.9	160.8	-35.1	0	0	111	M746 T747 P748 L752 K753 H754	M746-Q750 HydrophobicContact CG-CB 3.81Å; T747-Q750 PolarHBondContact O-N 2.99Å; T747-Q750 VanDerWaalsContact O-N 3.14Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.38Å; T747-Q750 PolarHBondContact OG1-N 2.77Å; T747-Q750 PolarHBondContact OG1-OE1 3.34Å; P748-Q750 VanDerWaalsContact C-N 3.29Å; P748-Q750 PolarHBondContact O-N 3.22Å; Q750-L752 PolarHBondContact O-N 3.49Å; Q750-K753 CarbonylContact O-C 3.52Å; Q750-K753 WeakPolarHBondContact O-CA 3.46Å; Q750-K753 WeakPolarHBondContact O-CB 3.5Å; Q750-K753 PolarHBondContact O-N 2.95Å; Q750-H754 PolarHBondContact O-N 3.29Å; Q750-H754 VanDerWaalsContact O-N 3.16Å
751	A	98.5	Very high	91.8	Very high	0 Å²	0	71 Å²	71	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-44.4	178.3	0	0	0	0	0	112.4	L555 M627 F733 M746 T747 P748 K753 H754 L757	L555-A751 HydrophobicContact CD1-CB 3.84Å; L555-A751 HydrophobicContact CD2-CB 3.64Å; L555-A751 HydrophobicContact CG-CB 4.43Å; M627-A751 HydrophobicContact CE-CB 3.7Å; F733-A751 HydrophobicContact CE2-CB 3.75Å; F733-A751 HydrophobicContact CZ-CB 3.91Å; M746-A751 HydrophobicContact CE-CB 3.92Å; M746-A751 HydrophobicContact CG-CB 4.03Å; M746-A751 HydrophobicContact SD-CB 3.96Å; T747-A751 WeakPolarHBondContact O-CB 3.42Å; T747-A751 PolarHBondContact O-N 3.02Å; P748-A751 WeakPolarHBondContact O-CB 3.32Å; P748-A751 PolarHBondContact O-N 3.13Å; P748-A751 VanDerWaalsContact O-N 3.17Å; A751-K753 PolarHBondContact O-N 2.94Å; A751-K753 VanDerWaalsContact O-N 3.17Å; A751-H754 WeakPolarHBondContact O-CB 3.35Å; A751-H754 PolarHBondContact O-N 2.88Å; A751-L757 VanDerWaalsContact O-CD1 3.31Å; A751-L757 WeakPolarHBondContact O-CD1 3.38Å
752	L	97.3	Very high	89.3	Confident	41 Å²	41	75 Å²	75	22%	0.215	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.4	173.3	-73.5	169.2	0	0	0	113.1	Y552 L555 D559 P748 Q750	Y552-L752 HydrophobicContact CD2-CD2 3.75Å; Y552-L752 HydrophobicContact CE2-CD2 3.8Å; L555-L752 HydrophobicContact CB-CD2 3.67Å; L555-L752 HydrophobicContact CB-CG 3.96Å; L555-L752 HydrophobicContact CD1-CD2 4.18Å; L555-L752 HydrophobicContact CD1-CG 4.37Å; D559-L752 HydrophobicContact CB-CD1 4.11Å; P748-L752 WeakPolarHBondContact O-CB 3.17Å; P748-L752 WeakPolarHBondContact O-CG 3.49Å; P748-L752 PolarHBondContact O-N 3.21Å; Q750-L752 PolarHBondContact O-N 3.49Å
753	K	96.8	Very high	86.6	Confident	154 Å²	154	79 Å²	79	67%	0.67	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.8	177.4	-63.1	172.9	-172.7	177.1	0	113.2	A749 Q750 A751 R758	A749-K753 WeakPolarHBondContact O-CD 3.44Å; A749-K753 WeakPolarHBondContact O-CG 3.14Å; Q750-K753 CarbonylContact O-C 3.52Å; Q750-K753 WeakPolarHBondContact O-CA 3.46Å; Q750-K753 WeakPolarHBondContact O-CB 3.5Å; Q750-K753 PolarHBondContact O-N 2.95Å; A751-K753 PolarHBondContact O-N 2.94Å; A751-K753 VanDerWaalsContact O-N 3.17Å; K753-R758 WeakPolarHBondContact O-CD 3.43Å
754	H	97.9	Very high	83.9	Confident	17 Å²	17	76.7 Å²	76.7	8%	0.079	37%	0.372	C	S	.	.	S	Bend	trans	-65.9	145.2	-173.7	-163.2	-101.4	0	0	0	113	D732 F733 R736 Q750 A751 W756 L757 R758	D732-H754 IonicContact OD2-CE1 2.9Å; D732-H754 PolarHBondContact OD2-CE1 3.21Å; D732-H754 IonicContact OD2-NE2 3.86Å; D732-H754 PolarHBondContact OD2-NE2 3.43Å; F733-H754 HydrophobicContact CD2-CB 3.87Å; F733-H754 AromaticContact CD2-CG 3.72Å; F733-H754 AromaticContact CD2-ND1 3.57Å; F733-H754 HydrophobicContact CE2-CB 4.19Å; R736-H754 WeakPolarHBondContact CD-NE2 3.45Å; R736-H754 PolarHBondContact NE-NE2 2.79Å; Q750-H754 PolarHBondContact O-N 3.29Å; Q750-H754 VanDerWaalsContact O-N 3.16Å; A751-H754 WeakPolarHBondContact O-CB 3.35Å; A751-H754 PolarHBondContact O-N 2.88Å; H754-W756 PolarHBondContact ND1-N 2.93Å; H754-W756 PolarHBondContact O-N 3.46Å; H754-W756 VanDerWaalsContact O-N 3.13Å; H754-L757 PolarHBondContact O-N 3.25Å; H754-R758 PolarHBondContact O-N 2.94Å
755	K	96.3	Very high	81.6	Confident	153 Å²	153	77.9 Å²	77.9	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-54.5	-36.6	-178.6	-64.4	-177.7	179.1	177.8	0	112.6	L729 L757 R758 R759	L729-K755 HydrophobicContact CD1-CB 3.86Å; L729-K755 HydrophobicContact CD2-CB 4.37Å; K755-L757 PolarHBondContact O-N 2.94Å; K755-R758 PolarHBondContact O-N 3.05Å; K755-R759 PolarHBondContact O-N 3.4Å
756	W	96.9	Very high	79.1	Confident	0 Å²	0	87.8 Å²	87.8	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-61.8	-36.2	177.6	-179.4	68.9	0	0	0	114.1	V547 R548 A551 L634 L729 F730 F733 H754	V547-W756 HydrophobicContact CG1-CH2 4.18Å; V547-W756 HydrophobicContact CG1-CZ2 4.36Å; R548-W756 HydrophobicContact CB-CH2 4.19Å; R548-W756 HydrophobicContact CB-CZ2 3.91Å; R548-W756 PolarHBondContact NE-O 3.37Å; A551-W756 HydrophobicContact CB-CH2 3.74Å; A551-W756 HydrophobicContact CB-CZ3 3.58Å; L634-W756 HydrophobicContact CD1-CH2 4.4Å; L634-W756 HydrophobicContact CD1-CZ3 4.21Å; L729-W756 HydrophobicContact CB-CB 3.86Å; L729-W756 HydrophobicContact CB-CG 4.43Å; L729-W756 WeakPolarHBondContact O-CB 3.38Å; F730-W756 HydrophobicContact CB-CG 4.49Å; F730-W756 AromaticContact CD2-CD2 3.97Å; F730-W756 HydrophobicContact CD2-CD2 3.97Å; F730-W756 AromaticContact CD2-CE2 3.43Å; F730-W756 VanDerWaalsContact CD2-CE2 3.43Å; F730-W756 HydrophobicContact CD2-CE3 4.3Å; F730-W756 AromaticContact CD2-CH2 3.75Å; F730-W756 HydrophobicContact CD2-CH2 3.75Å; F730-W756 AromaticContact CD2-CZ2 3.34Å; F730-W756 HydrophobicContact CD2-CZ2 3.34Å; F730-W756 HydrophobicContact CD2-CZ3 4.19Å; F730-W756 AromaticContact CD2-NE1 3.77Å; F730-W756 AromaticContact CE2-CH2 3.75Å; F730-W756 HydrophobicContact CE2-CH2 3.75Å; F730-W756 AromaticContact CE2-CZ2 3.72Å; F730-W756 HydrophobicContact CE2-CZ2 3.72Å; F730-W756 HydrophobicContact CE2-CZ3 4.32Å; F730-W756 HydrophobicContact CG-CZ2 4.34Å; F733-W756 HydrophobicContact CB-CB 4.31Å; F733-W756 HydrophobicContact CB-CD2 4.48Å; F733-W756 HydrophobicContact CB-CE3 4.15Å; F733-W756 AromaticContact CD1-CE3 3.98Å; F733-W756 HydrophobicContact CD1-CE3 3.98Å; F733-W756 HydrophobicContact CD1-CZ3 4.04Å; F733-W756 AromaticContact CD2-CE3 3.7Å; F733-W756 HydrophobicContact CD2-CE3 3.7Å; F733-W756 HydrophobicContact CD2-CZ3 4.38Å; F733-W756 HydrophobicContact CE1-CE3 4.33Å; F733-W756 HydrophobicContact CE1-CZ3 4.09Å; F733-W756 HydrophobicContact CE2-CE3 4.05Å; F733-W756 HydrophobicContact CE2-CZ3 4.4Å; F733-W756 HydrophobicContact CG-CD2 4.45Å; F733-W756 AromaticContact CG-CE3 3.66Å; F733-W756 HydrophobicContact CG-CE3 3.66Å; F733-W756 HydrophobicContact CG-CZ3 4.21Å; F733-W756 HydrophobicContact CZ-CE3 4.36Å; F733-W756 HydrophobicContact CZ-CZ3 4.27Å; H754-W756 PolarHBondContact ND1-N 2.93Å; H754-W756 PolarHBondContact O-N 3.46Å; H754-W756 VanDerWaalsContact O-N 3.13Å
757	L	94.1	Very high	76.6	Confident	23 Å²	23	94.5 Å²	94.5	12%	0.12	45%	0.454	C	S	.	.	H	α-helix	trans	-85.6	-35	175.6	-63	-171.1	0	0	0	111.9	R548 A551 L555 F733 A751 H754 K755 R759	R548-L757 HydrophobicContact CG-CD2 3.76Å; A551-L757 HydrophobicContact CB-CD2 4.15Å; L555-L757 HydrophobicContact CD1-CD1 3.39Å; F733-L757 HydrophobicContact CE2-CD1 4.19Å; F733-L757 HydrophobicContact CE2-CG 4.25Å; A751-L757 VanDerWaalsContact O-CD1 3.31Å; A751-L757 WeakPolarHBondContact O-CD1 3.38Å; H754-L757 PolarHBondContact O-N 3.25Å; K755-L757 PolarHBondContact O-N 2.94Å; L757-R759 VanDerWaalsContact C-N 3.28Å; L757-R759 PolarHBondContact O-N 2.8Å
758	R	86.1	Confident	74.1	Confident	191 Å²	191	96.5 Å²	96.5	72%	0.721	48%	0.482	S	S	*	.	H	α-helix	trans	-74.3	-8.6	179	-68.3	-167.2	71.3	-169.8	2.6	114.8	K753 H754 K755 R760	K753-R758 WeakPolarHBondContact O-CD 3.43Å; H754-R758 PolarHBondContact O-N 2.94Å; K755-R758 PolarHBondContact O-N 3.05Å; R758-R760 PolarHBondContact O-N 3.28Å
759	R	75.2	Confident	71.6	Confident	111 Å²	111	104.3 Å²	104.3	42%	0.419	52%	0.523	S	S	.	.	S	Bend	trans	-55.4	109.6	163.1	-86.1	-171.4	177.5	139.3	-0.1	107.9	D727 L729 K755 L757 L761	D727-R759 IonicContact OD1-CZ 3.73Å; D727-R759 IonicContact OD1-NH1 2.8Å; D727-R759 PolarHBondContact OD1-NH1 3.49Å; D727-R759 IonicContact OD1-NH2 3.77Å; D727-R759 IonicContact OD2-NH1 2.94Å; D727-R759 PolarHBondContact OD2-NH1 3.1Å; L729-R759 HydrophobicContact CD1-CG 4.43Å; L729-R759 VanDerWaalsContact CD1-CZ 3.44Å; K755-R759 PolarHBondContact O-N 3.4Å; L757-R759 VanDerWaalsContact C-N 3.28Å; L757-R759 PolarHBondContact O-N 2.8Å; R759-L761 PolarHBondContact O-N 3Å
760	R	56.8	Low	69	Low	220 Å²	220	111.5 Å²	111.5	83%	0.83	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-48.8	130	178.9	-68.7	-176.7	178	173	-0.9	109	R758	R758-R760 PolarHBondContact O-N 3.28Å
761	L	54.5	Low	66.2	Low	88 Å²	88	111.9 Å²	111.9	46%	0.461	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-56	141	153.8	-68	171.4	0	0	0	106.4	M545 R759 N763	M545-L761 HydrophobicContact CE-CD2 4.26Å; R759-L761 PolarHBondContact O-N 3Å; L761-N763 PolarHBondContact O-N 3.21Å
762	P	45	Very low	63.2	Low	105 Å²	105	121.2 Å²	121.2	68%	0.682	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-50.6	131	173.8	-25.8	34.5	0	0	0	109.2
763	N	39.1	Very low	60.1	Low	116 Å²	116	123.2 Å²	123.2	62%	0.62	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-55.5	144.6	166.9	-70.8	-4.8	0	0	0	107.2	L761	L761-N763 PolarHBondContact O-N 3.21Å
764	P	40.4	Very low	57.1	Low	106 Å²	106	119.2 Å²	119.2	69%	0.688	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-53.2	147.9	159	27.9	-34	0	0	0	108.2	R766	P764-R766 PolarHBondContact O-N 3.21Å
765	P	46.8	Very low	54.3	Low	114 Å²	114	127.1 Å²	127.1	74%	0.74	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.2	172.4	24.4	-33.2	0	0	0	108.2	D767	P765-D767 PolarHBondContact O-N 3.34Å
766	R	47.3	Very low	51.4	Low	214 Å²	214	124 Å²	124	81%	0.808	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.5	120.9	165.6	-76.8	-178.1	166.8	-167.7	-6.4	105.9	P764 G768	P764-R766 PolarHBondContact O-N 3.21Å; R766-G768 PolarHBondContact O-N 3.06Å
767	D	45.4	Very low	48.7	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-55.4	127.4	169.1	-63.5	-56.6	0	0	0	108.4	P765 L769	P765-D767 PolarHBondContact O-N 3.34Å; D767-L769 PolarHBondContact O-N 3.26Å
768	G	47.5	Very low	46.2	Very low	79 Å²	79	139.9 Å²	139.9	81%	0.814	77%	0.769	S	S	*	*			trans	-72.7	101.9	-165.5	0	0	0	0	0	112.2	R766	R766-G768 PolarHBondContact O-N 3.06Å
769	L	46.1	Very low	43.9	Very low	169 Å²	169	143.7 Å²	143.7	89%	0.885	79%	0.794	S	S	*	*			trans	-129.3	31.1	177	-143.3	82.8	0	0	0	113.9	D767	D767-L769 PolarHBondContact O-N 3.26Å
770	E	42.2	Very low	42.3	Very low	181 Å²	181	145.3 Å²	145.3	85%	0.846	81%	0.813	S	S	*	*			trans	-124.5	81.5	170.6	-76.4	177.8	-179.4	0	0	109.8
771	S	40.2	Very low	41.6	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	81%	0.812	S	S	*	*			trans	-163.2	75.8	163	-171.8	0	0	0	0	110.9
772	M	36.4	Very low	40.8	Very low	195 Å²	195	144.3 Å²	144.3	96%	0.961	83%	0.832	S	S	*	*	S	Bend	trans	-178	135.2	158.9	-104	-62.5	-170.9	0	0	108.6
773	G	31.7	Very low	40.6	Very low	83 Å²	83	146.6 Å²	146.6	86%	0.856	84%	0.84	S	S	*	*			trans	91.9	113.4	177.4	0	0	0	0	0	114.1
774	G	32.7	Very low	40.7	Very low	71 Å²	71	148.6 Å²	148.6	73%	0.732	85%	0.854	S	S	*	*			trans	-135.9	-166.8	168.6	0	0	0	0	0	110.3
775	L	38.8	Very low	40.7	Very low	183 Å²	183	151.4 Å²	151.4	96%	0.958	87%	0.865	S	S	*	*			trans	64.4	98.1	175.1	-60.8	167.4	0	0	0	116.2
776	A	36.5	Very low	40.3	Very low	88 Å²	88	154.1 Å²	154.1	73%	0.727	87%	0.874	S	S	*	*			trans	-156.3	132.4	134.9	0	0	0	0	0	110.4
777	D	39.3	Very low	39.7	Very low	164 Å²	164	149.5 Å²	149.5	88%	0.877	88%	0.879	S	S	*	*			trans	57.2	121.5	149.4	-49.3	-23.3	0	0	0	121.9
778	H	42.4	Very low	39.3	Very low	192 Å²	192	149.3 Å²	149.3	89%	0.889	89%	0.885	S	S	*	*			trans	-94.9	136.6	162.3	-90	-92.9	0	0	0	110
779	E	37.4	Very low	38.5	Very low	270 Å²	270	155.7 Å²	155.7	100%	1.262	89%	0.892	S	S	*	*				-152.9	0	126.9	-110.8	-176.3	171.5	0	0	109.8

Retrieved 779 of 779 residues in 598.3 ms (Link to these results)

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