A0A087YN23_POEFO Loading...

Serine/threonine-protein kinase PRP4 homolog

AlphaFold DB , UniProt , Accession A0A087YN23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,014 aa.

						>A0A087YN23_POEFO|A0A087YN23
MADVEMDIMSRRMNNGNEHVKQDLETNERSGNEDSGDLSEEEGEEEQAGTNGEKTEEGSKHHSSSSGKHKRKKHKHRSKHKKHKHAAEEDKDKKRKHRHKHRKHKRKETSSPAEEAPFGSAGNRKVESSPSSGNPSLDDRAVLEDLEKQRALIKAELDNQLMEGKVQSGMGLILQGYNSGSEEDGEARFRNGEQRPRGSSGKLISPRGEKSGKSRRDSTDGSKSVSKRRSRSKSADKAAKEAKPDKGTKSSKEAAVKDRSRARSRSKDRKQSASTDRFKEKRKSNSPPSFRNEQKVSRTDKRSPPQREERPNQDRTSRRSKSPVRERPSRSDADRDKRPAKSPSKDASLGKENRSPHRRGGHSPARKRSASPRHRDTHHTSASASDRTSKHSPPRRSPPRRAHSRSLDARRREVDRQDSPLRKRSRADAGPLGDRTREKSPRSVSRRRVSRSPLRRRSPSLPRRSRSSPRRRSRSPLRRRSGERDRYGRLRQYRRSMSRDRERRRRRSRDEDKFKGSLSEGMKLDQESSDDEMLEDFEGEEIDEEALIEQRRQQRMAIVQKYKTVNEETNMVSEPSSPQSSTRSRSPSPDDILERVAADVKEYERENLNTFEASIKAKHNLIAQEKDAANPKKPSAPDMFTESDDMFAAHFDSARMRAAGVGKDFKENPNLRDNWTDAEGYYRVNIGETLDKRYDVYGYTGQGVFSNVIRARDTARAGQEVAVKIIRNNELMQKTGLKELEFLRKLNDADPDDKFHCLRLFRHFYHKQHLCLVFEPLSMNLREVLKKYGKDVGLHIKAVRSYSQQLFLALKLLKRCNILHADIKPDNILVNESKTILKLCDFGSASHVADNDITPYLVSRFYRAPEIIIGKPYDYGIDMWSVGCTLYELYTGKILLPGSSNNHMLKLAMDLKGKMPNKMIRKGLFKDQHFDQNLNFLYIEVDKVTEREKVTVMSTMNPTKDLLAELIGGQRLPEDQRKKVMQLKDLLESTLMLDPAKRISINQALQHPFIQEKI
					

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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	31.2	Very low	33.7	Very low	248 Å²	248	152.5 Å²	152.5	100%	1.222	79%	0.791	S	S	*	*				0	88.3	0	-68	179.5	176.7	0	0	107.3
2	A	32.9	Very low	33.1	Very low	78 Å²	78	158.7 Å²	158.7	65%	0.645	80%	0.797	S	S	*	*			cis	-147.4	143.6	1.2	0	0	0	0	0	109.8
3	D	35.3	Very low	32.9	Very low	147 Å²	147	160 Å²	160	79%	0.786	80%	0.802	S	S	*	*				42.3	145	121.6	-36.8	-16.3	0	0	0	118.4
4	V	37.6	Very low	32.7	Very low	118 Å²	118	157.9 Å²	157.9	72%	0.715	79%	0.794	S	S	*	*			cis	-163.8	129.1	-4.2	124.7	0	0	0	0	104.4
5	E	38.2	Very low	32.5	Very low	160 Å²	160	157.3 Å²	157.3	75%	0.748	79%	0.794	S	S	*	*				65.4	142.9	82.3	-151.2	174.4	-120.5	0	0	116.7
6	M	37.7	Very low	32.3	Very low	153 Å²	153	151.7 Å²	151.7	75%	0.754	79%	0.789	S	S	*	*			trans	73	144.6	171.4	-82.6	-175.7	-77	0	0	119.9
7	D	33.8	Very low	32.2	Very low	131 Å²	131	151.1 Å²	151.1	70%	0.701	79%	0.787	S	S	*	*			cis	-156.5	170.7	-18.8	-147.2	9.4	0	0	0	116.7
8	I	34.6	Very low	32.2	Very low	125 Å²	125	150.7 Å²	150.7	64%	0.641	78%	0.781	S	S	*	*			trans	-34.3	144	169.3	-68.7	155.7	0	0	0	118.5
9	M	29.5	Very low	32.3	Very low	195 Å²	195	151.6 Å²	151.6	96%	0.961	78%	0.78	S	S	*	*			trans	-146.3	165.6	130.9	-110.2	-165.2	-175.1	0	0	112.6
10	S	29.7	Very low	32.4	Very low	98 Å²	98	149.9 Å²	149.9	69%	0.685	78%	0.777	S	S	*	*			trans	-154.3	166.1	-163	-55.3	0	0	0	0	114.7
11	R	29.9	Very low	32.5	Very low	225 Å²	225	149.3 Å²	149.3	85%	0.849	77%	0.768	S	S	*	*			trans	105.1	124.8	153.4	-62.2	176.5	170.3	-173.9	-2.4	119.3
12	R	27.2	Very low	32.6	Very low	226 Å²	226	144.5 Å²	144.5	85%	0.853	74%	0.743	S	S	*	*				60.8	157.3	128	-69.7	-175	169	-176.3	-4.6	121.6
13	M	30.1	Very low	32.7	Very low	176 Å²	176	144.9 Å²	144.9	87%	0.867	73%	0.734	S	S	*	*			trans	93	141.9	172	-56.7	-62.3	-157.8	0	0	114.6
14	N	29.7	Very low	32.9	Very low	130 Å²	130	143.6 Å²	143.6	70%	0.695	73%	0.727	S	S	*	*			cis	-163.3	-176.7	-30.7	-160.3	18.1	0	0	0	108.2
15	N	30.6	Very low	32.7	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	73%	0.726	S	S	*	*			trans	77	142.6	172.4	-43.7	-10.8	0	0	0	113.9
16	G	28.3	Very low	32.6	Very low	68 Å²	68	142.5 Å²	142.5	70%	0.701	72%	0.721	S	S	*	*			cis	140.4	121.5	-7.5	0	0	0	0	0	112.9
17	N	31.9	Very low	32.5	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	71%	0.714	S	S	*	*			trans	36.8	140.2	132.1	-90.9	36.1	0	0	0	121
18	E	32.3	Very low	32.6	Very low	144 Å²	144	139.9 Å²	139.9	67%	0.673	71%	0.706	S	S	*	*			cis	-169.8	-158.6	3.4	-149	175.6	-131.4	0	0	110.5
19	H	32.7	Very low	32.7	Very low	167 Å²	167	143.6 Å²	143.6	77%	0.773	71%	0.712	S	S	*	*			trans	76.3	146	169.1	-65.6	17.9	0	0	0	116
20	V	35.4	Very low	32.8	Very low	117 Å²	117	139.8 Å²	139.8	71%	0.709	71%	0.705	S	S	*	*			cis	-174.4	153.4	-17	63.1	0	0	0	0	106.5
21	K	34.1	Very low	32.8	Very low	139 Å²	139	138.2 Å²	138.2	60%	0.604	70%	0.704	S	S	*	*			cis	-103.7	-170.5	-2.3	-106.2	-150.3	163.3	-80.8	0	109.7	D23	K21-D23 IonicContact NZ-OD2 2.81Å; K21-D23 PolarHBondContact NZ-OD2 2.9Å
22	Q	33.8	Very low	32.9	Very low	146 Å²	146	134.2 Å²	134.2	68%	0.682	70%	0.7	S	S	*	*			cis	68.8	164.2	27.1	-84.8	-172.1	-62.3	0	0	113.5
23	D	34.3	Very low	33.2	Very low	87 Å²	87	131.7 Å²	131.7	47%	0.465	70%	0.697	S	S	.	*			cis	-147.9	160	-7.3	-89	-29.6	0	0	0	106.7	K21	K21-D23 IonicContact NZ-OD2 2.81Å; K21-D23 PolarHBondContact NZ-OD2 2.9Å
24	L	39.1	Very low	33.3	Very low	120 Å²	120	130.2 Å²	130.2	63%	0.628	69%	0.693	S	S	*	*			cis	-157.3	145.1	-12.8	-95.3	161.2	0	0	0	105.5
25	E	35.1	Very low	33.4	Very low	149 Å²	149	129.2 Å²	129.2	70%	0.696	70%	0.696	S	S	*	*				66.8	141.8	92.9	-131.9	176.5	-111.6	0	0	112.7
26	T	35.8	Very low	33.4	Very low	106 Å²	106	125.6 Å²	125.6	65%	0.65	70%	0.695	S	S	*	*				-166.9	134.5	56	53.1	0	0	0	0	110.6
27	N	35.5	Very low	33.4	Very low	113 Å²	113	129.6 Å²	129.6	60%	0.604	70%	0.7	S	S	*	*				96.4	154.7	95.2	-71.2	9.6	0	0	0	114.8
28	E	36.3	Very low	33.3	Very low	115 Å²	115	129.9 Å²	129.9	54%	0.537	70%	0.701	S	S	.	*			cis	-165.5	160.3	-9.8	-116.2	-179.3	-172.6	0	0	113.7
29	R	35.1	Very low	33.1	Very low	204 Å²	204	127 Å²	127	77%	0.77	70%	0.696	S	S	*	*			trans	54.3	164.3	140.7	-74.8	174.2	-174.6	143.5	-0.5	121.3
30	S	31.8	Very low	32.9	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	70%	0.699	S	S	*	*			cis	-161.2	169.3	-4.6	33	0	0	0	0	109.4
31	G	29.1	Very low	32.6	Very low	66 Å²	66	130.4 Å²	130.4	68%	0.68	71%	0.705	S	S	*	*			cis	140	116.3	-8.7	0	0	0	0	0	115.1
32	N	32.8	Very low	32.3	Very low	140 Å²	140	133 Å²	133	75%	0.749	72%	0.719	S	S	*	*			trans	69.6	144.8	157.6	-76.5	31.8	0	0	0	123.7
33	E	34.3	Very low	32	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	72%	0.72	S	S	*	*			trans	63.3	164.6	146.3	-68.8	156	-128.1	0	0	120.3
34	D	32.4	Very low	31.7	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	74%	0.738	S	S	*	*			cis	-169	163.6	-41.6	-171.9	24.5	0	0	0	110.5
35	S	31.5	Very low	31.1	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	74%	0.744	S	S	*	*			trans	74.3	151.9	155.8	78.2	0	0	0	0	124.2
36	G	29	Very low	30.8	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	75%	0.751	S	S	*	*			trans	84	129.7	163.8	0	0	0	0	0	117.4
37	D	29	Very low	30.3	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	76%	0.757	S	S	*	*			cis	101.8	139.9	10	-156	21.9	0	0	0	117.4
38	L	29	Very low	30	Very low	149 Å²	149	140 Å²	140	78%	0.78	77%	0.771	S	S	*	*			trans	67.8	156.3	180	-51.3	180	0	0	0	117.3
39	S	28.5	Very low	29.5	Very low	82 Å²	82	137.5 Å²	137.5	57%	0.573	78%	0.776	S	S	*	*			cis	-171	165	-25.1	53.2	0	0	0	0	111.1
40	E	28.1	Very low	29	Very low	178 Å²	178	133.7 Å²	133.7	83%	0.832	78%	0.776	S	S	*	*			trans	63.9	171.2	160.7	-69.1	164	-173.6	0	0	118.5
41	E	29	Very low	28.6	Very low	179 Å²	179	136 Å²	136	84%	0.836	78%	0.779	S	S	*	*				-152.7	-167.9	-59.6	-148.5	174.1	-139.2	0	0	109.1
42	E	28.4	Very low	28.5	Very low	194 Å²	194	136.3 Å²	136.3	91%	0.907	78%	0.782	S	S	*	*			trans	67.1	148.1	177.8	-53.5	-174	167.3	0	0	117.6
43	G	27.1	Very low	28.3	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	78%	0.78	S	S	*	*			cis	-176.3	154	-8.5	0	0	0	0	0	113.9
44	E	27.7	Very low	28	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	77%	0.774	S	S	*	*			trans	60.3	123	155.2	-56.9	-175.4	159.4	0	0	120.6
45	E	27.7	Very low	27.6	Very low	163 Å²	163	134 Å²	134	76%	0.762	77%	0.767	S	S	*	*				73.1	148.4	99.4	-56.2	-149	135.3	0	0	115.1
46	E	28.8	Very low	27.5	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	77%	0.768	S	S	*	*			cis	-113.9	168	2.1	-62.3	177.3	105.1	0	0	110.3
47	Q	25.9	Very low	27.5	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.794	77%	0.774	S	S	*	*			cis	77.2	147	37	-81.9	-156.7	86.2	0	0	118
48	A	27.6	Very low	27.6	Very low	108 Å²	108	138.1 Å²	138.1	89%	0.893	77%	0.768	S	S	*	*			trans	63.7	154.4	-177.5	0	0	0	0	0	118.3
49	G	26	Very low	27.5	Very low	62 Å²	62	136.2 Å²	136.2	64%	0.639	77%	0.767	S	S	*	*			cis	167.2	127.1	-14.4	0	0	0	0	0	116.4
50	T	24.4	Very low	27.6	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	78%	0.775	S	S	*	*			trans	58.8	125.9	142.8	52.6	0	0	0	0	124.1
51	N	23.7	Very low	27.9	Very low	161 Å²	161	139.3 Å²	139.3	86%	0.861	77%	0.769	S	S	*	*			trans	79.7	156	133.6	-59.3	-14.5	0	0	0	122.3
52	G	28	Very low	28.1	Very low	73 Å²	73	138.4 Å²	138.4	75%	0.753	76%	0.764	S	S	*	*			trans	96.2	102.7	-177.6	0	0	0	0	0	112
53	E	27.4	Very low	28.2	Very low	150 Å²	150	134.6 Å²	134.6	70%	0.701	76%	0.76	S	S	*	*			cis	77.8	134.6	33.1	-143.3	-150.1	173.6	0	0	115.2
54	K	27.5	Very low	28.3	Very low	155 Å²	155	136.6 Å²	136.6	67%	0.674	76%	0.763	S	S	*	*			trans	71.5	149.7	163.3	-80.9	158.7	-176.8	140.6	0	118.6
55	T	25.7	Very low	28.2	Very low	104 Å²	104	132.8 Å²	132.8	64%	0.638	76%	0.756	S	S	*	*			cis	-166.6	163.4	-23.7	10.8	0	0	0	0	110.3
56	E	28.2	Very low	28.3	Very low	165 Å²	165	130.8 Å²	130.8	77%	0.771	76%	0.76	S	S	*	*			trans	64.2	139.1	148.7	-75.6	169.1	-169.6	0	0	118.6
57	E	28.6	Very low	28.2	Very low	191 Å²	191	125.7 Å²	125.7	89%	0.893	76%	0.755	S	S	*	*				53.8	142.4	75	-59.4	-163.9	-173.5	0	0	113.9
58	G	31.3	Very low	28.4	Very low	66 Å²	66	127.3 Å²	127.3	68%	0.68	76%	0.76	S	S	*	*			cis	147	137.8	6.6	0	0	0	0	0	109.6
59	S	27.2	Very low	28.6	Very low	108 Å²	108	129 Å²	129	76%	0.755	75%	0.749	S	S	*	*			trans	-167.6	143	-174.2	170.1	0	0	0	0	113.3
60	K	30.4	Very low	28.8	Very low	171 Å²	171	134.1 Å²	134.1	74%	0.743	75%	0.753	S	S	*	*			cis	-158.3	132.1	-13.5	-102.6	166.2	-169.6	166.8	0	106.1
61	H	34.3	Very low	29.3	Very low	154 Å²	154	138.8 Å²	138.8	71%	0.713	76%	0.757	S	S	*	*				75.8	155.8	84.6	-98.8	-25.1	0	0	0	117.1
62	H	34.4	Very low	29.7	Very low	160 Å²	160	140.1 Å²	140.1	74%	0.741	76%	0.755	S	S	*	*			cis	-99.6	-107.4	12.5	-74.1	-85.4	0	0	0	117
63	S	29.1	Very low	30	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	76%	0.764	S	S	*	*			cis	-136	-122.9	8.6	62.1	0	0	0	0	114.4
64	S	29.2	Very low	30.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	76%	0.763	S	S	*	*			trans	-160.1	157.6	-159.8	51	0	0	0	0	113.8
65	S	27.5	Very low	30.6	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	76%	0.761	S	S	*	*			cis	-165.6	152.8	-16	57.1	0	0	0	0	113.2
66	S	28	Very low	31	Very low	122 Å²	122	149.2 Å²	149.2	85%	0.853	77%	0.767	S	S	*	*			trans	57	153.2	155.8	75.2	0	0	0	0	121.6
67	G	27.1	Very low	31.3	Very low	70 Å²	70	152.3 Å²	152.3	72%	0.722	77%	0.771	S	S	*	*			cis	170.5	168.2	-10.2	0	0	0	0	0	114.4
68	K	30.6	Very low	31.6	Very low	205 Å²	205	148 Å²	148	89%	0.891	76%	0.763	S	S	*	*			trans	85.4	98.4	165.4	-59	176.8	-179.7	171.5	0	122.1
69	H	32.5	Very low	31.9	Very low	144 Å²	144	153.1 Å²	153.1	67%	0.667	77%	0.766	S	S	*	*				80.1	121.7	119.1	-82.9	-11.9	0	0	0	126.5
70	K	30.6	Very low	32.5	Very low	169 Å²	169	154.4 Å²	154.4	74%	0.735	76%	0.76	S	S	*	*			trans	73.4	154.8	135.3	-62.1	163.2	176.4	157.2	0	116.1
71	R	32.9	Very low	32.7	Very low	222 Å²	222	154 Å²	154	84%	0.838	76%	0.758	S	S	*	*			cis	-160.5	143.9	23.3	-162.8	168.8	168.7	160.8	-6	114.1
72	K	33	Very low	32.7	Very low	189 Å²	189	155.2 Å²	155.2	82%	0.822	76%	0.762	S	S	*	*			trans	18.5	128.1	154.6	-58.3	-178.1	178.2	-174.6	0	121.7
73	K	33.4	Very low	32.6	Very low	215 Å²	215	155.3 Å²	155.3	94%	0.935	76%	0.762	S	S	*	*				-141.9	-172.8	129.2	-128.4	171.5	-175.3	176.3	0	110.7
74	H	33.9	Very low	32.8	Very low	148 Å²	148	156.6 Å²	156.6	69%	0.685	75%	0.753	S	S	*	*			trans	-158.9	136.4	-146.7	-155.8	44.9	0	0	0	115.2
75	K	34.3	Very low	33.1	Very low	147 Å²	147	159.7 Å²	159.7	64%	0.639	76%	0.755	S	S	*	*			trans	74.3	152.2	157.2	-63.7	176.9	162.6	159.3	0	118.2
76	H	34.7	Very low	33.2	Very low	164 Å²	164	158.3 Å²	158.3	76%	0.759	75%	0.75	S	S	*	*			cis	-158.4	-170.9	-14.8	-102.8	-30	0	0	0	106.5
77	R	33.9	Very low	33.3	Very low	229 Å²	229	157.2 Å²	157.2	86%	0.864	75%	0.749	S	S	*	*			cis	-156.2	169.7	14	-155.2	178.9	178.4	176.8	-0.2	109.4
78	S	35.3	Very low	33.4	Very low	102 Å²	102	162.5 Å²	162.5	71%	0.713	75%	0.754	S	S	*	*			trans	79.8	-132.4	156	-55.8	0	0	0	0	121.1
79	K	37.7	Very low	33.5	Very low	173 Å²	173	160.9 Å²	160.9	75%	0.752	75%	0.75	S	S	*	*				-147.6	159.4	-126.4	-86	-163.5	165.7	-177.4	0	113.7
80	H	38.8	Very low	33.4	Very low	134 Å²	134	159.8 Å²	159.8	62%	0.62	75%	0.749	S	S	*	*			cis	-157.8	155	-13	-120.5	5.6	0	0	0	109.2
81	K	35.3	Very low	33.3	Very low	163 Å²	163	159.8 Å²	159.8	71%	0.709	75%	0.749	S	S	*	*				47.5	108.3	90.2	-150	-178.2	-173.5	-179.9	0	113.4
82	K	33.9	Very low	33.4	Very low	180 Å²	180	156.3 Å²	156.3	78%	0.783	75%	0.747	S	S	*	*			cis	-150.3	146.2	3.8	-117.2	178.2	175.2	-164.1	0	107
83	H	32.7	Very low	33.2	Very low	161 Å²	161	157.2 Å²	157.2	75%	0.745	75%	0.751	S	S	*	*			cis	64.5	133.6	49.4	-86.3	-4.1	0	0	0	114.1
84	K	34.4	Very low	33.1	Very low	142 Å²	142	156.4 Å²	156.4	62%	0.617	75%	0.747	S	S	*	*			cis	-174.2	166.9	-2.3	-148.5	173.8	168.4	-146.5	0	110
85	H	33.8	Very low	32.9	Very low	173 Å²	173	161.4 Å²	161.4	80%	0.801	76%	0.76	S	S	*	*			trans	67.6	166.8	156.6	-67.4	-56.5	0	0	0	120.2
86	A	30	Very low	32.9	Very low	72 Å²	72	163.9 Å²	163.9	60%	0.595	77%	0.771	S	S	*	*			cis	172.3	151.9	-43.4	0	0	0	0	0	110.4
87	A	30.6	Very low	32.7	Very low	100 Å²	100	164.3 Å²	164.3	83%	0.826	77%	0.773	S	S	*	*			trans	61.2	166.7	164.9	0	0	0	0	0	117
88	E	29.3	Very low	32.4	Very low	181 Å²	181	163.4 Å²	163.4	85%	0.846	77%	0.77	S	S	*	*			cis	-148.7	-152.4	-48.8	-151.2	167.8	-144.5	0	0	108.2
89	E	31.8	Very low	32.1	Very low	170 Å²	170	166.9 Å²	166.9	79%	0.794	77%	0.774	S	S	*	*			trans	-44	149.4	-171.9	-42.9	-174.8	126.6	0	0	117.8
90	D	30.2	Very low	31.8	Very low	122 Å²	122	166.9 Å²	166.9	65%	0.652	77%	0.774	S	S	*	*				-166.6	160.4	107	-139	2.5	0	0	0	118.8
91	K	29.1	Very low	31.6	Very low	168 Å²	168	167.9 Å²	167.9	73%	0.73	78%	0.779	S	S	*	*			trans	-12.4	159.2	169	-70.9	156.8	-159.6	80.9	0	124.4
92	D	35.9	Very low	31.4	Very low	150 Å²	150	169.9 Å²	169.9	80%	0.802	78%	0.782	S	S	*	*			trans	-50.9	155.1	166.5	-72.5	-88.9	0	0	0	117.9
93	K	29	Very low	31.2	Very low	208 Å²	208	168.5 Å²	168.5	90%	0.904	78%	0.776	S	S	*	*				-168.8	145.3	120	-103.8	149.2	-171.1	169.1	0	115.9
94	K	30	Very low	31.3	Very low	197 Å²	197	167.7 Å²	167.7	86%	0.857	77%	0.772	S	S	*	*			trans	-74.4	140.9	166.8	-60.7	165.6	-179	165.9	0	110.9
95	R	29.9	Very low	31.2	Very low	254 Å²	254	168.3 Å²	168.3	96%	0.958	78%	0.775	S	S	*	*				-178.8	167.2	120.1	-100.3	173.6	179.8	-159.7	-0	113.8
96	K	35.1	Very low	31.2	Very low	198 Å²	198	169.6 Å²	169.6	86%	0.861	77%	0.773	S	S	*	*			trans	-106.8	141.7	-166.4	-54.7	172	-178.9	175.6	0	113
97	H	30.1	Very low	31.2	Very low	173 Å²	173	173.2 Å²	173.2	80%	0.801	78%	0.775	S	S	*	*			trans	-156.8	146.2	160.1	-102.4	14.3	0	0	0	109.8
98	R	27.7	Very low	31	Very low	210 Å²	210	174.9 Å²	174.9	79%	0.792	77%	0.766	S	S	*	*			cis	-157.6	154.6	-12	-157.9	167.9	70.2	-176.6	2.7	110.4
99	H	29.5	Very low	30.8	Very low	175 Å²	175	171.9 Å²	171.9	81%	0.81	76%	0.76	S	S	*	*			trans	-68	152.5	177.4	-81.4	-82.3	0	0	0	115.2
100	K	31.5	Very low	30.5	Very low	173 Å²	173	169 Å²	169	75%	0.752	76%	0.759	S	S	*	*				166.6	158.5	118.1	-81.3	157.7	-176.8	-178.9	0	107.5
101	H	34	Very low	30.1	Very low	156 Å²	156	168.6 Å²	168.6	72%	0.722	77%	0.765	S	S	*	*			cis	-126.4	151.7	19.2	-87.4	-107.1	0	0	0	110.7
102	R	30.6	Very low	31.1	Very low	205 Å²	205	166.7 Å²	166.7	77%	0.774	77%	0.77	S	S	*	*				60.8	136.6	66.5	-80.8	-172.6	67.9	164.3	-0.4	114.4
103	K	29.2	Very low	30.5	Very low	150 Å²	150	163.5 Å²	163.5	65%	0.652	77%	0.765	S	S	*	*			cis	-174.2	155	-19.3	-146.3	175.8	172.5	-166.5	0	109.3
104	H	35.8	Very low	30.3	Very low	144 Å²	144	162 Å²	162	67%	0.667	76%	0.761	S	S	*	*			trans	71.4	158.5	162	-63.6	-55.7	0	0	0	117.3
105	K	33.2	Very low	29.9	Very low	156 Å²	156	161 Å²	161	68%	0.678	76%	0.759	S	S	*	*			cis	-154.7	133	8.3	-144	170.1	-177.6	179.5	0	113.9
106	R	32.4	Very low	29.7	Very low	200 Å²	200	153 Å²	153	76%	0.755	75%	0.747	S	S	*	*			trans	60.8	163.7	148.8	-78.2	176.8	176.4	178.4	-4.9	117.5
107	K	30.2	Very low	29.9	Very low	147 Å²	147	148.3 Å²	148.3	64%	0.639	74%	0.737	S	S	*	*			cis	-146	164.7	-3.8	-121.2	162.9	159.9	-113.7	0	105.1
108	E	26.5	Very low	29.7	Very low	136 Å²	136	149.8 Å²	149.8	64%	0.636	74%	0.741	S	S	*	*			cis	-151.6	-171	23.2	-157.3	89.8	-119.9	0	0	109.8
109	T	25.3	Very low	29.7	Very low	118 Å²	118	143 Å²	143	72%	0.724	74%	0.737	S	S	*	*			trans	-68.9	177.6	178.4	55	0	0	0	0	113.9
110	S	25.3	Very low	29.8	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	74%	0.738	S	S	*	*			cis	-162.5	161.3	14.4	4.5	0	0	0	0	112.8
111	S	23.1	Very low	29.8	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	74%	0.739	S	S	*	*			trans	-113.8	-179.7	146.1	-40	0	0	0	0	107.9
112	P	49.3	Very low	29.5	Very low	128 Å²	128	132.3 Å²	132.3	83%	0.831	74%	0.737	S	S	*	*			cis	-121.6	-174	-38.7	39.6	-24.9	0	0	0	111.6
113	A	23.7	Very low	29.6	Very low	84 Å²	84	128.7 Å²	128.7	69%	0.694	73%	0.734	S	S	*	*			trans	-164.1	151.5	155.1	0	0	0	0	0	107.3
114	E	23.1	Very low	29.9	Very low	176 Å²	176	132.2 Å²	132.2	82%	0.822	74%	0.743	S	S	*	*			cis	66.7	131.7	36.5	-62.7	176.4	178.2	0	0	112.3
115	E	22.4	Very low	29.7	Very low	177 Å²	177	131.4 Å²	131.4	83%	0.827	74%	0.737	S	S	*	*			cis	-158.9	167.2	-1.7	-139	-172.2	-175.5	0	0	110.9
116	A	26.5	Very low	29.8	Very low	84 Å²	84	130.5 Å²	130.5	69%	0.694	74%	0.744	S	S	*	*			trans	65.3	-177.8	153.1	0	0	0	0	0	118.5
117	P	37.7	Very low	29.7	Very low	100 Å²	100	128.3 Å²	128.3	65%	0.649	74%	0.743	S	S	*	*				-136.6	-178.3	-71.2	42.3	-28.5	0	0	0	115.4
118	F	26.3	Very low	29.7	Very low	204 Å²	204	126.5 Å²	126.5	90%	0.895	75%	0.749	S	S	*	*			trans	45.5	117.4	164.4	-65.5	-74.1	0	0	0	118
119	G	28.6	Very low	29.8	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	76%	0.757	S	S	*	*				115.8	166.5	51.2	0	0	0	0	0	108.9
120	S	30.7	Very low	30.5	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	76%	0.763	S	S	*	*			cis	-171.8	153.3	-11.2	-83.1	0	0	0	0	106.1
121	A	31.1	Very low	30.9	Very low	93 Å²	93	126.3 Å²	126.3	77%	0.769	76%	0.764	S	S	*	*			cis	-165	168.7	-10.4	0	0	0	0	0	106.3
122	G	29.3	Very low	31.6	Very low	67 Å²	67	126.2 Å²	126.2	69%	0.691	76%	0.763	S	S	*	*			cis	145.6	-148.1	6	0	0	0	0	0	112.2
123	N	32.9	Very low	30.8	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	76%	0.756	S	S	*	*			trans	70.2	147.8	166.1	-63.2	-20.5	0	0	0	119.7
124	R	34.9	Very low	31.7	Very low	223 Å²	223	127 Å²	127	84%	0.842	77%	0.765	S	S	*	*			cis	-173.6	170.7	-16.1	-103.2	170.6	-157.8	-125.9	-3.5	105.8
125	K	31.4	Very low	32.8	Very low	127 Å²	127	123 Å²	123	55%	0.552	75%	0.754	S	S	*	*			cis	-174.2	123.8	-25.4	169.7	-87.9	-172	174.5	0	104.9	E127	K125-E127 VanDerWaalsContact CE-CD 3.47Å; K125-E127 WeakPolarHBondContact CE-OE1 3.45Å; K125-E127 IonicContact NZ-OE1 2.7Å; K125-E127 PolarHBondContact NZ-OE1 2.79Å; K125-E127 IonicContact NZ-OE2 2.74Å; K125-E127 PolarHBondContact NZ-OE2 3.44Å
126	V	34.5	Very low	34.4	Very low	137 Å²	137	117.1 Å²	117.1	83%	0.83	73%	0.732	S	S	*	*			cis	89.4	100.9	28.7	-174.7	0	0	0	0	114.4
127	E	30.5	Very low	35.6	Very low	155 Å²	155	120.1 Å²	120.1	72%	0.724	74%	0.736	S	S	*	*			trans	-171.8	145.3	166.9	-110.8	157.5	-145.5	0	0	107.7	K125	K125-E127 VanDerWaalsContact CE-CD 3.47Å; K125-E127 WeakPolarHBondContact CE-OE1 3.45Å; K125-E127 IonicContact NZ-OE1 2.7Å; K125-E127 PolarHBondContact NZ-OE1 2.79Å; K125-E127 IonicContact NZ-OE2 2.74Å; K125-E127 PolarHBondContact NZ-OE2 3.44Å
128	S	30.9	Very low	36.5	Very low	108 Å²	108	120.7 Å²	120.7	76%	0.755	73%	0.734	S	S	*	*			cis	-163.9	142.6	-15.8	48.9	0	0	0	0	110.6
129	S	27.9	Very low	38	Very low	116 Å²	116	115.1 Å²	115.1	81%	0.811	71%	0.713	S	S	*	*			trans	-143.7	142.8	166.2	-62.2	0	0	0	0	109.8
130	P	41.5	Very low	39.6	Very low	131 Å²	131	120.4 Å²	120.4	85%	0.851	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-77.7	159.7	-175.6	31	-35	0	0	0	113.7
131	S	33.3	Very low	41.2	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-79	151	-175.6	-174.6	0	0	0	0	113.6
132	S	36.9	Very low	43	Very low	110 Å²	110	116.9 Å²	116.9	77%	0.769	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-60.5	129.8	158.9	51.4	0	0	0	0	111.3
133	G	33.6	Very low	44.8	Very low	66 Å²	66	118.7 Å²	118.7	68%	0.68	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-88.3	153.9	153.1	0	0	0	0	0	110
134	N	42.5	Very low	46.8	Very low	163 Å²	163	117.6 Å²	117.6	87%	0.872	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-73.8	134.7	163.1	-73.4	-40.8	0	0	0	108.2
135	P	45	Very low	48.9	Very low	91 Å²	91	111.1 Å²	111.1	59%	0.591	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65	153	177.3	27.6	-34.5	0	0	0	111.3	D139	P135-D139 HydrophobicContact CB-CB 3.81Å
136	S	56.2	Low	51.1	Low	55 Å²	55	109.4 Å²	109.4	39%	0.385	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-63.6	165.8	174.6	-164.8	0	0	0	0	111.6	D138 D139 R140	S136-D138 WeakPolarHBondContact CB-OD2 3.31Å; S136-D138 PolarHBondContact O-N 2.76Å; S136-D138 PolarHBondContact OG-OD2 2.89Å; S136-D139 PolarHBondContact N-OD2 2.67Å; S136-D139 PolarHBondContact O-N 2.87Å; S136-R140 PolarHBondContact O-N 3.03Å
137	L	51.2	Low	53.1	Low	146 Å²	146	109.7 Å²	109.7	76%	0.764	64%	0.635	S	S	*	*	H	α-helix	trans	-62.1	-29.7	166.1	-71	171	0	0	0	111.1	R140 A141	L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 3.07Å; L137-A141 PolarHBondContact O-N 2.97Å
138	D	58.3	Low	55.4	Low	113 Å²	113	107.1 Å²	107.1	60%	0.604	62%	0.622	S	S	*	*	H	α-helix	trans	-70.9	-46.3	178.2	-39.9	-71.2	0	0	0	111.5	S136 R140 A141 V142	S136-D138 WeakPolarHBondContact CB-OD2 3.31Å; S136-D138 PolarHBondContact O-N 2.76Å; S136-D138 PolarHBondContact OG-OD2 2.89Å; D138-R140 PolarHBondContact O-N 3.47Å; D138-A141 WeakPolarHBondContact O-CB 3.5Å; D138-A141 PolarHBondContact O-N 3.15Å; D138-V142 WeakPolarHBondContact O-CG2 3.4Å; D138-V142 PolarHBondContact O-N 2.96Å
139	D	57.8	Low	57.6	Low	86 Å²	86	107.6 Å²	107.6	46%	0.46	61%	0.612	S	S	.	*	H	α-helix	trans	-54.9	-35.6	172.3	-64.8	-42.2	0	0	0	111.6	P135 S136 L143	P135-D139 HydrophobicContact CB-CB 3.81Å; S136-D139 PolarHBondContact N-OD2 2.67Å; S136-D139 PolarHBondContact O-N 2.87Å; D139-L143 WeakPolarHBondContact O-CB 3.45Å; D139-L143 PolarHBondContact O-N 3.43Å
140	R	60.6	Low	60	Low	181 Å²	181	111.5 Å²	111.5	68%	0.683	61%	0.609	S	S	*	*	H	α-helix	trans	-73.4	-35.4	178.4	-167.9	174.4	-175.5	144	4.2	112.5	S136 L137 D138 E144	S136-R140 PolarHBondContact O-N 3.03Å; L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 3.07Å; D138-R140 PolarHBondContact O-N 3.47Å; R140-E144 PolarHBondContact O-N 3.37Å
141	A	64.2	Low	61.6	Low	50 Å²	50	108.2 Å²	108.2	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-68.2	-42.8	171.7	0	0	0	0	0	111.3	L137 D138 L143 E144 D145	L137-A141 PolarHBondContact O-N 2.97Å; D138-A141 WeakPolarHBondContact O-CB 3.5Å; D138-A141 PolarHBondContact O-N 3.15Å; A141-L143 VanDerWaalsContact C-N 3.33Å; A141-L143 PolarHBondContact O-N 3.32Å; A141-E144 PolarHBondContact O-N 3.25Å; A141-E144 VanDerWaalsContact O-N 3.12Å; A141-D145 PolarHBondContact O-N 3Å
142	V	70.4	Confident	63.6	Low	86 Å²	86	108.7 Å²	108.7	52%	0.521	59%	0.586	S	S	.	*	H	α-helix	trans	-59.8	-41.7	173.9	172.3	0	0	0	0	111.2	D138 D145 L146	D138-V142 WeakPolarHBondContact O-CG2 3.4Å; D138-V142 PolarHBondContact O-N 2.96Å; V142-D145 PolarHBondContact O-N 3.43Å; V142-L146 HydrophobicContact CG1-CD1 3.95Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CB 3.36Å; V142-L146 VanDerWaalsContact O-CG 3.24Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.3Å
143	L	67.3	Low	65.5	Low	106 Å²	106	109 Å²	109	56%	0.555	58%	0.577	S	S	*	*	H	α-helix	trans	-61.9	-42.4	172.6	-90.2	163.2	0	0	0	112.8	D139 A141 L146 E147	D139-L143 WeakPolarHBondContact O-CB 3.45Å; D139-L143 PolarHBondContact O-N 3.43Å; A141-L143 VanDerWaalsContact C-N 3.33Å; A141-L143 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 3.38Å; L143-E147 PolarHBondContact O-N 3.35Å
144	E	75.1	Confident	67.4	Low	107 Å²	107	111.8 Å²	111.8	50%	0.5	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-36.8	179.3	-151.6	-167.9	118.3	0	0	112.1	R140 A141 E147 K148	R140-E144 PolarHBondContact O-N 3.37Å; A141-E144 PolarHBondContact O-N 3.25Å; A141-E144 VanDerWaalsContact O-N 3.12Å; E144-E147 PolarHBondContact O-N 2.98Å; E144-K148 WeakPolarHBondContact O-CE 3.4Å; E144-K148 VanDerWaalsContact O-CG 3.3Å; E144-K148 WeakPolarHBondContact O-CG 3.49Å; E144-K148 PolarHBondContact O-N 2.68Å; E144-K148 WeakPolarHBondContact OE1-CE 3.5Å; E144-K148 IonicContact OE1-NZ 3.56Å; E144-K148 PolarHBondContact OE1-NZ 2.69Å
145	D	78.1	Confident	69	Low	86 Å²	86	106.4 Å²	106.4	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-75.1	-33	175.5	-78.9	1.9	0	0	0	112.6	A141 V142 E147 K148 Q149	A141-D145 PolarHBondContact O-N 3Å; V142-D145 PolarHBondContact O-N 3.43Å; D145-E147 VanDerWaalsContact C-N 3.35Å; D145-K148 PolarHBondContact O-N 3.03Å; D145-K148 WeakPolarHBondContact OD1-CD 3.42Å; D145-K148 WeakPolarHBondContact OD1-CE 3.46Å; D145-K148 IonicContact OD1-NZ 3.59Å; D145-K148 PolarHBondContact OD1-NZ 3.06Å; D145-Q149 WeakPolarHBondContact O-CG 3.25Å; D145-Q149 PolarHBondContact O-N 3.45Å
146	L	76.9	Confident	70.4	Confident	92 Å²	92	106.3 Å²	106.3	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-64.5	-37.6	167.9	-75.3	169.5	0	0	0	111.7	V142 L143 R150	V142-L146 HydrophobicContact CG1-CD1 3.95Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CB 3.36Å; V142-L146 VanDerWaalsContact O-CG 3.24Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.3Å; L143-L146 PolarHBondContact O-N 3.38Å; L146-R150 WeakPolarHBondContact O-CB 3.46Å; L146-R150 PolarHBondContact O-N 2.81Å
147	E	76.3	Confident	70.9	Confident	142 Å²	142	108.2 Å²	108.2	66%	0.664	55%	0.546	S	S	*	.	H	α-helix	trans	-66.5	-38.4	171.8	-75.1	-160.8	133.2	0	0	112.2	L143 E144 D145 R150 A151	L143-E147 PolarHBondContact O-N 3.35Å; E144-E147 PolarHBondContact O-N 2.98Å; D145-E147 VanDerWaalsContact C-N 3.35Å; E147-R150 PolarHBondContact O-N 3.3Å; E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 2.72Å
148	K	79.8	Confident	71.6	Confident	102 Å²	102	104.6 Å²	104.6	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-46.9	172.7	-69.4	162.1	-149.6	159.8	0	111.8	E144 D145 R150 A151 L152	E144-K148 WeakPolarHBondContact O-CE 3.4Å; E144-K148 VanDerWaalsContact O-CG 3.3Å; E144-K148 WeakPolarHBondContact O-CG 3.49Å; E144-K148 PolarHBondContact O-N 2.68Å; E144-K148 WeakPolarHBondContact OE1-CE 3.5Å; E144-K148 IonicContact OE1-NZ 3.56Å; E144-K148 PolarHBondContact OE1-NZ 2.69Å; D145-K148 PolarHBondContact O-N 3.03Å; D145-K148 WeakPolarHBondContact OD1-CD 3.42Å; D145-K148 WeakPolarHBondContact OD1-CE 3.46Å; D145-K148 IonicContact OD1-NZ 3.59Å; D145-K148 PolarHBondContact OD1-NZ 3.06Å; K148-R150 VanDerWaalsContact C-N 3.32Å; K148-R150 PolarHBondContact O-N 2.85Å; K148-A151 PolarHBondContact O-N 2.85Å; K148-L152 WeakPolarHBondContact O-CB 3.5Å; K148-L152 PolarHBondContact O-N 3.1Å
149	Q	77.2	Confident	72.1	Confident	117 Å²	117	103.9 Å²	103.9	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-43.3	174.5	-74.3	-178.8	-1.7	0	0	111.3	D145 A151 L152 I153	D145-Q149 WeakPolarHBondContact O-CG 3.25Å; D145-Q149 PolarHBondContact O-N 3.45Å; Q149-A151 VanDerWaalsContact C-N 3.34Å; Q149-A151 PolarHBondContact O-N 3.47Å; Q149-L152 PolarHBondContact O-N 3.46Å; Q149-I153 WeakPolarHBondContact O-CB 3.42Å; Q149-I153 VanDerWaalsContact O-CG1 3.31Å; Q149-I153 WeakPolarHBondContact O-CG1 3.4Å; Q149-I153 PolarHBondContact O-N 3.43Å
150	R	78.1	Confident	72.3	Confident	199 Å²	199	102.9 Å²	102.9	75%	0.751	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-33.1	178.2	-162.5	172	-164.2	-87.1	-2.2	112.8	L146 E147 K148 K154	L146-R150 WeakPolarHBondContact O-CB 3.46Å; L146-R150 PolarHBondContact O-N 2.81Å; E147-R150 PolarHBondContact O-N 3.3Å; K148-R150 VanDerWaalsContact C-N 3.32Å; K148-R150 PolarHBondContact O-N 2.85Å; R150-K154 WeakPolarHBondContact O-CB 3.16Å; R150-K154 PolarHBondContact O-N 3.33Å
151	A	74.4	Confident	72	Confident	61 Å²	61	99.5 Å²	99.5	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-70.9	-38.9	171.7	0	0	0	0	0	112.2	E147 K148 Q149 K154 A155	E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 2.72Å; K148-A151 PolarHBondContact O-N 2.85Å; Q149-A151 VanDerWaalsContact C-N 3.34Å; Q149-A151 PolarHBondContact O-N 3.47Å; A151-K154 WeakPolarHBondContact O-CB 3.49Å; A151-K154 PolarHBondContact O-N 3.05Å; A151-A155 PolarHBondContact O-N 2.83Å
152	L	75.7	Confident	71.3	Confident	124 Å²	124	105.2 Å²	105.2	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-69.9	-44.3	179.1	-163.8	153	0	0	0	111.6	K148 Q149 K154 A155 E156	K148-L152 WeakPolarHBondContact O-CB 3.5Å; K148-L152 PolarHBondContact O-N 3.1Å; Q149-L152 PolarHBondContact O-N 3.46Å; L152-K154 PolarHBondContact O-N 2.67Å; L152-A155 PolarHBondContact O-N 3.49Å; L152-E156 WeakPolarHBondContact O-CB 3.49Å; L152-E156 PolarHBondContact O-N 3.14Å
153	I	76.6	Confident	70.3	Confident	116 Å²	116	106.9 Å²	106.9	60%	0.595	53%	0.534	S	S	*	.	H	α-helix	trans	-59.5	-37.1	171.8	-68.5	165.2	0	0	0	110.9	Q149 L157	Q149-I153 WeakPolarHBondContact O-CB 3.42Å; Q149-I153 VanDerWaalsContact O-CG1 3.31Å; Q149-I153 WeakPolarHBondContact O-CG1 3.4Å; Q149-I153 PolarHBondContact O-N 3.43Å; I153-L157 WeakPolarHBondContact O-CB 3.48Å; I153-L157 PolarHBondContact O-N 3.31Å
154	K	74.9	Confident	69.2	Low	124 Å²	124	104.6 Å²	104.6	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-43.9	175.3	-174	-177.2	178.8	-56.2	0	112	R150 A151 L152 E156 L157 D158	R150-K154 WeakPolarHBondContact O-CB 3.16Å; R150-K154 PolarHBondContact O-N 3.33Å; A151-K154 WeakPolarHBondContact O-CB 3.49Å; A151-K154 PolarHBondContact O-N 3.05Å; L152-K154 PolarHBondContact O-N 2.67Å; K154-E156 VanDerWaalsContact C-N 3.32Å; K154-L157 PolarHBondContact O-N 3.17Å; K154-D158 IonicContact NZ-OD2 2.96Å; K154-D158 PolarHBondContact NZ-OD2 3.39Å; K154-D158 WeakPolarHBondContact O-CB 3.44Å; K154-D158 PolarHBondContact O-N 3.13Å
155	A	74.8	Confident	67.9	Low	51 Å²	51	106.8 Å²	106.8	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-38.6	177.1	0	0	0	0	0	112	A151 L152 D158 N159	A151-A155 PolarHBondContact O-N 2.83Å; L152-A155 PolarHBondContact O-N 3.49Å; A155-D158 PolarHBondContact O-N 3.37Å; A155-N159 WeakPolarHBondContact O-CB 3.49Å; A155-N159 PolarHBondContact O-N 3.13Å
156	E	75.2	Confident	66.2	Low	89 Å²	89	105.7 Å²	105.7	42%	0.416	54%	0.539	S	S	.	.	H	α-helix	trans	-65.1	-43.8	173.6	-178	54.9	-153.3	0	0	111.7	L152 K154 N159 Q160	L152-E156 WeakPolarHBondContact O-CB 3.49Å; L152-E156 PolarHBondContact O-N 3.14Å; K154-E156 VanDerWaalsContact C-N 3.32Å; E156-N159 WeakPolarHBondContact O-CB 3.2Å; E156-N159 PolarHBondContact O-N 3.01Å; E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 2.96Å; E156-Q160 PolarHBondContact OE1-NE2 3Å
157	L	67.1	Low	64.6	Low	94 Å²	94	107.2 Å²	107.2	49%	0.492	54%	0.544	S	S	.	.	H	α-helix	trans	-64.4	-40.4	174.9	-169.1	70.7	0	0	0	112.2	I153 K154 Q160 L161	I153-L157 WeakPolarHBondContact O-CB 3.48Å; I153-L157 PolarHBondContact O-N 3.31Å; K154-L157 PolarHBondContact O-N 3.17Å; L157-Q160 PolarHBondContact O-N 3.15Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 PolarHBondContact O-N 2.92Å
158	D	65.1	Low	63.1	Low	71 Å²	71	104.4 Å²	104.4	38%	0.38	54%	0.54	S	S	.	.	H	α-helix	trans	-66.4	-36.8	175.8	-72.2	-33.4	0	0	0	110.8	K154 A155 L161 M162	K154-D158 IonicContact NZ-OD2 2.96Å; K154-D158 PolarHBondContact NZ-OD2 3.39Å; K154-D158 WeakPolarHBondContact O-CB 3.44Å; K154-D158 PolarHBondContact O-N 3.13Å; A155-D158 PolarHBondContact O-N 3.37Å; D158-L161 WeakPolarHBondContact O-CB 3.35Å; D158-L161 PolarHBondContact O-N 2.81Å; D158-M162 VanDerWaalsContact O-CG 3.29Å; D158-M162 WeakPolarHBondContact O-CG 3.41Å; D158-M162 PolarHBondContact O-N 2.86Å; D158-M162 VanDerWaalsContact O-N 3.08Å
159	N	69.9	Low	61.3	Low	97 Å²	97	101.2 Å²	101.2	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-48.5	170.2	-81.6	-16.6	0	0	0	112.2	A155 E156 L161 M162 E163	A155-N159 WeakPolarHBondContact O-CB 3.49Å; A155-N159 PolarHBondContact O-N 3.13Å; E156-N159 WeakPolarHBondContact O-CB 3.2Å; E156-N159 PolarHBondContact O-N 3.01Å; N159-L161 PolarHBondContact O-N 2.86Å; N159-M162 CarbonylContact O-C 3.59Å; N159-M162 WeakPolarHBondContact O-CA 3.33Å; N159-M162 WeakPolarHBondContact O-CB 3.09Å; N159-M162 PolarHBondContact O-N 2.96Å; N159-E163 PolarHBondContact O-N 3.48Å
160	Q	61.3	Low	59.5	Low	66 Å²	66	99.4 Å²	99.4	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-25.6	178.6	-69.1	177.1	17	0	0	112.9	E156 L157 G164 K165 V166	E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 2.96Å; E156-Q160 PolarHBondContact OE1-NE2 3Å; L157-Q160 PolarHBondContact O-N 3.15Å; Q160-G164 PolarHBondContact O-N 3.07Å; Q160-K165 PolarHBondContact O-N 3.07Å; Q160-K165 VanDerWaalsContact O-N 3.15Å; Q160-V166 HydrophobicContact CB-CG2 3.98Å
161	L	53.9	Low	57.5	Low	110 Å²	110	91.8 Å²	91.8	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-70.4	-42	169.9	-147.1	80.5	0	0	0	111.6	L157 D158 N159 G164	L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 PolarHBondContact O-N 2.92Å; D158-L161 WeakPolarHBondContact O-CB 3.35Å; D158-L161 PolarHBondContact O-N 2.81Å; N159-L161 PolarHBondContact O-N 2.86Å; L161-G164 PolarHBondContact O-N 3.09Å; L161-G164 VanDerWaalsContact O-N 3.15Å
162	M	49.3	Very low	55.9	Low	170 Å²	170	93.5 Å²	93.5	84%	0.837	51%	0.512	S	S	*	.	H	α-helix	trans	-70.1	-30.7	176.4	-68.9	-72.4	-72.1	0	0	112.9	D158 N159 G164	D158-M162 VanDerWaalsContact O-CG 3.29Å; D158-M162 WeakPolarHBondContact O-CG 3.41Å; D158-M162 PolarHBondContact O-N 2.86Å; D158-M162 VanDerWaalsContact O-N 3.08Å; N159-M162 CarbonylContact O-C 3.59Å; N159-M162 WeakPolarHBondContact O-CA 3.33Å; N159-M162 WeakPolarHBondContact O-CB 3.09Å; N159-M162 PolarHBondContact O-N 2.96Å; M162-G164 VanDerWaalsContact C-N 3.25Å; M162-G164 PolarHBondContact O-N 2.76Å
163	E	48.7	Very low	54.5	Low	121 Å²	121	89.6 Å²	89.6	57%	0.565	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.5	169.8	-67.9	-166.6	159	0	0	113.6	N159 K165	N159-E163 PolarHBondContact O-N 3.48Å; E163-K165 VanDerWaalsContact C-N 3.25Å; E163-K165 HydrophobicContact CB-CD 4.31Å; E163-K165 HydrophobicContact CB-CG 4.35Å; E163-K165 PolarHBondContact O-N 2.74Å; E163-K165 WeakPolarHBondContact OE2-CD 3.46Å; E163-K165 VanDerWaalsContact OE2-CE 3.23Å; E163-K165 WeakPolarHBondContact OE2-CE 3.32Å; E163-K165 IonicContact OE2-NZ 3.27Å; E163-K165 PolarHBondContact OE2-NZ 3.29Å
164	G	44.8	Very low	52.9	Low	58 Å²	58	86 Å²	86	60%	0.598	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	12.3	176	0	0	0	0	0	115.6	Q160 L161 M162	Q160-G164 PolarHBondContact O-N 3.07Å; L161-G164 PolarHBondContact O-N 3.09Å; L161-G164 VanDerWaalsContact O-N 3.15Å; M162-G164 VanDerWaalsContact C-N 3.25Å; M162-G164 PolarHBondContact O-N 2.76Å
165	K	47.8	Very low	51	Low	153 Å²	153	85.8 Å²	85.8	67%	0.665	47%	0.474	S	S	*	.			trans	-79.1	-18.2	-175.3	-70.8	172.8	-178.5	164.5	0	113.9	Q160 E163	Q160-K165 PolarHBondContact O-N 3.07Å; Q160-K165 VanDerWaalsContact O-N 3.15Å; E163-K165 VanDerWaalsContact C-N 3.25Å; E163-K165 HydrophobicContact CB-CD 4.31Å; E163-K165 HydrophobicContact CB-CG 4.35Å; E163-K165 PolarHBondContact O-N 2.74Å; E163-K165 WeakPolarHBondContact OE2-CD 3.46Å; E163-K165 VanDerWaalsContact OE2-CE 3.23Å; E163-K165 WeakPolarHBondContact OE2-CE 3.32Å; E163-K165 IonicContact OE2-NZ 3.27Å; E163-K165 PolarHBondContact OE2-NZ 3.29Å
166	V	42.8	Very low	49	Very low	62 Å²	62	85.2 Å²	85.2	38%	0.376	47%	0.473	S	S	.	.			trans	-114.1	101.1	-176.1	-176.8	0	0	0	0	111	Q160	Q160-V166 HydrophobicContact CB-CG2 3.98Å
167	Q	42.3	Very low	47.2	Very low	125 Å²	125	84.2 Å²	84.2	58%	0.584	47%	0.466	S	S	*	.			trans	-80.5	123.7	167.8	-69	-174.8	-10.6	0	0	110.3	G169	Q167-G169 PolarHBondContact O-N 2.76Å
168	S	44.7	Very low	45.6	Very low	82 Å²	82	84 Å²	84	57%	0.573	47%	0.465	S	S	*	.			trans	-59.8	134.5	171.5	173.1	0	0	0	0	110.8	M170 G171	S168-M170 PolarHBondContact O-N 3.11Å; S168-M170 VanDerWaalsContact O-N 3.09Å; S168-G171 WeakPolarHBondContact O-CA 3.41Å; S168-G171 PolarHBondContact O-N 3.5Å
169	G	42.9	Very low	44.1	Very low	35 Å²	35	86 Å²	86	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-58.7	-25.1	-176.5	0	0	0	0	0	114.8	Q167 G171 I173	Q167-G169 PolarHBondContact O-N 2.76Å; G169-G171 VanDerWaalsContact C-N 3.3Å; G169-G171 PolarHBondContact O-N 3.43Å; G169-I173 WeakPolarHBondContact O-CG1 3.39Å; G169-I173 PolarHBondContact O-N 2.85Å
170	M	39.8	Very low	42.2	Very low	80 Å²	80	84.9 Å²	84.9	39%	0.394	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-30.6	171.1	-69.5	-178.7	119.7	0	0	112.8	S168 L174 D852	S168-M170 PolarHBondContact O-N 3.11Å; S168-M170 VanDerWaalsContact O-N 3.09Å; M170-L174 PolarHBondContact O-N 3.27Å; M170-D852 HydrophobicContact CE-CB 4.24Å; M170-D852 HydrophobicContact SD-CB 4.3Å
171	G	36	Very low	40.8	Very low	38 Å²	38	87.2 Å²	87.2	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-44.1	178.6	0	0	0	0	0	112.3	S168 G169 L174 Q175	S168-G171 WeakPolarHBondContact O-CA 3.41Å; S168-G171 PolarHBondContact O-N 3.5Å; G169-G171 VanDerWaalsContact C-N 3.3Å; G169-G171 PolarHBondContact O-N 3.43Å; G171-L174 CarbonylContact O-C 3.54Å; G171-L174 PolarHBondContact O-N 3.43Å; G171-L174 VanDerWaalsContact O-N 3.1Å; G171-Q175 PolarHBondContact O-N 3.04Å
172	L	41.2	Very low	39.8	Very low	97 Å²	97	91.3 Å²	91.3	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-41.6	177.3	-79.6	164.9	0	0	0	112.4	L174 Q175	L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 2.84Å; L172-Q175 PolarHBondContact O-N 3.3Å
173	I	45.9	Very low	39	Very low	43 Å²	43	92.2 Å²	92.2	22%	0.221	54%	0.538	C	S	.	.	H	α-helix	trans	-57.2	-42.9	172	-64.6	172.3	0	0	0	110.6	G169 Y177 F705 L731 M732	G169-I173 WeakPolarHBondContact O-CG1 3.39Å; G169-I173 PolarHBondContact O-N 2.85Å; I173-Y177 HydrophobicContact CG2-CE2 4.13Å; I173-Y177 WeakPolarHBondContact O-CD2 3.31Å; I173-F705 HydrophobicContact CG2-CE1 4.09Å; I173-F705 HydrophobicContact CG2-CZ 4.39Å; I173-L731 HydrophobicContact CD1-CD1 4.35Å; I173-L731 HydrophobicContact CD1-CD2 3.87Å; I173-L731 HydrophobicContact CD1-CG 4.08Å; I173-L731 HydrophobicContact CG1-CD2 3.89Å; I173-M732 HydrophobicContact CG1-CE 4.21Å
174	L	42	Very low	38.2	Very low	39 Å²	39	93.8 Å²	93.8	20%	0.204	55%	0.55	C	S	.	*	H	α-helix	trans	-81.4	-19	-175.6	-97.4	149.8	0	0	0	115.5	M170 G171 L172 Y177 N178 Y856	M170-L174 PolarHBondContact O-N 3.27Å; G171-L174 CarbonylContact O-C 3.54Å; G171-L174 PolarHBondContact O-N 3.43Å; G171-L174 VanDerWaalsContact O-N 3.1Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 2.84Å; L174-Y177 HydrophobicContact CD2-CD2 4.29Å; L174-Y177 HydrophobicContact CG-CD2 4.44Å; L174-Y177 PolarHBondContact O-N 3.42Å; L174-N178 PolarHBondContact O-ND2 3.48Å; L174-N178 VanDerWaalsContact O-ND2 3.14Å; L174-Y856 WeakPolarHBondContact CD1-O 3.31Å; L174-Y856 VanDerWaalsContact CD2-O 3.3Å; L174-Y856 WeakPolarHBondContact CD2-O 3.25Å
175	Q	35.4	Very low	37.4	Very low	121 Å²	121	94.2 Å²	94.2	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-39.5	171.3	-164.7	161.5	-4.8	0	0	110.6	G171 L172 Y177 N178	G171-Q175 PolarHBondContact O-N 3.04Å; L172-Q175 PolarHBondContact O-N 3.3Å; Q175-Y177 VanDerWaalsContact C-N 3.26Å; Q175-Y177 PolarHBondContact O-N 2.86Å; Q175-N178 PolarHBondContact O-N 3.24Å
176	G	31.9	Very low	36.5	Very low	38 Å²	38	94.1 Å²	94.1	39%	0.392	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-63.8	-21.5	175.5	0	0	0	0	0	115.5	N178	G176-N178 VanDerWaalsContact C-N 3.28Å; G176-N178 PolarHBondContact O-N 2.79Å
177	Y	38.5	Very low	35.7	Very low	69 Å²	69	95.9 Å²	95.9	27%	0.271	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-76.7	-5.5	175.8	-85	-79	0	0	0	114.3	I173 L174 Q175 F705 S844	I173-Y177 HydrophobicContact CG2-CE2 4.13Å; I173-Y177 WeakPolarHBondContact O-CD2 3.31Å; L174-Y177 HydrophobicContact CD2-CD2 4.29Å; L174-Y177 HydrophobicContact CG-CD2 4.44Å; L174-Y177 PolarHBondContact O-N 3.42Å; Q175-Y177 VanDerWaalsContact C-N 3.26Å; Q175-Y177 PolarHBondContact O-N 2.86Å; Y177-F705 HydrophobicContact CD2-CZ 4.11Å; Y177-F705 AromaticContact CE1-CE2 3.99Å; Y177-F705 HydrophobicContact CE1-CE2 3.99Å; Y177-F705 HydrophobicContact CE1-CZ 4.18Å; Y177-F705 HydrophobicContact CE2-CE1 4.46Å; Y177-F705 AromaticContact CE2-CE2 3.93Å; Y177-F705 HydrophobicContact CE2-CE2 3.93Å; Y177-F705 AromaticContact CE2-CZ 3.42Å; Y177-F705 HydrophobicContact CE2-CZ 3.42Å; Y177-F705 VanDerWaalsContact CE2-CZ 3.42Å; Y177-F705 AromaticContact CZ-CE2 3.45Å; Y177-F705 VanDerWaalsContact CZ-CE2 3.45Å; Y177-F705 AromaticContact CZ-CZ 3.47Å; Y177-F705 VanDerWaalsContact CZ-CZ 3.47Å; Y177-F705 VanDerWaalsContact OH-CE2 3.23Å; Y177-F705 WeakPolarHBondContact OH-CE2 3.31Å; Y177-S844 PolarHBondContact OH-OG 2.92Å
178	N	34.1	Very low	35	Very low	90 Å²	90	99.3 Å²	99.3	48%	0.481	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-99.9	-9.1	-176.6	-68.9	-60.9	0	0	0	115.1	L174 Q175 G176 R860	L174-N178 PolarHBondContact O-ND2 3.48Å; L174-N178 VanDerWaalsContact O-ND2 3.14Å; Q175-N178 PolarHBondContact O-N 3.24Å; G176-N178 VanDerWaalsContact C-N 3.28Å; G176-N178 PolarHBondContact O-N 2.79Å; N178-R860 PolarHBondContact OD1-NH2 2.85Å
179	S	33.6	Very low	34.1	Very low	113 Å²	113	104.3 Å²	104.3	79%	0.79	60%	0.597	S	S	*	*	S	Bend	trans	-112.3	38.7	-167.9	-50.8	0	0	0	0	113.6
180	G	29	Very low	33.4	Very low	73 Å²	73	113.4 Å²	113.4	75%	0.753	62%	0.62	S	S	*	*			trans	-142.2	39.1	-165.4	0	0	0	0	0	116.1
181	S	32.7	Very low	32.8	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	65%	0.646	S	S	*	*			trans	-159.8	50	172.8	69.5	0	0	0	0	115.1
182	E	31.5	Very low	32.4	Very low	196 Å²	196	119.5 Å²	119.5	92%	0.916	66%	0.663	S	S	*	*			trans	-131.2	112.5	172.5	-66.4	-167.3	155.8	0	0	112
183	E	32.8	Very low	31.7	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	68%	0.679	S	S	*	*			trans	-153	135.3	162.6	-82.6	-178.4	176.9	0	0	104.5
184	D	32	Very low	30.9	Very low	155 Å²	155	129 Å²	129	83%	0.829	70%	0.704	S	S	*	*			cis	-153.4	161.4	-14.9	-143.6	-25.9	0	0	0	109.2
185	G	29	Very low	30.4	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	73%	0.732	S	S	*	*			trans	-179.1	69.3	-173.4	0	0	0	0	0	116.1	A187	G185-A187 PolarHBondContact O-N 2.85Å
186	E	28	Very low	30.4	Very low	150 Å²	150	137.4 Å²	137.4	70%	0.701	74%	0.744	S	S	*	*			trans	-58.9	122.6	179.6	-83.7	-161.8	108.1	0	0	114	R188	E186-R188 IonicContact OE1-CZ 3.11Å; E186-R188 IonicContact OE1-NE 3.71Å; E186-R188 PolarHBondContact OE1-NE 3.3Å; E186-R188 IonicContact OE1-NH2 2.66Å; E186-R188 PolarHBondContact OE1-NH2 3.17Å
187	A	26.9	Very low	30.1	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	75%	0.746	S	S	*	*			trans	-143.5	113.8	150.9	0	0	0	0	0	109	G185	G185-A187 PolarHBondContact O-N 2.85Å
188	R	27.6	Very low	29.4	Very low	196 Å²	196	141.1 Å²	141.1	74%	0.74	77%	0.766	S	S	*	*			trans	-85.1	136.7	-179.7	-59.1	176.7	-172.9	-179.8	1.4	110.4	E186	E186-R188 IonicContact OE1-CZ 3.11Å; E186-R188 IonicContact OE1-NE 3.71Å; E186-R188 PolarHBondContact OE1-NE 3.3Å; E186-R188 IonicContact OE1-NH2 2.66Å; E186-R188 PolarHBondContact OE1-NH2 3.17Å
189	F	25.6	Very low	29	Very low	188 Å²	188	142.5 Å²	142.5	83%	0.825	78%	0.783	S	S	*	*				-169.1	-176.4	107.4	-111.4	-78.8	0	0	0	112
190	R	28.1	Very low	28.7	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	78%	0.784	S	S	*	*			trans	-91.7	152.9	-161.6	-63.3	170	171.9	165.5	-6.7	113.7
191	N	26.5	Very low	28.6	Very low	173 Å²	173	142.5 Å²	142.5	93%	0.925	78%	0.783	S	S	*	*			trans	-86.5	158.9	162.1	-80.3	-6.5	0	0	0	112
192	G	27.2	Very low	28.2	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	79%	0.786	S	S	*	*			trans	-155.2	141.8	162.9	0	0	0	0	0	110.1
193	E	27.9	Very low	28	Very low	183 Å²	183	144 Å²	144	86%	0.855	78%	0.778	S	S	*	*			trans	-95.1	-178.1	174	-61.2	-171.3	123.3	0	0	109.1
194	Q	27.8	Very low	27.6	Very low	157 Å²	157	143 Å²	143	73%	0.734	78%	0.777	S	S	*	*			cis	-158.5	168.6	33	-59.7	-177.6	23.7	0	0	113.4
195	R	33.2	Very low	27.3	Very low	213 Å²	213	140.2 Å²	140.2	80%	0.804	77%	0.77	S	S	*	*				27.3	166.3	128.9	-55.3	176.2	178.9	-157.4	-0	121.8
196	P	35.3	Very low	28.3	Very low	123 Å²	123	142.4 Å²	142.4	80%	0.799	77%	0.771	S	S	*	*				-158.4	-159.5	103.6	44.7	-25.1	0	0	0	117.4
197	R	25.4	Very low	28.2	Very low	117 Å²	117	147.5 Å²	147.5	44%	0.442	78%	0.784	S	S	.	*			trans	-74.3	175.9	179	-48.2	175	-167.9	-155.9	4.1	113.7	E540 E541	R197-E540 WeakPolarHBondContact CD-OE2 3.44Å; R197-E540 IonicContact CZ-OE2 2.75Å; R197-E540 PolarHBondContact NE-O 3.07Å; R197-E540 IonicContact NE-OE2 3.62Å; R197-E540 PolarHBondContact NE-OE2 2.86Å; R197-E540 IonicContact NH1-OE1 3.73Å; R197-E540 IonicContact NH1-OE2 3.95Å; R197-E540 PolarHBondContact NH1-OE2 3.15Å; R197-E540 VanDerWaalsContact NH2-C 3.33Å; R197-E540 PolarHBondContact NH2-O 3.19Å; R197-E541 VanDerWaalsContact NH2-C 3.31Å; R197-E541 PolarHBondContact NH2-O 2.3Å
198	G	24.2	Very low	28.2	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	78%	0.784	S	S	*	*			cis	136.2	88.6	-17.7	0	0	0	0	0	117.6
199	S	25.5	Very low	28.2	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	78%	0.784	S	S	*	*			trans	69.8	159.4	172.5	-149.3	0	0	0	0	115
200	S	26.6	Very low	28.4	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	78%	0.778	S	S	*	*			cis	-154.2	154.9	-10.7	7.1	0	0	0	0	109.2
201	G	26.4	Very low	28.3	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	78%	0.78	S	S	*	*			trans	-120.9	-173.9	-178	0	0	0	0	0	116.6
202	K	25.6	Very low	28.4	Very low	200 Å²	200	133.7 Å²	133.7	87%	0.87	77%	0.768	S	S	*	*			trans	-167.4	137.2	156.5	-97.5	153.7	-176.5	175.9	0	107.5
203	L	26.4	Very low	28.4	Very low	143 Å²	143	140.3 Å²	140.3	75%	0.749	78%	0.776	S	S	*	*			cis	83.1	106.1	48.9	-153.6	-175.1	0	0	0	113.1
204	I	25.3	Very low	28.4	Very low	167 Å²	167	136.1 Å²	136.1	86%	0.856	77%	0.767	S	S	*	*			trans	-161.7	159.7	156.1	-102.8	154.3	0	0	0	109.2
205	S	25	Very low	28.5	Very low	97 Å²	97	139 Å²	139	68%	0.678	77%	0.771	S	S	*	*			trans	-121.7	-129.6	-167	-42.4	0	0	0	0	114.2
206	P	49.5	Very low	28.4	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	77%	0.772	S	S	*	*				-123.2	170	-90.3	36.3	-22.5	0	0	0	115.3
207	R	27.1	Very low	28.1	Very low	258 Å²	258	139 Å²	139	97%	0.974	77%	0.765	S	S	*	*			trans	161.4	159.3	136	-93	167.8	171.1	-169	-1.9	113.5
208	G	25.7	Very low	28.3	Very low	79 Å²	79	137.7 Å²	137.7	81%	0.814	77%	0.773	S	S	*	*			trans	148.5	123.8	164.9	0	0	0	0	0	113.8
209	E	27.4	Very low	28.7	Very low	158 Å²	158	140.6 Å²	140.6	74%	0.738	78%	0.777	S	S	*	*			trans	-117.2	161.9	-178	-82.8	-165.6	102.5	0	0	113.8
210	K	29.5	Very low	28.8	Very low	160 Å²	160	142.9 Å²	142.9	70%	0.696	78%	0.78	S	S	*	*			trans	87.9	134	142.1	-83.8	151.3	-175.6	153.7	0	121.8
211	S	27.2	Very low	28.9	Very low	128 Å²	128	140.8 Å²	140.8	90%	0.895	78%	0.777	S	S	*	*			trans	71.3	138.2	164.4	75.9	0	0	0	0	117.8
212	G	27.3	Very low	29.2	Very low	66 Å²	66	141.8 Å²	141.8	68%	0.68	77%	0.773	S	S	*	*			cis	167.3	153.7	-13.1	0	0	0	0	0	113.9
213	K	28.5	Very low	29.5	Very low	213 Å²	213	141.4 Å²	141.4	93%	0.926	77%	0.771	S	S	*	*			trans	68.6	153.5	178.3	-54.5	170.6	-178	171.3	0	114.5
214	S	28.2	Very low	29.6	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	77%	0.774	S	S	*	*			cis	-172.4	153.1	-24	56.1	0	0	0	0	110.9
215	R	29	Very low	29.9	Very low	217 Å²	217	138.4 Å²	138.4	82%	0.819	77%	0.771	S	S	*	*			trans	70.8	129.4	157.5	-76	174.8	175.6	176.3	-1.5	115.9
216	R	30.8	Very low	30.4	Very low	218 Å²	218	138.8 Å²	138.8	82%	0.823	77%	0.774	S	S	*	*				66.9	144.5	92.4	-70.7	-167.8	172.6	179.3	-3	114
217	D	28.7	Very low	29.6	Very low	120 Å²	120	142.4 Å²	142.4	64%	0.642	78%	0.778	S	S	*	*			cis	-154.9	168.7	-5.1	-129.9	-54.9	0	0	0	112.5
218	S	31.1	Very low	30	Very low	88 Å²	88	141.1 Å²	141.1	62%	0.615	77%	0.773	S	S	*	*			trans	1.5	149.8	151.8	-57.7	0	0	0	0	124.1
219	T	31.7	Very low	30.3	Very low	130 Å²	130	148.6 Å²	148.6	80%	0.798	78%	0.777	S	S	*	*			trans	70.9	116.4	139.7	46.9	0	0	0	0	123.3
220	D	28.7	Very low	30.7	Very low	167 Å²	167	145.8 Å²	145.8	89%	0.893	77%	0.774	S	S	*	*				61.5	168.4	116.3	-151.5	2.6	0	0	0	120.3
221	G	28.6	Very low	31	Very low	71 Å²	71	149.5 Å²	149.5	73%	0.732	78%	0.784	S	S	*	*			trans	125.3	69.9	164.4	0	0	0	0	0	118.5
222	S	32.8	Very low	31.5	Very low	92 Å²	92	147.9 Å²	147.9	64%	0.643	77%	0.773	S	S	*	*			trans	-53.9	160	177.2	71.2	0	0	0	0	120.3
223	K	32	Very low	31.8	Very low	191 Å²	191	153.9 Å²	153.9	83%	0.83	78%	0.78	S	S	*	*			trans	77.3	120.5	145.7	-69.2	161.2	-177.8	169.2	0	123
224	S	28.2	Very low	32.2	Very low	117 Å²	117	148.5 Å²	148.5	82%	0.818	77%	0.769	S	S	*	*				168.1	145.8	121.3	46.7	0	0	0	0	109.4
225	V	30.8	Very low	32.6	Very low	130 Å²	130	148.9 Å²	148.9	79%	0.788	78%	0.778	S	S	*	*			cis	107.1	71.2	16.7	-175.3	0	0	0	0	115.8
226	S	34.6	Very low	32.9	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	77%	0.77	S	S	*	*				79.6	142.4	127.9	-52.1	0	0	0	0	124.7
227	K	32.9	Very low	33	Very low	188 Å²	188	142.4 Å²	142.4	82%	0.817	77%	0.768	S	S	*	*			trans	99.6	107	147	-76.7	170.5	180	169.5	0	122.5
228	R	35.7	Very low	33.1	Very low	230 Å²	230	140.9 Å²	140.9	87%	0.868	77%	0.771	S	S	*	*			trans	62.3	123.3	130.2	-68.3	179.4	162.1	-171.5	-5.3	121.8
229	R	33.2	Very low	33.1	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	78%	0.782	S	S	*	*				-179.6	134.4	103.5	-105.7	178.1	165.8	169.6	-4.5	117.4
230	S	36.3	Very low	33.1	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	78%	0.776	S	S	*	*			trans	69.2	142.1	136.1	68.7	0	0	0	0	126.2
231	R	35.4	Very low	33	Very low	239 Å²	239	142.4 Å²	142.4	90%	0.902	77%	0.77	S	S	*	*			trans	75.1	151.1	154.4	-72.4	169.7	171.9	171.2	-4.5	118.4
232	S	37.2	Very low	32.9	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	77%	0.773	S	S	*	*			cis	-176.6	163.7	-17.3	55	0	0	0	0	113.8
233	K	33.1	Very low	32.8	Very low	193 Å²	193	148.7 Å²	148.7	84%	0.839	78%	0.783	S	S	*	*			trans	72.8	162.2	159.7	-70.4	-177.8	178.2	-175.5	0	119.4
234	S	36.9	Very low	33.3	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	78%	0.778	S	S	*	*			cis	-177.7	135.6	-37.8	56.5	0	0	0	0	115.1
235	A	37.1	Very low	33.4	Very low	102 Å²	102	145 Å²	145	84%	0.843	77%	0.77	S	S	*	*			trans	64.7	164.6	157.3	0	0	0	0	0	119.5
236	D	34.4	Very low	33.4	Very low	122 Å²	122	147 Å²	147	65%	0.652	77%	0.768	S	S	*	*			cis	-161.1	162.4	2	-157.5	6.7	0	0	0	114.3
237	K	32.8	Very low	33.1	Very low	177 Å²	177	145.4 Å²	145.4	77%	0.77	77%	0.767	S	S	*	*			trans	55	174.2	161.1	-72.7	-178.3	-171	78.6	0	122.3
238	A	31.6	Very low	33.2	Very low	87 Å²	87	142.9 Å²	142.9	72%	0.719	77%	0.768	S	S	*	*			cis	-175.8	160.1	-48.9	0	0	0	0	0	113.9
239	A	30.4	Very low	33.2	Very low	102 Å²	102	141.5 Å²	141.5	84%	0.843	77%	0.768	S	S	*	*			trans	69.1	173.6	154.4	0	0	0	0	0	121.5
240	K	32	Very low	33.2	Very low	155 Å²	155	135.5 Å²	135.5	67%	0.674	76%	0.762	S	S	*	*			cis	179.3	137.1	-45.3	-173.7	171.8	-176.7	-88.5	0	111.5
241	E	26.5	Very low	32.9	Very low	161 Å²	161	136.2 Å²	136.2	75%	0.752	77%	0.768	S	S	*	*			trans	62.9	168.3	162.5	-85.5	153.9	-162.2	0	0	118.4
242	A	27.1	Very low	32.7	Very low	97 Å²	97	132.7 Å²	132.7	80%	0.802	76%	0.759	S	S	*	*			cis	-159.4	-164.7	-11.9	0	0	0	0	0	112.8
243	K	29.8	Very low	32.3	Very low	198 Å²	198	135.7 Å²	135.7	86%	0.861	76%	0.763	S	S	*	*			trans	-71.2	-173.4	179.1	-60.6	-175.2	177.7	-178.7	0	113.9
244	P	44.3	Very low	32.2	Very low	110 Å²	110	131.2 Å²	131.2	71%	0.714	76%	0.761	S	S	*	*			cis	-152.2	-167.2	16.1	47.3	-24.5	0	0	0	119.7
245	D	28.8	Very low	32	Very low	121 Å²	121	130.3 Å²	130.3	65%	0.647	76%	0.76	S	S	*	*			trans	25.7	158	138.1	-75.1	1.2	0	0	0	123.6
246	K	30.8	Very low	31.9	Very low	172 Å²	172	131.7 Å²	131.7	75%	0.748	76%	0.758	S	S	*	*			cis	-175.2	146.7	-15.5	-108.6	-178.2	-172.3	76.5	0	110.8
247	G	29.1	Very low	31.8	Very low	71 Å²	71	134 Å²	134	73%	0.732	76%	0.762	S	S	*	*			trans	70.9	-179.6	152.3	0	0	0	0	0	118.8
248	T	33.9	Very low	31.7	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	75%	0.751	S	S	*	*			cis	-172.6	167.6	-14.3	11.4	0	0	0	0	111.9
249	K	36.6	Very low	31.7	Very low	201 Å²	201	136 Å²	136	87%	0.874	75%	0.754	S	S	*	*			trans	77.4	155.4	164.8	-73.6	172.7	-179.6	178.1	0	116.9
250	S	33.3	Very low	31.6	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	74%	0.743	S	S	*	*			cis	-89.9	-130.4	17	53.5	0	0	0	0	116.6
251	S	30.1	Very low	31.4	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	75%	0.753	S	S	*	*			cis	-140.7	-161.7	20.5	-53.9	0	0	0	0	112.6
252	K	30.3	Very low	31.4	Very low	164 Å²	164	135.9 Å²	135.9	71%	0.713	75%	0.754	S	S	*	*			trans	-138.4	146	-174.6	-101.5	176.2	163.9	-80.5	0	114.9
253	E	29.7	Very low	31.5	Very low	157 Å²	157	143.2 Å²	143.2	73%	0.734	76%	0.76	S	S	*	*			trans	37.3	139	138.6	-65.1	149.5	-174.4	0	0	121.2
254	A	31.8	Very low	31.5	Very low	98 Å²	98	139.2 Å²	139.2	81%	0.81	76%	0.758	S	S	*	*			cis	-165.1	-155	-5.4	0	0	0	0	0	108.2
255	A	32.3	Very low	30.9	Very low	82 Å²	82	146 Å²	146	68%	0.678	77%	0.769	S	S	*	*			cis	-163.6	157.7	2.8	0	0	0	0	0	113.2
256	V	33.8	Very low	30.9	Very low	130 Å²	130	145.8 Å²	145.8	79%	0.788	78%	0.777	S	S	*	*				40.2	128.2	129	178.8	0	0	0	0	119.9
257	K	32.8	Very low	31.1	Very low	172 Å²	172	145.8 Å²	145.8	75%	0.748	78%	0.777	S	S	*	*			cis	-165.9	147.2	45.2	-154	156.1	-177.3	178.8	0	116.1
258	D	31.7	Very low	31.2	Very low	100 Å²	100	147.7 Å²	147.7	54%	0.535	77%	0.77	S	S	.	*			trans	45.8	151.2	148.4	-68.8	-33.6	0	0	0	122.2
259	R	31.5	Very low	31	Very low	206 Å²	206	151.8 Å²	151.8	78%	0.777	77%	0.771	S	S	*	*			cis	-170.9	171.9	-4.8	-102.9	171	-147.7	176	21.7	107.3
260	S	27.2	Very low	30.6	Very low	88 Å²	88	150.8 Å²	150.8	62%	0.615	77%	0.766	S	S	*	*			cis	-172.3	178	-17.2	58.7	0	0	0	0	110.1
261	R	28	Very low	30.2	Very low	234 Å²	234	152.6 Å²	152.6	88%	0.883	76%	0.762	S	S	*	*			trans	71.8	121.6	174.5	-55.7	173.3	176.1	175.5	-1.7	114.6
262	A	26.2	Very low	30	Very low	93 Å²	93	153 Å²	153	77%	0.769	77%	0.765	S	S	*	*			cis	80.2	103.2	5.8	0	0	0	0	0	118.9
263	R	29.8	Very low	29.9	Very low	250 Å²	250	149.3 Å²	149.3	94%	0.943	77%	0.765	S	S	*	*			trans	177.8	151.3	152.5	-97.2	164.5	-173.3	-161.4	0.8	107.5
264	S	30.2	Very low	29.8	Very low	115 Å²	115	146.7 Å²	146.7	80%	0.804	77%	0.765	S	S	*	*			cis	-157.9	178.4	-5.8	33.3	0	0	0	0	111.3
265	R	31.1	Very low	29.7	Very low	252 Å²	252	148.4 Å²	148.4	95%	0.951	77%	0.765	S	S	*	*			trans	-95.7	157.4	-162.5	-63.9	167.8	169.9	157.4	-6.7	116.4
266	S	29.5	Very low	29.4	Very low	116 Å²	116	151.3 Å²	151.3	81%	0.811	77%	0.769	S	S	*	*			trans	-150	147.3	167.1	44	0	0	0	0	108.3
267	K	34.2	Very low	29.1	Very low	173 Å²	173	155.4 Å²	155.4	75%	0.752	77%	0.77	S	S	*	*			cis	62.9	129.1	0	-79.6	-164.6	122.4	-103.4	0	117.5
268	D	30.7	Very low	28.8	Very low	110 Å²	110	155.5 Å²	155.5	59%	0.588	77%	0.771	S	S	*	*			cis	-133.4	162.7	-4.9	-78	-68.8	0	0	0	108.3
269	R	29.7	Very low	28.6	Very low	221 Å²	221	158.8 Å²	158.8	83%	0.834	78%	0.781	S	S	*	*			cis	87.9	123.1	22.2	-151	-177.1	-165.8	-164.9	5.3	115.4
270	K	28.3	Very low	28.3	Very low	180 Å²	180	154.4 Å²	154.4	78%	0.783	77%	0.769	S	S	*	*			trans	68.9	157.9	178.1	-74.6	-164	172.7	-175.2	0	116
271	Q	24.8	Very low	28.3	Very low	149 Å²	149	156.6 Å²	156.6	70%	0.696	77%	0.768	S	S	*	*			cis	-171.3	146	-35.4	-148	168.2	-14.3	0	0	108.2
272	S	26.4	Very low	28.3	Very low	122 Å²	122	154.3 Å²	154.3	85%	0.853	76%	0.759	S	S	*	*			trans	62.8	171.1	171.6	79.7	0	0	0	0	115.2
273	A	28.1	Very low	28.3	Very low	87 Å²	87	157.6 Å²	157.6	72%	0.719	76%	0.756	S	S	*	*			cis	-138.7	166.3	0.9	0	0	0	0	0	112.5
274	S	26.9	Very low	28.3	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	75%	0.745	S	S	*	*			trans	-59.1	146.7	166.1	49.3	0	0	0	0	113.3
275	T	29.9	Very low	28.2	Very low	134 Å²	134	151.1 Å²	151.1	82%	0.822	74%	0.739	S	S	*	*				-169.1	162.7	118	15.1	0	0	0	0	112
276	D	26	Very low	28.1	Very low	142 Å²	142	144.1 Å²	144.1	76%	0.759	73%	0.729	S	S	*	*			trans	-57.3	144.8	176.1	-60.5	-103	0	0	0	114.2
277	R	28.3	Very low	29.2	Very low	216 Å²	216	144.2 Å²	144.2	82%	0.815	73%	0.726	S	S	*	*				-148.7	83.9	129.1	-113.5	169.7	-156.2	-159	5	113
278	F	27.2	Very low	29.5	Very low	174 Å²	174	140.8 Å²	140.8	76%	0.763	72%	0.722	S	S	*	*			trans	-61.9	150.7	135.7	-128.1	-57.8	0	0	0	108.9
279	K	26.5	Very low	29.3	Very low	170 Å²	170	139.5 Å²	139.5	74%	0.739	72%	0.722	S	S	*	*			trans	68.2	175.9	163.1	-55.4	166.9	-176.8	168	0	115.5
280	E	25.8	Very low	29	Very low	114 Å²	114	138.3 Å²	138.3	53%	0.533	72%	0.723	S	S	.	*			trans	77.9	130.9	175.1	-52.4	-113.6	111.7	0	0	114.3
281	K	26.9	Very low	28.9	Very low	134 Å²	134	140 Å²	140	58%	0.583	72%	0.724	S	S	*	*			cis	-143.4	127.1	-8.6	-115.8	170.4	173.3	132.7	0	107.9
282	R	27.8	Very low	28.9	Very low	186 Å²	186	138 Å²	138	70%	0.702	72%	0.718	S	S	*	*				58.9	124.1	104.1	-78	-170.3	-173.8	-175.9	-0.7	114.3
283	K	27	Very low	28.9	Very low	162 Å²	162	138.4 Å²	138.4	70%	0.704	71%	0.707	S	S	*	*			trans	67.2	144.7	131.4	-59	-177.5	-177	-164.6	0	115.5
284	S	29.6	Very low	28.9	Very low	101 Å²	101	142 Å²	142	71%	0.706	71%	0.709	S	S	*	*			cis	-142.1	146.2	34.9	-59.3	0	0	0	0	114.1
285	N	28	Very low	28.9	Very low	128 Å²	128	145 Å²	145	68%	0.684	71%	0.708	S	S	*	*				36.9	108.2	125.2	-46	3.6	0	0	0	117.6
286	S	29.2	Very low	28.8	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	71%	0.705	S	S	*	*				-13.8	160.7	116.8	58.3	0	0	0	0	117.4
287	P	52.8	Low	28.9	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	70%	0.704	S	S	*	*			cis	-127.3	-141	-1.4	35.3	-11.1	0	0	0	108.1
288	P	39	Very low	28.9	Very low	102 Å²	102	143.3 Å²	143.3	66%	0.662	71%	0.706	S	S	*	*			cis	-136.1	175.3	-15.7	42.3	-24.6	0	0	0	116.3
289	S	26.3	Very low	29.1	Very low	83 Å²	83	141.9 Å²	141.9	58%	0.58	71%	0.712	S	S	*	*			trans	33.2	142.8	137.7	72.5	0	0	0	0	123.9
290	F	24.2	Very low	29.2	Very low	196 Å²	196	139 Å²	139	86%	0.86	71%	0.705	S	S	*	*			trans	69.4	161.2	161.8	-58.3	-66.2	0	0	0	115
291	R	26.6	Very low	29.4	Very low	215 Å²	215	141.2 Å²	141.2	81%	0.811	71%	0.712	S	S	*	*			cis	-153.7	157.8	13.1	-151.3	178.5	175.6	172.2	-1.2	112.6
292	N	24.7	Very low	29.4	Very low	107 Å²	107	146.1 Å²	146.1	57%	0.572	73%	0.727	S	S	*	*			trans	26.2	138.4	149.1	-74.9	35	0	0	0	124.3
293	E	25.3	Very low	29.3	Very low	131 Å²	131	142.8 Å²	142.8	61%	0.612	73%	0.732	S	S	*	*			trans	66.6	153.9	136.3	-64.8	176.8	97.5	0	0	117.7	K295	E293-K295 IonicContact OE1-NZ 3.62Å; E293-K295 PolarHBondContact OE1-NZ 3.48Å
294	Q	28.7	Very low	30.7	Very low	163 Å²	163	140.7 Å²	140.7	76%	0.762	74%	0.735	S	S	*	*			cis	-124.4	161	19.7	-79.5	-174.7	7.7	0	0	111.4
295	K	26.5	Very low	31.7	Very low	164 Å²	164	141.4 Å²	141.4	71%	0.713	74%	0.737	S	S	*	*				52.2	132.5	67.1	-92.4	170.1	-168.2	152.9	0	110	E293	E293-K295 IonicContact OE1-NZ 3.62Å; E293-K295 PolarHBondContact OE1-NZ 3.48Å
296	V	28.4	Very low	31.7	Very low	123 Å²	123	143.8 Å²	143.8	75%	0.745	75%	0.745	S	S	*	*			cis	-149.5	148.5	17.4	-172.5	0	0	0	0	105.7
297	S	29	Very low	31.7	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	75%	0.747	S	S	*	*				-166.1	163.2	62.3	52.1	0	0	0	0	109.9
298	R	27.5	Very low	30.5	Very low	230 Å²	230	149.5 Å²	149.5	87%	0.868	74%	0.741	S	S	*	*			cis	75.4	80.8	31	-83.1	-166.2	171.5	-171.8	-1.4	116.7
299	T	31.3	Very low	30	Very low	143 Å²	143	152.7 Å²	152.7	88%	0.877	75%	0.747	S	S	*	*				-159.6	170.4	127.6	38.6	0	0	0	0	108.6
300	D	28.1	Very low	30.4	Very low	111 Å²	111	159.4 Å²	159.4	59%	0.594	76%	0.759	S	S	*	*				-165.2	164.3	-59	-154	-10.4	0	0	0	106.3
301	K	29.4	Very low	31.2	Very low	160 Å²	160	154.9 Å²	154.9	70%	0.696	75%	0.75	S	S	*	*			trans	19.2	128.6	157.2	-67	143.8	-160.7	154.2	0	118.5
302	R	27.6	Very low	31.5	Very low	237 Å²	237	151.5 Å²	151.5	89%	0.894	75%	0.748	S	S	*	*				-179	158.9	55.8	-124.4	157.7	-174.8	179.9	0.1	110.8
303	S	26.3	Very low	31.9	Very low	116 Å²	116	154.2 Å²	154.2	81%	0.811	76%	0.757	S	S	*	*			trans	-98	150.1	168.1	-55	0	0	0	0	112.1
304	P	57	Low	32.2	Very low	118 Å²	118	153.9 Å²	153.9	77%	0.766	76%	0.759	S	S	*	*			trans	-96.6	157.2	166.8	37.4	-33.1	0	0	0	112.9
305	P	50.6	Low	32.3	Very low	115 Å²	115	153.7 Å²	153.7	75%	0.747	75%	0.752	S	S	*	*			trans	-94.9	-178.1	160.5	42.6	-36	0	0	0	110.2
306	Q	27.5	Very low	32.4	Very low	179 Å²	179	151.1 Å²	151.1	84%	0.836	75%	0.75	S	S	*	*			cis	-120.7	154.5	1.2	-57.3	167.2	-77.2	0	0	109.1
307	R	29.1	Very low	32.6	Very low	206 Å²	206	150 Å²	150	78%	0.777	75%	0.747	S	S	*	*			cis	65	131.2	45.5	-110.3	-168.3	-178.3	-132	9.9	111.4
308	E	28.3	Very low	32.6	Very low	136 Å²	136	156.2 Å²	156.2	64%	0.636	76%	0.755	S	S	*	*			cis	-127.3	-162.9	2.6	-39.2	-137.2	79.9	0	0	108.7
309	E	28.2	Very low	32.8	Very low	168 Å²	168	156.4 Å²	156.4	79%	0.785	76%	0.755	S	S	*	*			cis	-158.1	175	11.5	-145.9	178.6	-164.7	0	0	111.6
310	R	33.8	Very low	32.9	Very low	224 Å²	224	153.8 Å²	153.8	85%	0.845	74%	0.743	S	S	*	*			trans	-131.5	145.9	163.8	-88.7	-172.2	178.1	-163.6	1.8	105.4
311	P	41.8	Very low	33	Very low	102 Å²	102	158.5 Å²	158.5	66%	0.662	76%	0.758	S	S	*	*				-163.7	163.1	71.2	43.6	-22.6	0	0	0	120.5
312	N	31.5	Very low	33.4	Very low	144 Å²	144	156.2 Å²	156.2	77%	0.77	76%	0.763	S	S	*	*			trans	57.8	159.1	133.8	-66.6	-6.4	0	0	0	125.3
313	Q	33.8	Very low	34.5	Very low	164 Å²	164	150.4 Å²	150.4	77%	0.766	76%	0.756	S	S	*	*			trans	81.4	110	168.6	-50.8	-156.8	33.6	0	0	115.6
314	D	31.1	Very low	34.8	Very low	123 Å²	123	150.4 Å²	150.4	66%	0.658	75%	0.75	S	S	*	*			cis	-157.8	-126.7	-4.9	-158.3	-5.8	0	0	0	109.5
315	R	31.2	Very low	33.6	Very low	159 Å²	159	156.7 Å²	156.7	60%	0.6	76%	0.759	S	S	*	*			cis	-153	148.5	-5.4	-153.5	125.2	-91.9	159	6.6	110
316	T	29.8	Very low	32.7	Very low	111 Å²	111	156.9 Å²	156.9	68%	0.681	75%	0.75	S	S	*	*			trans	25.1	105.3	158.5	52.9	0	0	0	0	119.3
317	S	30.8	Very low	33.1	Very low	99 Å²	99	157.2 Å²	157.2	69%	0.692	74%	0.744	S	S	*	*				72.5	143.6	88.4	87.8	0	0	0	0	116
318	R	30.3	Very low	34.4	Very low	235 Å²	235	152.9 Å²	152.9	89%	0.887	74%	0.742	S	S	*	*			cis	-147.5	141.5	21.5	-62.3	175.4	176.4	173.1	-2.9	114.6
319	R	31	Very low	34.6	Very low	234 Å²	234	151.7 Å²	151.7	88%	0.883	75%	0.748	S	S	*	*			trans	17	120.6	132	-126.8	-165.6	-176.5	-179.9	1.7	121.8
320	S	32.8	Very low	34.9	Very low	89 Å²	89	155.1 Å²	155.1	62%	0.622	75%	0.754	S	S	*	*				68.8	136.5	124.3	67	0	0	0	0	125.7
321	K	30.8	Very low	35	Very low	209 Å²	209	149 Å²	149	91%	0.909	75%	0.746	S	S	*	*			trans	79.4	141.6	146	-76.4	179.1	177.6	-173.9	0	120.2
322	S	38.5	Very low	34.7	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	75%	0.753	S	S	*	*			trans	-97.8	158.8	172.8	48.7	0	0	0	0	112.3
323	P	49.6	Very low	34.9	Very low	115 Å²	115	148.9 Å²	148.9	75%	0.747	75%	0.752	S	S	*	*			trans	-147	143.5	139.6	35.7	-18.9	0	0	0	116.9
324	V	32.4	Very low	35.1	Very low	115 Å²	115	146.9 Å²	146.9	70%	0.697	75%	0.747	S	S	*	*			trans	55.8	123.9	132.9	-179.5	0	0	0	0	121.8	E326	V324-E326 HydrophobicContact CG1-CG 4.27Å
325	R	33.7	Very low	35.3	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	75%	0.748	S	S	*	*				-149.6	135.9	127.9	-129.7	175.9	-176.2	-174.6	0.9	110.3
326	E	31.6	Very low	35.5	Very low	120 Å²	120	146.1 Å²	146.1	56%	0.561	74%	0.741	S	S	*	*			trans	-149.9	179.3	-163.5	-57.8	-178.7	110.8	0	0	109.4	V324	V324-E326 HydrophobicContact CG1-CG 4.27Å
327	R	35	Very low	35.8	Very low	186 Å²	186	148.7 Å²	148.7	70%	0.702	74%	0.743	S	S	*	*			cis	-151	111.1	13.6	174.6	163.2	-103.3	85.3	20.5	113.8
328	P	56.8	Low	36.1	Very low	114 Å²	114	155.2 Å²	155.2	74%	0.74	75%	0.752	S	S	*	*			trans	-85.6	165.9	145.5	34.7	-30.7	0	0	0	110.3
329	S	31.8	Very low	37.3	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	75%	0.748	S	S	*	*			cis	-153.3	-179.8	-9.2	50.9	0	0	0	0	109
330	R	35.5	Very low	37.4	Very low	241 Å²	241	143 Å²	143	91%	0.909	74%	0.741	S	S	*	*			trans	-145	158.6	170.4	-69.5	-170.1	172.7	164.7	-3.5	109.3
331	S	34.8	Very low	37.4	Very low	96 Å²	96	148.6 Å²	148.6	67%	0.671	76%	0.755	S	S	*	*			cis	-144.7	144.2	14.7	49	0	0	0	0	113.3
332	D	35.9	Very low	37.9	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	75%	0.748	S	S	*	*			trans	34.3	126.8	136	-40.5	-43.8	0	0	0	119.7
333	A	36.7	Very low	38.6	Very low	91 Å²	91	144 Å²	144	75%	0.752	75%	0.746	S	S	*	*			cis	-151.9	-145.1	-5.9	0	0	0	0	0	107.3
334	D	36.1	Very low	37.9	Very low	122 Å²	122	143.3 Å²	143.3	65%	0.652	74%	0.744	S	S	*	*			cis	-164.6	-167.7	-1.1	-150.2	3.8	0	0	0	105.8
335	R	35.8	Very low	38	Very low	179 Å²	179	147.5 Å²	147.5	68%	0.675	75%	0.753	S	S	*	*			cis	-151.3	172.2	-4.1	-169.7	146.9	-159	74.6	28.3	111.6
336	D	36	Very low	38	Very low	88 Å²	88	143.2 Å²	143.2	47%	0.471	75%	0.748	S	S	.	*			trans	-37.7	155	157.5	-66.7	-54.5	0	0	0	115.3
337	K	36.7	Very low	38.2	Very low	165 Å²	165	142.5 Å²	142.5	72%	0.717	76%	0.763	S	S	*	*			cis	154.1	137.6	-17.7	-104	-177.8	-153.9	114.7	0	105.7
338	R	37.3	Very low	38.1	Very low	235 Å²	235	138.9 Å²	138.9	89%	0.887	77%	0.766	S	S	*	*			trans	69.1	165.3	158.4	-69.2	-179.7	177.1	-165	0.7	117.8
339	P	53.6	Low	36.9	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	77%	0.774	S	S	*	*			cis	-135.1	-173.5	-36.6	37	-20.1	0	0	0	113.7
340	A	34.5	Very low	36.7	Very low	89 Å²	89	139.8 Å²	139.8	74%	0.736	77%	0.773	S	S	*	*			trans	-87.1	175	-179.3	0	0	0	0	0	115.8
341	K	32.6	Very low	36.7	Very low	208 Å²	208	137.1 Å²	137.1	90%	0.904	77%	0.768	S	S	*	*			trans	104.6	130.3	154.6	-65.9	-176.4	175.4	179.8	0	119.3
342	S	41.1	Very low	36.6	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	77%	0.768	S	S	*	*			trans	-67.9	174.1	168	-29.9	0	0	0	0	112.7
343	P	54	Low	36.4	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	76%	0.762	S	S	*	*				-153.1	154.1	87.1	41.1	-22.9	0	0	0	119
344	S	34.7	Very low	36.2	Very low	100 Å²	100	145 Å²	145	70%	0.699	77%	0.768	S	S	*	*			trans	41.9	129.3	142.7	65.9	0	0	0	0	123.3
345	K	33.9	Very low	36.4	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	77%	0.774	S	S	*	*				-165.9	164.7	108.5	-108.7	172.5	-177.9	177.5	0	113.5
346	D	32.7	Very low	37.1	Very low	160 Å²	160	142 Å²	142	86%	0.856	78%	0.781	S	S	*	*			trans	-78.8	146.6	-168.2	-52.4	-97.4	0	0	0	116.1
347	A	35.8	Very low	36.9	Very low	106 Å²	106	146 Å²	146	88%	0.876	80%	0.796	S	S	*	*			trans	-160.9	153.1	136.8	0	0	0	0	0	109.4
348	S	34	Very low	36.9	Very low	109 Å²	109	149 Å²	149	76%	0.762	80%	0.803	S	S	*	*			trans	-138.2	154.1	176.6	66	0	0	0	0	111.8
349	L	30.4	Very low	36.5	Very low	171 Å²	171	150 Å²	150	90%	0.895	81%	0.807	S	S	*	*			trans	147	146.3	144.5	-79.4	165.2	0	0	0	113.5
350	G	29.4	Very low	35.3	Very low	73 Å²	73	148 Å²	148	75%	0.753	81%	0.808	S	S	*	*			trans	75.3	123.7	171.5	0	0	0	0	0	114.7
351	K	34	Very low	35.1	Very low	185 Å²	185	147.1 Å²	147.1	80%	0.804	81%	0.808	S	S	*	*			cis	76.1	88.5	8.5	-122.4	-178.1	-176.1	-174.2	0	118.1
352	E	32.8	Very low	35.1	Very low	145 Å²	145	146.1 Å²	146.1	68%	0.678	81%	0.806	S	S	*	*			trans	73.9	119.4	133.5	-75.1	-178.4	-128.5	0	0	123.4
353	N	33.2	Very low	35	Very low	130 Å²	130	146 Å²	146	70%	0.695	81%	0.805	S	S	*	*				88.6	126.9	128.2	-76.3	-42.6	0	0	0	123.2
354	R	31.2	Very low	34.9	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	81%	0.808	S	S	*	*			trans	82.3	113.3	152.8	-66.8	172.4	175	171.8	-1.2	121.6
355	S	40.3	Very low	35	Very low	113 Å²	113	145 Å²	145	79%	0.79	80%	0.802	S	S	*	*				33.7	138.8	127.4	-48.1	0	0	0	0	120.8
356	P	50.7	Low	35.1	Very low	126 Å²	126	145.7 Å²	145.7	82%	0.818	80%	0.799	S	S	*	*				-160	-172.5	73.2	44.3	-23	0	0	0	119.5
357	H	32.8	Very low	35.2	Very low	170 Å²	170	147 Å²	147	79%	0.787	80%	0.797	S	S	*	*			trans	-28.3	155.2	169.6	-71.5	-46.3	0	0	0	124.6
358	R	34.9	Very low	35	Very low	229 Å²	229	153.3 Å²	153.3	86%	0.864	80%	0.799	S	S	*	*			trans	74.1	120.6	135	-82.2	175	178.4	-129.7	3.5	121.7
359	R	29.9	Very low	34.9	Very low	257 Å²	257	153.5 Å²	153.5	97%	0.97	80%	0.8	S	S	*	*				-174.5	161.1	125.8	-94.4	161.4	-167.6	-150.3	4.2	106.3
360	G	28.5	Very low	34.9	Very low	80 Å²	80	149.4 Å²	149.4	83%	0.825	79%	0.791	S	S	*	*			cis	169.8	121.1	-7.3	0	0	0	0	0	106.5
361	G	29.8	Very low	34.8	Very low	71 Å²	71	151.7 Å²	151.7	73%	0.732	80%	0.795	S	S	*	*			trans	-119.2	168.9	-164.4	0	0	0	0	0	115.5
362	H	32.7	Very low	35.7	Very low	187 Å²	187	148 Å²	148	87%	0.866	79%	0.79	S	S	*	*			trans	-150.5	140.9	166.6	-104.5	39.5	0	0	0	112.1
363	S	38.9	Very low	35.5	Very low	107 Å²	107	151.3 Å²	151.3	75%	0.748	80%	0.796	S	S	*	*			trans	16.8	153.4	142.2	-61.5	0	0	0	0	122.3
364	P	51.6	Low	35.3	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	80%	0.796	S	S	*	*			cis	-138.3	-175.4	30	40	-20.2	0	0	0	118
365	A	37.5	Very low	35.3	Very low	70 Å²	70	151.2 Å²	151.2	58%	0.579	79%	0.792	S	S	*	*			trans	-60.5	168.7	-178	0	0	0	0	0	114.9
366	R	35.7	Very low	34.8	Very low	218 Å²	218	150.9 Å²	150.9	82%	0.823	78%	0.782	S	S	*	*			cis	-178	162.1	44	19.9	53.6	173	87.9	-3	111.4
367	K	34.2	Very low	33.8	Very low	187 Å²	187	149.9 Å²	149.9	81%	0.813	77%	0.773	S	S	*	*			cis	176.6	141	-19.4	-176.2	170.9	179.6	178	0	109
368	R	32.8	Very low	33.7	Very low	239 Å²	239	148.8 Å²	148.8	90%	0.902	77%	0.768	S	S	*	*			trans	81.1	149.1	-176.6	-59.8	175.3	168.5	158.2	-4.7	114.8
369	S	32.3	Very low	33.5	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	76%	0.759	S	S	*	*			cis	-171.5	174.9	-8.8	40.9	0	0	0	0	110.3
370	A	30.2	Very low	33.5	Very low	85 Å²	85	138.1 Å²	138.1	70%	0.702	75%	0.747	S	S	*	*			cis	-179.8	115.8	-44.8	0	0	0	0	0	110.5
371	S	27.8	Very low	33.6	Very low	121 Å²	121	139.3 Å²	139.3	85%	0.846	74%	0.743	S	S	*	*			trans	64.5	-171.7	162.6	-58.3	0	0	0	0	116.6
372	P	51.7	Low	33.6	Very low	106 Å²	106	140 Å²	140	69%	0.688	74%	0.741	S	S	*	*				-139.6	175.2	-75.5	43.7	-29	0	0	0	117.1
373	R	28.9	Very low	33.6	Very low	215 Å²	215	136.5 Å²	136.5	81%	0.811	74%	0.738	S	S	*	*			trans	72.1	153.3	150.3	-81.3	-177.5	177.6	-170.8	0.8	121.3
374	H	29.4	Very low	33.3	Very low	148 Å²	148	135.3 Å²	135.3	69%	0.685	74%	0.735	S	S	*	*			trans	85.3	135.5	141.8	-94.1	-54.2	0	0	0	121.6
375	R	30.3	Very low	32.6	Very low	210 Å²	210	134.4 Å²	134.4	79%	0.792	73%	0.731	S	S	*	*			trans	71.3	156.3	147.4	-66.9	-174.5	113.6	155.4	4.9	117.5
376	D	29.3	Very low	32.4	Very low	106 Å²	106	136.4 Å²	136.4	57%	0.567	73%	0.732	S	S	*	*			cis	-154.4	158.8	-25.9	-112.9	-9.9	0	0	0	109.9
377	T	31.2	Very low	32.5	Very low	104 Å²	104	135.5 Å²	135.5	64%	0.638	73%	0.728	S	S	*	*			trans	32.6	119.7	147.3	68.3	0	0	0	0	122.7
378	H	30.5	Very low	32.6	Very low	148 Å²	148	132.3 Å²	132.3	69%	0.685	73%	0.725	S	S	*	*				71.6	152.7	120.5	-81.8	-108.1	0	0	0	123.8
379	H	31.2	Very low	32.7	Very low	146 Å²	146	125.3 Å²	125.3	68%	0.676	71%	0.713	S	S	*	*			trans	71.3	119.3	148.9	-71.2	-46.8	0	0	0	117.7
380	T	28.5	Very low	32.8	Very low	115 Å²	115	129 Å²	129	71%	0.706	71%	0.714	S	S	*	*				53.9	130.6	73.2	70	0	0	0	0	113.4
381	S	30.3	Very low	33	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	72%	0.721	S	S	*	*			cis	-176.1	156.8	3.7	41.4	0	0	0	0	111.2
382	A	30.9	Very low	33.4	Very low	84 Å²	84	133 Å²	133	69%	0.694	72%	0.717	S	S	*	*			trans	67.9	141	153.5	0	0	0	0	0	120.1
383	S	31.8	Very low	34.2	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	72%	0.721	S	S	*	*			trans	53.5	137.9	139.2	60.1	0	0	0	0	121.6
384	A	33.2	Very low	35.7	Very low	83 Å²	83	128.1 Å²	128.1	69%	0.686	71%	0.713	S	S	*	*			cis	-168.9	170.8	-9	0	0	0	0	0	110.3
385	S	36.8	Very low	36.2	Very low	104 Å²	104	132 Å²	132	73%	0.727	72%	0.722	S	S	*	*			trans	48.7	120	148.5	58.7	0	0	0	0	120.6
386	D	34.1	Very low	36.5	Very low	112 Å²	112	133.4 Å²	133.4	60%	0.599	73%	0.727	S	S	*	*				-162.1	139.8	101.9	-112.3	-14.9	0	0	0	114.1
387	R	38.1	Very low	37.3	Very low	199 Å²	199	133.5 Å²	133.5	75%	0.751	74%	0.736	S	S	*	*			trans	53.4	154.6	135.5	-64.4	173.8	-147.5	-172.2	24.2	122
388	T	34.8	Very low	39.1	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	74%	0.74	S	S	*	*			cis	-167.5	153.9	-12.2	27.9	0	0	0	0	108.5
389	S	35.3	Very low	40.8	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	74%	0.738	S	S	*	*				159.8	170.5	85.6	51.3	0	0	0	0	112.3
390	K	33.6	Very low	41.6	Very low	189 Å²	189	136.2 Å²	136.2	82%	0.822	75%	0.75	S	S	*	*			trans	75.8	152.5	168.3	-50.1	175	-175.9	-179	0	118
391	H	35.6	Very low	42.5	Very low	184 Å²	184	142.6 Å²	142.6	85%	0.852	76%	0.761	S	S	*	*				-158.2	-179.2	-52.6	-108.8	-46.2	0	0	0	110.4
392	S	36.6	Very low	42.8	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	76%	0.757	S	S	*	*			trans	-151.4	-159.5	-154	-36.2	0	0	0	0	114.2
393	P	68	Low	42.9	Very low	119 Å²	119	146.4 Å²	146.4	77%	0.773	77%	0.766	S	S	*	*			cis	-131.4	-29.6	-20.5	33.4	-20.8	0	0	0	128
394	P	61	Low	42.9	Very low	100 Å²	100	146 Å²	146	65%	0.649	76%	0.763	S	S	*	*				-136.7	170	-129.4	40.6	-21.7	0	0	0	122.2
395	R	39.9	Very low	42.7	Very low	230 Å²	230	153.7 Å²	153.7	87%	0.868	77%	0.774	S	S	*	*			trans	88.1	149.9	161.8	-62.2	-177.2	179.9	-131.4	-0.1	119.2
396	R	36	Very low	42.7	Very low	238 Å²	238	153.3 Å²	153.3	90%	0.898	77%	0.772	S	S	*	*			cis	-162.1	173.6	-32	-131.9	-178.8	-173.4	-167.6	1.6	110.5
397	S	45.4	Very low	42.9	Very low	108 Å²	108	155.6 Å²	155.6	76%	0.755	78%	0.783	S	S	*	*			trans	-107.3	-159.4	-170.4	68.7	0	0	0	0	113.7
398	P	69.8	Low	42.6	Very low	113 Å²	113	151.7 Å²	151.7	73%	0.734	78%	0.777	S	S	*	*			cis	-126	-131.8	15.3	38.1	-13.3	0	0	0	112.2
399	P	66.8	Low	43.3	Very low	98 Å²	98	150.4 Å²	150.4	64%	0.636	78%	0.779	S	S	*	*			cis	-139	167	-27.3	37.2	-17.5	0	0	0	119
400	R	47	Very low	43.7	Very low	245 Å²	245	156.6 Å²	156.6	93%	0.925	79%	0.788	S	S	*	*			trans	68.2	153.9	153.3	-70.6	163.2	-170.3	-109.7	-1.9	119.5
401	R	47.3	Very low	44.3	Very low	248 Å²	248	156.8 Å²	156.8	94%	0.936	78%	0.783	S	S	*	*			cis	-92.6	-118.9	8.8	-152.4	177.9	-180	162.6	-1.6	112.9
402	A	37.6	Very low	44.6	Very low	79 Å²	79	156.9 Å²	156.9	65%	0.653	78%	0.776	S	S	*	*			cis	-161.1	155.3	-5.6	0	0	0	0	0	109.1
403	H	33.4	Very low	44.7	Very low	191 Å²	191	159 Å²	159	88%	0.884	77%	0.774	S	S	*	*			trans	-159.9	164.8	174.8	-111.7	-91.9	0	0	0	116.2
404	S	30.6	Very low	43.4	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	77%	0.773	S	S	*	*			trans	64.6	117.4	152.3	63.5	0	0	0	0	123.6
405	R	29.9	Very low	42.4	Very low	244 Å²	244	159.6 Å²	159.6	92%	0.921	77%	0.77	S	S	*	*				-103.6	152.3	118.1	-72.6	179	178.3	173.5	-1.5	106.2
406	S	36.9	Very low	42.5	Very low	96 Å²	96	157.9 Å²	157.9	67%	0.671	76%	0.763	S	S	*	*			cis	-162.3	165.2	0	42.5	0	0	0	0	108.8
407	L	36.4	Very low	42.7	Very low	160 Å²	160	154 Å²	154	84%	0.838	76%	0.755	S	S	*	*			trans	68.6	154.4	180	-43.5	174.7	0	0	0	112
408	D	32.1	Very low	42.4	Very low	117 Å²	117	154.6 Å²	154.6	63%	0.626	75%	0.75	S	S	*	*			cis	-150.6	139.1	18.2	-146.7	-52.9	0	0	0	113	R410	D408-R410 PolarHBondContact OD1-N 3.26Å
409	A	49.8	Very low	40.5	Very low	94 Å²	94	154 Å²	154	78%	0.777	75%	0.748	S	S	*	*	S	Bend	trans	-127.9	112.4	143.5	0	0	0	0	0	104.2
410	R	44.7	Very low	40.1	Very low	222 Å²	222	154.7 Å²	154.7	84%	0.838	75%	0.753	S	S	*	*	S	Bend	cis	-141.1	139.2	21.8	-61.7	165	175.3	-176.7	-3.5	106.9	D408	D408-R410 PolarHBondContact OD1-N 3.26Å
411	R	44.7	Very low	39.3	Very low	193 Å²	193	150.6 Å²	150.6	73%	0.728	75%	0.749	S	S	*	*			cis	-177.8	138.6	42.7	-125.7	171.7	-173.1	-155.7	4.2	111.2
412	R	42.5	Very low	38.4	Very low	187 Å²	187	148.8 Å²	148.8	71%	0.706	74%	0.742	S	S	*	*			trans	64.7	154.6	153.7	-47.5	-153.8	151	138.3	-1.2	120.4
413	E	39.4	Very low	37.9	Very low	151 Å²	151	153.6 Å²	153.6	71%	0.706	75%	0.748	S	S	*	*			cis	174.4	149.8	-30.2	-96.1	128.9	-135	0	0	105.4
414	V	39.4	Very low	37.5	Very low	121 Å²	121	155 Å²	155	73%	0.733	75%	0.746	S	S	*	*			cis	-169.8	175.7	-13.1	65.8	0	0	0	0	109
415	D	40.3	Very low	37.2	Very low	110 Å²	110	155.2 Å²	155.2	59%	0.588	75%	0.747	S	S	*	*			trans	69.4	155.3	164.9	-90.3	10.1	0	0	0	120.2
416	R	41.8	Very low	36.9	Very low	195 Å²	195	154.7 Å²	154.7	74%	0.736	75%	0.745	S	S	*	*			cis	-163.6	162.1	-17.1	-128.1	176.4	-173	132.6	-8.3	112.3
417	Q	41.3	Very low	36.5	Very low	157 Å²	157	154.1 Å²	154.1	73%	0.734	75%	0.746	S	S	*	*			trans	71.7	140.8	144.6	-85.9	-171.6	-76.5	0	0	126.5
418	D	37.7	Very low	36.1	Very low	119 Å²	119	153.9 Å²	153.9	64%	0.636	75%	0.745	S	S	*	*			trans	64.2	127.5	135.7	-87.5	-72.7	0	0	0	128.3
419	S	31	Very low	36	Very low	101 Å²	101	152.6 Å²	152.6	71%	0.706	75%	0.752	S	S	*	*				64.1	146.3	128.5	-70.7	0	0	0	0	124.2
420	P	58	Low	34.9	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	75%	0.747	S	S	*	*			trans	-96.3	173.4	174	40.2	-36.4	0	0	0	112.6
421	L	30.6	Very low	35	Very low	158 Å²	158	146.4 Å²	146.4	83%	0.827	74%	0.744	S	S	*	*			trans	-166.7	175.3	152.1	-109.6	174.3	0	0	0	117.7
422	R	29.3	Very low	34.5	Very low	210 Å²	210	145.4 Å²	145.4	79%	0.792	75%	0.752	S	S	*	*			trans	-48.2	149.1	-172.9	-78.1	165.1	-175.1	165.6	-1.4	121.2
423	K	26.2	Very low	34.1	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.787	75%	0.751	S	S	*	*				29.2	136.5	122.8	-58.3	179.5	175.2	176	0	121.3
424	R	24	Very low	33.6	Very low	221 Å²	221	138.5 Å²	138.5	83%	0.834	75%	0.75	S	S	*	*			trans	88.2	131.5	133.5	-90	-178.3	176.1	-177.6	-2.4	120.6
425	S	24.9	Very low	33.3	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	75%	0.749	S	S	*	*			trans	67.1	157.3	144.2	46.6	0	0	0	0	120.6
426	R	25	Very low	33.1	Very low	233 Å²	233	142.5 Å²	142.5	88%	0.879	76%	0.758	S	S	*	*			cis	179.1	137.2	-26.4	-179.1	-173	-165	-179.6	4.1	107.4
427	A	27.1	Very low	32.5	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	76%	0.76	S	S	*	*			trans	64.4	173.2	172.8	0	0	0	0	0	113.9
428	D	28	Very low	31.9	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	75%	0.75	S	S	*	*			cis	-151.1	175.5	-7.3	-141.5	-37	0	0	0	110.6
429	A	30.8	Very low	31.5	Very low	91 Å²	91	143.7 Å²	143.7	75%	0.752	76%	0.756	S	S	*	*			trans	63.5	143.2	160.4	0	0	0	0	0	120.4
430	G	26.9	Very low	31.8	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	76%	0.76	S	S	*	*			trans	-88.9	-172.9	158.2	0	0	0	0	0	111.2
431	P	46.3	Very low	31.4	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	76%	0.756	S	S	*	*				-152.5	163.3	90.7	36.8	-17.8	0	0	0	117.7
432	L	34.3	Very low	31.8	Very low	171 Å²	171	147.5 Å²	147.5	90%	0.895	76%	0.76	S	S	*	*			trans	40.8	153.7	135.4	-55.3	168.8	0	0	0	122.5
433	G	33	Very low	32.4	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	75%	0.754	S	S	*	*			cis	129.7	131.2	-10.1	0	0	0	0	0	115.9
434	D	30.3	Very low	33	Very low	128 Å²	128	139.9 Å²	139.9	68%	0.684	76%	0.755	S	S	*	*			trans	-171.9	157.9	165.3	-120.2	-24.5	0	0	0	110.2
435	R	33.4	Very low	33.6	Very low	188 Å²	188	133.1 Å²	133.1	71%	0.709	74%	0.742	S	S	*	*			cis	-153.9	129.2	-6.2	-167.5	164.5	-77.7	-170.8	3.1	111.2
436	T	34.5	Very low	34.1	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	75%	0.747	S	S	*	*			trans	59.8	-177.9	166.1	61.1	0	0	0	0	117
437	R	30.7	Very low	34.4	Very low	208 Å²	208	138.4 Å²	138.4	79%	0.785	75%	0.745	S	S	*	*			cis	-161	171.8	-8.6	-124.6	162.8	86.1	-164.9	7.7	107.3
438	E	29	Very low	34.7	Very low	109 Å²	109	146 Å²	146	51%	0.509	76%	0.756	S	S	.	*			cis	-147.4	-70	-5.7	-162.1	-179.3	-52.8	0	0	115.4
439	K	28.5	Very low	35	Very low	179 Å²	179	144.5 Å²	144.5	78%	0.778	75%	0.752	S	S	*	*			trans	-129.5	139.7	-156.2	-95.9	166	-171.4	143.9	0	118.6
440	S	36.7	Very low	35	Very low	111 Å²	111	144 Å²	144	78%	0.776	74%	0.744	S	S	*	*			trans	-49.4	178.2	157.4	-75.1	0	0	0	0	116.2
441	P	50.5	Low	35.2	Very low	102 Å²	102	152.2 Å²	152.2	66%	0.662	75%	0.754	S	S	*	*			cis	-145.8	154.4	18.8	36.6	-14.2	0	0	0	121.3
442	R	39.2	Very low	34.9	Very low	238 Å²	238	151.8 Å²	151.8	90%	0.898	75%	0.754	S	S	*	*			trans	73.6	150.9	137.2	-74.6	172.4	-168.3	-165.8	2.9	120
443	S	40.5	Very low	35.8	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	74%	0.743	S	S	*	*			cis	-167.2	150.3	-2	38.1	0	0	0	0	116.3
444	V	39.2	Very low	35.7	Very low	134 Å²	134	152.3 Å²	152.3	81%	0.812	75%	0.747	S	S	*	*			trans	71.6	142.6	140.4	161.2	0	0	0	0	117.8
445	S	37.6	Very low	35.7	Very low	80 Å²	80	155.5 Å²	155.5	56%	0.559	75%	0.749	S	S	*	*			cis	-173.2	166	-12.1	-91	0	0	0	0	108.8
446	R	33.8	Very low	35.5	Very low	230 Å²	230	155.6 Å²	155.6	87%	0.868	75%	0.749	S	S	*	*			cis	-157	178.2	-4.7	-116.1	164.3	-162.2	-157.2	3.1	112.1
447	R	32.9	Very low	35.3	Very low	222 Å²	222	160 Å²	160	84%	0.838	75%	0.752	S	S	*	*			trans	-66.6	161.5	-172.6	-56.7	159.8	-179.1	169.5	-2.7	113.5
448	R	32.6	Very low	35.5	Very low	244 Å²	244	155.4 Å²	155.4	92%	0.921	75%	0.752	S	S	*	*			cis	71.5	158.4	36.1	-104.5	-167.1	-176.1	-154.2	4.1	115.8
449	V	35.2	Very low	36.1	Very low	123 Å²	123	156.5 Å²	156.5	75%	0.745	77%	0.768	S	S	*	*			trans	90.6	140.8	166.6	-175.2	0	0	0	0	116
450	S	30.5	Very low	36.2	Very low	82 Å²	82	153.1 Å²	153.1	57%	0.573	77%	0.767	S	S	*	*			cis	-175.3	176.4	-32.8	68.6	0	0	0	0	111.2
451	R	30.5	Very low	36.1	Very low	239 Å²	239	155.4 Å²	155.4	90%	0.902	77%	0.77	S	S	*	*			trans	77.9	125.6	153.7	-72	165	-177.5	177.7	-0.3	120.2
452	S	40	Very low	35.8	Very low	110 Å²	110	156 Å²	156	77%	0.769	77%	0.773	S	S	*	*			trans	-78.5	-177.7	151.4	55.3	0	0	0	0	109.9
453	P	53.3	Low	35.5	Very low	104 Å²	104	155.4 Å²	155.4	68%	0.675	77%	0.771	S	S	*	*			cis	-152.5	-163.2	23.3	39.6	-13.8	0	0	0	118
454	L	30.7	Very low	35.1	Very low	144 Å²	144	160.2 Å²	160.2	75%	0.754	77%	0.774	S	S	*	*			trans	85.3	131.2	151.5	-69.3	167.1	0	0	0	123.8
455	R	30	Very low	34.8	Very low	195 Å²	195	158.6 Å²	158.6	74%	0.736	77%	0.769	S	S	*	*			trans	78.1	117.1	135.5	-81	-178.4	169.3	-171.9	-0.6	123.9
456	R	29.8	Very low	34.6	Very low	189 Å²	189	164.4 Å²	164.4	71%	0.713	78%	0.779	S	S	*	*				96.8	137.6	120.6	-86	-175.5	171.1	-160.7	-3.8	122.1
457	R	29.2	Very low	34.4	Very low	220 Å²	220	159.3 Å²	159.3	83%	0.83	78%	0.778	S	S	*	*			trans	73.9	114.4	151.4	-76.6	-179.4	170.4	173.4	-5.2	119.8
458	S	35.4	Very low	34.7	Very low	112 Å²	112	154 Å²	154	78%	0.783	78%	0.775	S	S	*	*			trans	-60.8	160.9	149.3	-25.6	0	0	0	0	111.2
459	P	43	Very low	35.5	Very low	132 Å²	132	147.6 Å²	147.6	86%	0.857	77%	0.765	S	S	*	*				-144.1	-156.6	80.1	41	-23.1	0	0	0	114.7
460	S	29.3	Very low	35.4	Very low	108 Å²	108	152.8 Å²	152.8	76%	0.755	77%	0.772	S	S	*	*			trans	-82.8	167	-164.2	52.7	0	0	0	0	117.6
461	L	35.3	Very low	35.5	Very low	159 Å²	159	159.7 Å²	159.7	83%	0.832	79%	0.785	S	S	*	*			trans	-18.2	147.7	150.2	-65.2	171.8	0	0	0	115.4
462	P	43.2	Very low	35.6	Very low	113 Å²	113	157.9 Å²	157.9	73%	0.734	78%	0.778	S	S	*	*				-159.2	160.6	54	43.1	-21.8	0	0	0	121.8
463	R	32.6	Very low	35.2	Very low	226 Å²	226	158.1 Å²	158.1	85%	0.853	78%	0.78	S	S	*	*			trans	48.5	143.2	139	-78	-176	160.5	-175.5	-2.9	125.1
464	R	33.8	Very low	34.2	Very low	198 Å²	198	162.6 Å²	162.6	75%	0.747	78%	0.783	S	S	*	*			trans	79.9	154.2	156.9	-78.5	-179	170.6	-177.2	0.4	115.9
465	S	31.2	Very low	34.4	Very low	101 Å²	101	161.6 Å²	161.6	71%	0.706	79%	0.788	S	S	*	*			cis	-128.4	147.4	18	54.1	0	0	0	0	114.2
466	R	33.5	Very low	35.2	Very low	201 Å²	201	157.8 Å²	157.8	76%	0.758	79%	0.789	S	S	*	*				52.6	143.2	100.8	-58.6	176.1	157.2	169	-10.5	115
467	S	31.1	Very low	35.3	Very low	123 Å²	123	156.2 Å²	156.2	86%	0.86	79%	0.794	S	S	*	*			cis	-152.3	162	20.8	36.3	0	0	0	0	115.4
468	S	38.2	Very low	35.3	Very low	110 Å²	110	156.8 Å²	156.8	77%	0.769	80%	0.796	S	S	*	*			trans	-128.4	159.6	164.2	165	0	0	0	0	108.1
469	P	50.3	Low	35.1	Very low	111 Å²	111	163.9 Å²	163.9	72%	0.721	81%	0.805	S	S	*	*				-154.3	147.8	129.1	36.7	-19.1	0	0	0	118.5
470	R	32.6	Very low	34.4	Very low	231 Å²	231	168.7 Å²	168.7	87%	0.872	81%	0.806	S	S	*	*			trans	140.8	136.6	136.5	-78	172	-176.5	-145.7	2.5	110.7
471	R	33	Very low	34.5	Very low	227 Å²	227	169.3 Å²	169.3	86%	0.857	81%	0.811	S	S	*	*			cis	-160.8	116	-23.2	-113.2	176.7	179	-119.4	5.3	104.9
472	R	31.5	Very low	34.1	Very low	202 Å²	202	164.8 Å²	164.8	76%	0.762	80%	0.803	S	S	*	*				42.5	135.7	96.2	-72.5	-174.4	175.2	175.8	0.8	114.9
473	S	31.8	Very low	33.5	Very low	114 Å²	114	167 Å²	167	80%	0.797	80%	0.803	S	S	*	*			cis	-137.5	156.6	42.6	31.2	0	0	0	0	113.8
474	R	33.7	Very low	33.4	Very low	199 Å²	199	163.5 Å²	163.5	75%	0.751	79%	0.79	S	S	*	*			cis	91.3	108.8	34.6	-84.7	-177.6	157.2	-168	-7	116.1
475	S	34	Very low	33.2	Very low	122 Å²	122	161.4 Å²	161.4	85%	0.853	79%	0.794	S	S	*	*			trans	-171.2	147	141.8	50.6	0	0	0	0	112.6
476	P	45.8	Very low	33.2	Very low	116 Å²	116	164.6 Å²	164.6	75%	0.753	79%	0.79	S	S	*	*			trans	-136.5	-178	173.1	43.9	-30.3	0	0	0	115.3
477	L	32.6	Very low	33	Very low	156 Å²	156	164.2 Å²	164.2	82%	0.817	79%	0.79	S	S	*	*			trans	78.8	128.4	160.2	-65.6	170.3	0	0	0	121.5
478	R	30.5	Very low	33	Very low	232 Å²	232	162.1 Å²	162.1	88%	0.875	79%	0.788	S	S	*	*			trans	26.3	128.8	143	-73.6	-177	164.4	-163.8	-3	121
479	R	30.8	Very low	32.7	Very low	260 Å²	260	167.5 Å²	167.5	98%	0.981	79%	0.792	S	S	*	*				-128.5	174.4	127.2	-86.5	-161.2	172.2	-154	-1	111.5
480	R	28.5	Very low	31.7	Very low	233 Å²	233	170.3 Å²	170.3	88%	0.879	80%	0.8	S	S	*	*			trans	-145.3	157.2	-166.2	-178.1	-174.1	-176.2	-161.3	2.7	108.5
481	S	29.9	Very low	31.6	Very low	122 Å²	122	169.4 Å²	169.4	85%	0.853	80%	0.796	S	S	*	*			trans	64.6	151.8	-174.9	66.1	0	0	0	0	115
482	G	28.3	Very low	31.6	Very low	64 Å²	64	165 Å²	165	66%	0.66	79%	0.785	S	S	*	*			cis	139.8	124.7	-9.8	0	0	0	0	0	112.7
483	E	30.1	Very low	31.4	Very low	158 Å²	158	165 Å²	165	74%	0.738	79%	0.787	S	S	*	*			trans	62.3	161.8	-172.4	-54.3	-159.3	99.4	0	0	113.2
484	R	29.5	Very low	31.3	Very low	153 Å²	153	170.7 Å²	170.7	58%	0.577	79%	0.791	S	S	*	*			cis	-152.8	142.2	-3.5	-142.5	170.8	-124.4	164.9	4.8	108.7	R486	R484-R486 HydrophobicContact CG-CG 4.48Å
485	D	30.8	Very low	31.1	Very low	154 Å²	154	172.4 Å²	172.4	82%	0.824	80%	0.797	S	S	*	*			trans	-178	157	136.3	-95.6	-23.6	0	0	0	110.1
486	R	31.3	Very low	30.8	Very low	169 Å²	169	171.2 Å²	171.2	64%	0.638	79%	0.789	S	S	*	*				-172.6	131.7	-62.3	-115.5	-177.2	170.8	-178.6	-0.2	104.9	R484	R484-R486 HydrophobicContact CG-CG 4.48Å
487	Y	29.8	Very low	29.9	Very low	192 Å²	192	174.2 Å²	174.2	75%	0.753	80%	0.795	S	S	*	*			trans	61.3	100.5	164.5	-71.8	-73.7	0	0	0	120.7
488	G	30.9	Very low	29.8	Very low	80 Å²	80	171.2 Å²	171.2	83%	0.825	79%	0.787	S	S	*	*			trans	-146.6	107.9	144.7	0	0	0	0	0	109.2
489	R	30.9	Very low	29.7	Very low	223 Å²	223	170.4 Å²	170.4	84%	0.842	78%	0.784	S	S	*	*			trans	-78.6	150	169.6	-64.9	-174.6	-178.8	-169.7	2.6	107.7
490	L	30.2	Very low	29.8	Very low	169 Å²	169	165.1 Å²	165.1	89%	0.885	78%	0.775	S	S	*	*				-160.1	171.3	80.2	-168.7	54	0	0	0	112
491	R	30.1	Very low	30	Very low	213 Å²	213	166.1 Å²	166.1	80%	0.804	78%	0.779	S	S	*	*			trans	-131.6	145.4	-177	-162.6	-171.1	-162.7	-167.4	7.5	109.1
492	Q	31.9	Very low	30	Very low	133 Å²	133	167.4 Å²	167.4	62%	0.621	77%	0.772	S	S	*	*			trans	70.8	149.2	-178	-45.3	172.3	-15.6	0	0	113
493	Y	28	Very low	30	Very low	203 Å²	203	172.4 Å²	172.4	80%	0.796	77%	0.771	S	S	*	*			cis	-101.2	-166.3	1.1	-87.4	-91.8	0	0	0	110.8
494	R	30.4	Very low	30.1	Very low	233 Å²	233	173.5 Å²	173.5	88%	0.879	77%	0.768	S	S	*	*			cis	-147.4	-168.2	10.5	-151	170.9	-177.2	154.9	0.6	110.1
495	R	27.9	Very low	30.1	Very low	236 Å²	236	175.2 Å²	175.2	89%	0.891	78%	0.775	S	S	*	*			trans	-133.5	178.1	167.7	-64.1	176.8	160.2	140.9	-10.2	106.9
496	S	29.5	Very low	30.2	Very low	97 Å²	97	178 Å²	178	68%	0.678	77%	0.773	S	S	*	*			cis	-176.7	160.6	30.3	57	0	0	0	0	112.9
497	M	26.1	Very low	30.1	Very low	178 Å²	178	181.5 Å²	181.5	88%	0.877	79%	0.787	S	S	*	*			trans	65	164.8	154.8	-65.9	-54.6	-173.2	0	0	118.1
498	S	30.2	Very low	30.1	Very low	94 Å²	94	177.3 Å²	177.3	66%	0.657	79%	0.786	S	S	*	*			cis	-172.7	173.7	-34.4	-164.7	0	0	0	0	110.4
499	R	29.3	Very low	30.3	Very low	214 Å²	214	182.9 Å²	182.9	81%	0.808	78%	0.782	S	S	*	*			trans	69.2	125.7	161.5	-68.5	-174.4	170.7	154.5	-1.7	120.7
500	D	32.3	Very low	30.3	Very low	149 Å²	149	178.8 Å²	178.8	80%	0.797	78%	0.777	S	S	*	*				37.2	128.2	122.2	-47.9	-56.2	0	0	0	120.3
501	R	31.7	Very low	30.6	Very low	254 Å²	254	176.7 Å²	176.7	96%	0.958	76%	0.762	S	S	*	*			trans	-105.2	123.8	169.8	-79.9	-179.9	166.8	170.7	-4.4	111.6
502	E	30.6	Very low	30.8	Very low	149 Å²	149	173.1 Å²	173.1	70%	0.696	76%	0.759	S	S	*	*			trans	-135.7	148.1	161.1	175.2	171.2	-161	0	0	110.4
503	R	29.2	Very low	31	Very low	170 Å²	170	172.8 Å²	172.8	64%	0.642	76%	0.755	S	S	*	*			trans	72.8	109.6	159.7	-83.5	165.7	-155.8	-171	17.6	122.3
504	R	30.8	Very low	31	Very low	180 Å²	180	172.7 Å²	172.7	68%	0.679	76%	0.76	S	S	*	*				71	136.9	109.4	-75.1	-176.8	-174.4	155.4	-3.3	122.7
505	R	30.8	Very low	31	Very low	190 Å²	190	169.9 Å²	169.9	72%	0.717	75%	0.754	S	S	*	*			trans	90.6	113.5	133.2	-78.6	166.4	176.9	-178.4	-2.2	122.8
506	R	31.8	Very low	31.1	Very low	211 Å²	211	162.4 Å²	162.4	80%	0.796	75%	0.75	S	S	*	*				87.3	144	119.4	-77	-178.8	168.2	-172.2	-5.4	123.1
507	R	29.3	Very low	31.1	Very low	243 Å²	243	163 Å²	163	92%	0.917	75%	0.754	S	S	*	*			trans	76	149.3	166.1	-66.3	169.7	173.7	166.1	-5.2	116
508	S	29.3	Very low	31.2	Very low	105 Å²	105	161.9 Å²	161.9	73%	0.734	75%	0.751	S	S	*	*			cis	-125.2	173.1	-5.5	56.4	0	0	0	0	110.1
509	R	35.1	Very low	31.2	Very low	197 Å²	197	162 Å²	162	74%	0.743	75%	0.752	S	S	*	*				55.8	126.1	51.6	-117.7	-166	169.3	-168.1	0.4	112.8
510	D	32.6	Very low	31.2	Very low	137 Å²	137	161.2 Å²	161.2	73%	0.733	76%	0.757	S	S	*	*				-149.3	-166.1	52.4	-78.3	-53.7	0	0	0	115
511	E	34.8	Very low	31.1	Very low	125 Å²	125	157.5 Å²	157.5	58%	0.584	76%	0.755	S	S	*	*			trans	-115.9	168.2	-167.6	-56.7	164.8	-175.9	0	0	113.3	K513	E511-K513 IonicContact OE2-NZ 3.31Å; E511-K513 PolarHBondContact OE2-NZ 3.26Å
512	D	36.1	Very low	31	Very low	137 Å²	137	154.4 Å²	154.4	73%	0.733	75%	0.753	S	S	*	*				173	160.9	129.2	-95.5	2.7	0	0	0	113.6
513	K	34.5	Very low	31	Very low	126 Å²	126	157.6 Å²	157.6	55%	0.548	77%	0.765	S	S	.	*			cis	-175.1	134.2	-43.1	-115.8	-176.1	-160.9	77.4	0	111	E511	E511-K513 IonicContact OE2-NZ 3.31Å; E511-K513 PolarHBondContact OE2-NZ 3.26Å
514	F	28.4	Very low	31.2	Very low	202 Å²	202	157.2 Å²	157.2	89%	0.886	78%	0.775	S	S	*	*			trans	-164.1	118.4	156.7	-135.5	-107.3	0	0	0	106.3
515	K	30.4	Very low	31.1	Very low	173 Å²	173	156.4 Å²	156.4	75%	0.752	78%	0.784	S	S	*	*			cis	70.2	127.9	47.2	-67.4	-165.2	170.9	-170.4	0	114
516	G	30	Very low	31.2	Very low	79 Å²	79	156.3 Å²	156.3	81%	0.814	79%	0.792	S	S	*	*			cis	126.8	122.1	-14.5	0	0	0	0	0	115.5
517	S	30.1	Very low	31	Very low	110 Å²	110	154.9 Å²	154.9	77%	0.769	79%	0.794	S	S	*	*			trans	-165.8	157.4	172.9	-141.6	0	0	0	0	107.8
518	L	27.5	Very low	30.9	Very low	155 Å²	155	148.4 Å²	148.4	81%	0.812	79%	0.786	S	S	*	*			cis	74.8	136.6	15.6	-54.1	178.1	0	0	0	115.4
519	S	30.8	Very low	30.9	Very low	95 Å²	95	147.7 Å²	147.7	66%	0.664	78%	0.781	S	S	*	*			cis	-166	128.3	-8.2	46.4	0	0	0	0	107.7
520	E	29	Very low	30.5	Very low	198 Å²	198	145 Å²	145	93%	0.925	78%	0.781	S	S	*	*				68.9	122.4	99.4	-162.6	176.7	-165.9	0	0	115.6
521	G	29.9	Very low	30.3	Very low	72 Å²	72	145.2 Å²	145.2	74%	0.742	78%	0.782	S	S	*	*			trans	178.4	60.5	-175.9	0	0	0	0	0	119.6
522	M	31	Very low	30.4	Very low	189 Å²	189	147.8 Å²	147.8	93%	0.931	79%	0.794	S	S	*	*			trans	35.9	115.2	154.1	-69	-178.2	159.1	0	0	121.8
523	K	29.5	Very low	30.1	Very low	215 Å²	215	148.6 Å²	148.6	94%	0.935	80%	0.796	S	S	*	*				-164.1	170.6	111.3	-106.6	170.4	-176.2	-177.8	0	111.4
524	L	34.4	Very low	29.9	Very low	163 Å²	163	148.3 Å²	148.3	85%	0.853	80%	0.799	S	S	*	*			trans	-95.1	125.4	-173.7	-82.1	157.3	0	0	0	111.4
525	D	28.3	Very low	29.9	Very low	162 Å²	162	148.1 Å²	148.1	87%	0.866	80%	0.801	S	S	*	*			trans	-152.7	170.5	152.7	-84.2	-52.7	0	0	0	108
526	Q	31.6	Very low	29.9	Very low	189 Å²	189	145.4 Å²	145.4	88%	0.883	80%	0.795	S	S	*	*			trans	-130.1	92.7	-161.9	-175.7	-179.7	-18.2	0	0	113.6
527	E	28.6	Very low	29.9	Very low	181 Å²	181	151.7 Å²	151.7	85%	0.846	80%	0.8	S	S	*	*			trans	-136.6	128.6	-176.7	-68.4	173.6	163.8	0	0	108
528	S	27.5	Very low	30.2	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	80%	0.804	S	S	*	*			cis	69.9	134.8	13.7	-155.6	0	0	0	0	115.5
529	S	29	Very low	30.5	Very low	91 Å²	91	151 Å²	151	64%	0.636	80%	0.798	S	S	*	*			trans	66.1	152.9	-171.3	-76.4	0	0	0	0	114.6
530	D	27	Very low	30.8	Very low	139 Å²	139	153 Å²	153	74%	0.743	80%	0.797	S	S	*	*				62.3	140.1	55.9	-25.3	-53.5	0	0	0	111
531	D	29.2	Very low	31.3	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	80%	0.795	S	S	*	*			cis	-156.9	163.3	15.8	-146.2	-21.9	0	0	0	111.8
532	E	36.2	Very low	32.1	Very low	180 Å²	180	155.6 Å²	155.6	84%	0.841	79%	0.793	S	S	*	*			trans	-152.5	139.3	173.6	-169.9	166.8	58.2	0	0	113.2
533	M	29.5	Very low	33.1	Very low	154 Å²	154	152.2 Å²	152.2	76%	0.759	78%	0.779	S	S	*	*			trans	-79.7	144.2	-172.7	-59.9	-67.9	159.5	0	0	112.6
534	L	31	Very low	34	Very low	120 Å²	120	149.6 Å²	149.6	63%	0.628	77%	0.77	S	S	*	*			cis	77.3	110.5	38.7	-69.5	165.2	0	0	0	116
535	E	28.4	Very low	34.6	Very low	197 Å²	197	149.2 Å²	149.2	92%	0.921	76%	0.764	S	S	*	*			trans	-128.7	133.7	133.1	-80	-167.9	148.9	0	0	106.7
536	D	30.4	Very low	36.1	Very low	116 Å²	116	144.4 Å²	144.4	62%	0.62	75%	0.747	S	S	*	*			trans	-83.3	159.2	-160.7	-53.7	-79.1	0	0	0	115.7
537	F	29.1	Very low	37.5	Very low	212 Å²	212	140.2 Å²	140.2	93%	0.93	73%	0.73	S	S	*	*			trans	-150.4	94.8	144.1	-122.4	-78	0	0	0	110.8
538	E	35.9	Very low	39	Very low	182 Å²	182	137 Å²	137	85%	0.85	72%	0.717	S	S	*	*			trans	-66	144.3	178.2	-62.1	-179.6	122.4	0	0	112.1
539	G	35.4	Very low	40.9	Very low	67 Å²	67	134.9 Å²	134.9	69%	0.691	70%	0.696	S	S	*	*			trans	-135.5	85.9	180	0	0	0	0	0	111.1	E541	G539-E541 PolarHBondContact O-N 2.86Å
540	E	35.7	Very low	42.6	Very low	137 Å²	137	135.6 Å²	135.6	64%	0.64	69%	0.689	S	S	*	*			trans	-41.3	126.3	-171.6	-57	170.8	120.2	0	0	115.5	R197	R197-E540 WeakPolarHBondContact CD-OE2 3.44Å; R197-E540 IonicContact CZ-OE2 2.75Å; R197-E540 PolarHBondContact NE-O 3.07Å; R197-E540 IonicContact NE-OE2 3.62Å; R197-E540 PolarHBondContact NE-OE2 2.86Å; R197-E540 IonicContact NH1-OE1 3.73Å; R197-E540 IonicContact NH1-OE2 3.95Å; R197-E540 PolarHBondContact NH1-OE2 3.15Å; R197-E540 VanDerWaalsContact NH2-C 3.33Å; R197-E540 PolarHBondContact NH2-O 3.19Å
541	E	40	Very low	44.4	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	68%	0.684	S	S	*	*			trans	-64.8	155.3	165.7	-66.4	-175.5	120.8	0	0	111.9	R197 G539	R197-E541 VanDerWaalsContact NH2-C 3.31Å; R197-E541 PolarHBondContact NH2-O 2.3Å; G539-E541 PolarHBondContact O-N 2.86Å
542	I	46.1	Very low	46.2	Very low	136 Å²	136	137.6 Å²	137.6	70%	0.697	68%	0.675	S	S	*	*			trans	-118.6	119.3	168.5	-60.4	178.7	0	0	0	106.8	E544	I542-E544 PolarHBondContact O-N 3.3Å; I542-E544 VanDerWaalsContact O-N 3.12Å
543	D	53.5	Low	47.8	Very low	118 Å²	118	134.5 Å²	134.5	63%	0.631	66%	0.661	S	S	*	*			trans	-51.8	115.2	-179	-74.8	-57.1	0	0	0	112.9	E545 A546	D543-E545 PolarHBondContact O-N 3.05Å; D543-A546 HydrophobicContact CB-CB 3.89Å; D543-A546 PolarHBondContact O-N 3.49Å
544	E	46.9	Very low	49.6	Very low	160 Å²	160	132.2 Å²	132.2	75%	0.748	65%	0.648	S	S	*	*	H	α-helix	trans	-62.1	-29	167.1	-61.4	-160.6	135	0	0	110.8	I542 A546 L547 I548	I542-E544 PolarHBondContact O-N 3.3Å; I542-E544 VanDerWaalsContact O-N 3.12Å; E544-A546 PolarHBondContact O-N 2.83Å; E544-L547 WeakPolarHBondContact O-CB 3.35Å; E544-L547 PolarHBondContact O-N 3.44Å; E544-I548 WeakPolarHBondContact O-CG1 3.05Å; E544-I548 PolarHBondContact O-N 3.02Å
545	E	47.8	Very low	51.2	Low	154 Å²	154	135.7 Å²	135.7	72%	0.72	65%	0.653	S	S	*	*	H	α-helix	trans	-62.7	-40.1	175.8	-170.6	160.8	-127.4	0	0	112.2	D543 L547 I548 E549	D543-E545 PolarHBondContact O-N 3.05Å; E545-L547 VanDerWaalsContact C-N 3.3Å; E545-L547 PolarHBondContact O-N 2.92Å; E545-I548 PolarHBondContact O-N 3.37Å; E545-E549 WeakPolarHBondContact O-CB 3.24Å; E545-E549 PolarHBondContact O-N 3.17Å
546	A	60	Low	52.8	Low	61 Å²	61	131.7 Å²	131.7	50%	0.504	64%	0.636	S	S	.	*	H	α-helix	trans	-64.8	-34.1	174.9	0	0	0	0	0	112.3	D543 E544 Q550	D543-A546 HydrophobicContact CB-CB 3.89Å; D543-A546 PolarHBondContact O-N 3.49Å; E544-A546 PolarHBondContact O-N 2.83Å; A546-Q550 VanDerWaalsContact O-CB 3.32Å; A546-Q550 WeakPolarHBondContact O-CB 3.34Å; A546-Q550 PolarHBondContact O-N 3.21Å
547	L	61.3	Low	54.7	Low	101 Å²	101	128.6 Å²	128.6	53%	0.529	63%	0.627	S	S	.	*	H	α-helix	trans	-73.5	-32.8	176.1	-167.8	68.1	0	0	0	112.2	E544 E545 R551	E544-L547 WeakPolarHBondContact O-CB 3.35Å; E544-L547 PolarHBondContact O-N 3.44Å; E545-L547 VanDerWaalsContact C-N 3.3Å; E545-L547 PolarHBondContact O-N 2.92Å; L547-R551 PolarHBondContact O-N 2.8Å
548	I	59.2	Low	56.7	Low	114 Å²	114	123.4 Å²	123.4	59%	0.585	61%	0.607	S	S	*	*	H	α-helix	trans	-68.8	-47.1	172.9	-69.5	164.8	0	0	0	110.4	E544 E545 R551 R552	E544-I548 WeakPolarHBondContact O-CG1 3.05Å; E544-I548 PolarHBondContact O-N 3.02Å; E545-I548 PolarHBondContact O-N 3.37Å; I548-R551 WeakPolarHBondContact O-CB 3.39Å; I548-R551 PolarHBondContact O-N 2.94Å; I548-R551 VanDerWaalsContact O-N 3.17Å; I548-R552 PolarHBondContact O-N 3.16Å
549	E	68.4	Low	58.2	Low	62 Å²	62	119.5 Å²	119.5	29%	0.29	60%	0.596	S	S	.	*	H	α-helix	trans	-67.9	-35.5	179	-169	53.3	-135.1	0	0	111.5	E545 R551 R552 Q553	E545-E549 WeakPolarHBondContact O-CB 3.24Å; E545-E549 PolarHBondContact O-N 3.17Å; E549-R551 VanDerWaalsContact C-N 3.34Å; E549-R551 PolarHBondContact O-N 2.99Å; E549-R552 WeakPolarHBondContact O-CB 3.2Å; E549-R552 PolarHBondContact O-N 2.78Å; E549-R552 VanDerWaalsContact O-N 3.11Å; E549-R552 WeakPolarHBondContact OE1-CD 3.07Å; E549-R552 IonicContact OE1-NH1 3.39Å; E549-R552 WeakPolarHBondContact OE2-CD 3.4Å; E549-R552 IonicContact OE2-CZ 2.69Å; E549-R552 IonicContact OE2-NE 2.68Å; E549-R552 IonicContact OE2-NH1 2.82Å; E549-R552 PolarHBondContact OE2-NH1 3.37Å; E549-Q553 WeakPolarHBondContact O-CG 3.25Å; E549-Q553 PolarHBondContact O-N 2.91Å
550	Q	64.4	Low	59.3	Low	106 Å²	106	122.8 Å²	122.8	50%	0.495	59%	0.593	S	S	.	*	H	α-helix	trans	-60.7	-41	170.2	-172.9	-179.9	72.2	0	0	112.1	A546 R552 Q553 Q554	A546-Q550 VanDerWaalsContact O-CB 3.32Å; A546-Q550 WeakPolarHBondContact O-CB 3.34Å; A546-Q550 PolarHBondContact O-N 3.21Å; Q550-R552 VanDerWaalsContact C-N 3.32Å; Q550-Q553 PolarHBondContact O-N 3.19Å; Q550-Q554 WeakPolarHBondContact O-CG 3.25Å; Q550-Q554 PolarHBondContact O-N 3.01Å
551	R	64.3	Low	60.8	Low	171 Å²	171	123.6 Å²	123.6	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-65.9	-33.4	172.9	-86.6	177.1	162.8	168.1	-2.9	112.7	L547 I548 E549 R555	L547-R551 PolarHBondContact O-N 2.8Å; I548-R551 WeakPolarHBondContact O-CB 3.39Å; I548-R551 PolarHBondContact O-N 2.94Å; I548-R551 VanDerWaalsContact O-N 3.17Å; E549-R551 VanDerWaalsContact C-N 3.34Å; E549-R551 PolarHBondContact O-N 2.99Å; R551-R555 WeakPolarHBondContact O-CG 3.43Å; R551-R555 PolarHBondContact O-N 3.1Å; R551-R555 VanDerWaalsContact O-N 3.14Å
552	R	67.2	Low	61.4	Low	152 Å²	152	123.4 Å²	123.4	57%	0.574	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-46.3	175.2	-163.1	-171.2	-171.5	-177.4	0.1	111.1	I548 E549 Q550 Q554 R555 M556	I548-R552 PolarHBondContact O-N 3.16Å; E549-R552 WeakPolarHBondContact O-CB 3.2Å; E549-R552 PolarHBondContact O-N 2.78Å; E549-R552 VanDerWaalsContact O-N 3.11Å; E549-R552 WeakPolarHBondContact OE1-CD 3.07Å; E549-R552 IonicContact OE1-NH1 3.39Å; E549-R552 WeakPolarHBondContact OE2-CD 3.4Å; E549-R552 IonicContact OE2-CZ 2.69Å; E549-R552 IonicContact OE2-NE 2.68Å; E549-R552 IonicContact OE2-NH1 2.82Å; E549-R552 PolarHBondContact OE2-NH1 3.37Å; Q550-R552 VanDerWaalsContact C-N 3.32Å; R552-Q554 PolarHBondContact O-N 2.91Å; R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 PolarHBondContact O-N 3.39Å; R552-R555 VanDerWaalsContact O-N 3.16Å; R552-M556 WeakPolarHBondContact O-CG 3.31Å; R552-M556 PolarHBondContact O-N 3.24Å
553	Q	69.1	Low	61.4	Low	114 Å²	114	123.6 Å²	123.6	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-61.4	-41.9	174.6	-70.1	174.7	14.2	0	0	112	E549 Q550 R555 M556 A557	E549-Q553 WeakPolarHBondContact O-CG 3.25Å; E549-Q553 PolarHBondContact O-N 2.91Å; Q550-Q553 PolarHBondContact O-N 3.19Å; Q553-R555 VanDerWaalsContact C-N 3.32Å; Q553-R555 PolarHBondContact O-N 2.92Å; Q553-M556 PolarHBondContact O-N 3.42Å; Q553-A557 WeakPolarHBondContact O-CB 3.36Å; Q553-A557 PolarHBondContact O-N 3.49Å
554	Q	68.3	Low	61	Low	107 Å²	107	121.9 Å²	121.9	50%	0.5	58%	0.576	S	S	.	*	H	α-helix	trans	-60.1	-39.4	173.7	-74.6	172.4	7.8	0	0	112.4	Q550 R552 I558	Q550-Q554 WeakPolarHBondContact O-CG 3.25Å; Q550-Q554 PolarHBondContact O-N 3.01Å; R552-Q554 PolarHBondContact O-N 2.91Å; Q554-I558 WeakPolarHBondContact O-CD1 3.49Å; Q554-I558 VanDerWaalsContact O-CG1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.45Å; Q554-I558 PolarHBondContact O-N 3.49Å; Q554-I558 VanDerWaalsContact O-N 3.14Å
555	R	64	Low	60.7	Low	193 Å²	193	119.8 Å²	119.8	73%	0.728	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-43.4	173.3	-72.9	176.5	175.3	-167.9	-1.9	112.1	R551 R552 Q553 I558 V559	R551-R555 WeakPolarHBondContact O-CG 3.43Å; R551-R555 PolarHBondContact O-N 3.1Å; R551-R555 VanDerWaalsContact O-N 3.14Å; R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 PolarHBondContact O-N 3.39Å; R552-R555 VanDerWaalsContact O-N 3.16Å; Q553-R555 VanDerWaalsContact C-N 3.32Å; Q553-R555 PolarHBondContact O-N 2.92Å; R555-I558 PolarHBondContact O-N 2.82Å; R555-V559 WeakPolarHBondContact O-CG2 3.34Å; R555-V559 PolarHBondContact O-N 2.78Å; R555-V559 VanDerWaalsContact O-N 3.08Å
556	M	61.7	Low	60.2	Low	112 Å²	112	119.1 Å²	119.1	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-66	-38.5	177.5	-63.3	-144.4	-62	0	0	112.5	R552 Q553 I558 V559 Q560	R552-M556 WeakPolarHBondContact O-CG 3.31Å; R552-M556 PolarHBondContact O-N 3.24Å; Q553-M556 PolarHBondContact O-N 3.42Å; M556-I558 VanDerWaalsContact C-N 3.35Å; M556-I558 PolarHBondContact O-N 3.44Å; M556-V559 PolarHBondContact O-N 2.89Å; M556-Q560 PolarHBondContact O-N 3.43Å
557	A	71.3	Confident	59.1	Low	52 Å²	52	123 Å²	123	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-64.4	-37.2	175.6	0	0	0	0	0	112.5	Q553 K561	Q553-A557 WeakPolarHBondContact O-CB 3.36Å; Q553-A557 PolarHBondContact O-N 3.49Å; A557-K561 VanDerWaalsContact O-CB 3.29Å; A557-K561 WeakPolarHBondContact O-CB 3.41Å; A557-K561 PolarHBondContact O-N 3.14Å
558	I	69.6	Low	57.7	Low	102 Å²	102	126.9 Å²	126.9	52%	0.523	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-45	172.3	-69.7	165.2	0	0	0	110.4	Q554 R555 M556 K561 Y562	Q554-I558 WeakPolarHBondContact O-CD1 3.49Å; Q554-I558 VanDerWaalsContact O-CG1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.45Å; Q554-I558 PolarHBondContact O-N 3.49Å; Q554-I558 VanDerWaalsContact O-N 3.14Å; R555-I558 PolarHBondContact O-N 2.82Å; M556-I558 VanDerWaalsContact C-N 3.35Å; M556-I558 PolarHBondContact O-N 3.44Å; I558-K561 PolarHBondContact O-N 3.35Å; I558-Y562 HydrophobicContact CG2-CD2 4.05Å; I558-Y562 HydrophobicContact CG2-CE2 4.1Å; I558-Y562 WeakPolarHBondContact O-CD2 3.12Å; I558-Y562 PolarHBondContact O-N 3.43Å; I558-Y562 VanDerWaalsContact O-N 3.15Å
559	V	68.3	Low	56.5	Low	101 Å²	101	127.1 Å²	127.1	61%	0.612	61%	0.606	S	S	*	*	H	α-helix	trans	-63.3	-43.2	177.6	172.3	0	0	0	0	111.7	R555 M556 Y562 K563	R555-V559 WeakPolarHBondContact O-CG2 3.34Å; R555-V559 PolarHBondContact O-N 2.78Å; R555-V559 VanDerWaalsContact O-N 3.08Å; M556-V559 PolarHBondContact O-N 2.89Å; V559-Y562 PolarHBondContact O-N 3.04Å; V559-K563 PolarHBondContact O-N 3.39Å; V559-K563 VanDerWaalsContact O-N 3.07Å
560	Q	59.2	Low	54.6	Low	135 Å²	135	131.2 Å²	131.2	63%	0.631	63%	0.63	S	S	*	*	H	α-helix	trans	-61.2	-43.6	173.6	-79.4	-176	-51.5	0	0	112	M556 Y562 K563 T564	M556-Q560 PolarHBondContact O-N 3.43Å; Q560-Y562 VanDerWaalsContact C-N 3.26Å; Q560-Y562 PolarHBondContact O-N 3.17Å; Q560-K563 WeakPolarHBondContact O-CA 3.5Å; Q560-K563 WeakPolarHBondContact O-CB 3.33Å; Q560-K563 PolarHBondContact O-N 2.98Å; Q560-T564 PolarHBondContact O-N 2.84Å; Q560-T564 PolarHBondContact O-OG1 3.01Å
561	K	66.1	Low	52.9	Low	155 Å²	155	134.1 Å²	134.1	67%	0.674	65%	0.646	S	S	*	*	H	α-helix	trans	-63.4	-28.5	-179.7	-171.4	173	-177.9	179.2	0	113.5	A557 I558 T564 V565	A557-K561 VanDerWaalsContact O-CB 3.29Å; A557-K561 WeakPolarHBondContact O-CB 3.41Å; A557-K561 PolarHBondContact O-N 3.14Å; I558-K561 PolarHBondContact O-N 3.35Å; K561-T564 PolarHBondContact O-OG1 3.42Å; K561-V565 WeakPolarHBondContact O-CG2 3.3Å
562	Y	52.1	Low	51.2	Low	186 Å²	186	132.5 Å²	132.5	73%	0.729	65%	0.654	S	S	*	*	H	α-helix	trans	-86	-15.5	170.5	-77.7	-70.8	0	0	0	113.9	I558 V559 Q560	I558-Y562 HydrophobicContact CG2-CD2 4.05Å; I558-Y562 HydrophobicContact CG2-CE2 4.1Å; I558-Y562 WeakPolarHBondContact O-CD2 3.12Å; I558-Y562 PolarHBondContact O-N 3.43Å; I558-Y562 VanDerWaalsContact O-N 3.15Å; V559-Y562 PolarHBondContact O-N 3.04Å; Q560-Y562 VanDerWaalsContact C-N 3.26Å; Q560-Y562 PolarHBondContact O-N 3.17Å
563	K	47.3	Very low	49.6	Very low	140 Å²	140	130.8 Å²	130.8	61%	0.609	67%	0.666	S	S	*	*	H	α-helix	trans	-76.7	-45.3	171.7	-129.7	-171.5	179.9	-154.5	0	111.9	V559 Q560 V565 N566	V559-K563 PolarHBondContact O-N 3.39Å; V559-K563 VanDerWaalsContact O-N 3.07Å; Q560-K563 WeakPolarHBondContact O-CA 3.5Å; Q560-K563 WeakPolarHBondContact O-CB 3.33Å; Q560-K563 PolarHBondContact O-N 2.98Å; K563-V565 VanDerWaalsContact C-N 3.26Å; K563-V565 PolarHBondContact O-N 3.21Å; K563-N566 PolarHBondContact O-N 3.07Å; K563-N566 VanDerWaalsContact O-N 3.09Å
564	T	44.5	Very low	47.6	Very low	81 Å²	81	132.9 Å²	132.9	50%	0.497	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-65.3	-23.1	-176.5	50.9	0	0	0	0	114.5	Q560 K561 N566	Q560-T564 PolarHBondContact O-N 2.84Å; Q560-T564 PolarHBondContact O-OG1 3.01Å; K561-T564 PolarHBondContact O-OG1 3.42Å; T564-N566 PolarHBondContact O-N 3.48Å
565	V	40	Very low	46.5	Very low	117 Å²	117	133 Å²	133	71%	0.709	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-71.8	-14.4	176.6	176.9	0	0	0	0	112.1	K561 K563	K561-V565 WeakPolarHBondContact O-CG2 3.3Å; K563-V565 VanDerWaalsContact C-N 3.26Å; K563-V565 PolarHBondContact O-N 3.21Å
566	N	38.7	Very low	44.6	Very low	139 Å²	139	128.9 Å²	128.9	74%	0.743	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-105.7	9.5	-174	-148.2	92.2	0	0	0	113.9	K563 T564	K563-N566 PolarHBondContact O-N 3.07Å; K563-N566 VanDerWaalsContact O-N 3.09Å; T564-N566 PolarHBondContact O-N 3.48Å
567	E	36.8	Very low	43.1	Very low	143 Å²	143	128.8 Å²	128.8	67%	0.668	70%	0.696	S	S	*	*	S	Bend	trans	-120.6	-9.2	-177	-70.8	176.5	168.1	0	0	113.9
568	E	32.3	Very low	42.1	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	71%	0.71	S	S	*	*	S	Bend	trans	-98.3	31.6	179.4	-70	-164.8	159.8	0	0	115.2
569	T	33.6	Very low	40.3	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	72%	0.724	S	S	*	*	S	Bend	trans	-142.2	70.2	165.4	53	0	0	0	0	113.6
570	N	28.5	Very low	38.6	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	73%	0.733	S	S	*	*			trans	167.7	130.1	131.7	-92.7	-44.2	0	0	0	112.9
571	M	28.8	Very low	37.3	Very low	168 Å²	168	134 Å²	134	83%	0.828	74%	0.736	S	S	*	*			trans	156.2	105	133.2	-88.3	-70.2	108.1	0	0	112.4
572	V	28.8	Very low	35.8	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	74%	0.743	S	S	*	*			trans	-145.8	118.5	153.7	178.7	0	0	0	0	110.3
573	S	32	Very low	34.7	Very low	117 Å²	117	135.2 Å²	135.2	82%	0.818	75%	0.751	S	S	*	*			trans	69.3	129.2	156.1	-61	0	0	0	0	123.1
574	E	28.5	Very low	34.3	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	76%	0.759	S	S	*	*			trans	-83.6	-179	172.1	-146.4	-160.4	-97.6	0	0	111.1	S576	E574-S576 PolarHBondContact OE2-N 3.42Å
575	P	45.3	Very low	34.1	Very low	111 Å²	111	142 Å²	142	72%	0.721	78%	0.78	S	S	*	*				-148.4	164.3	69.5	39.2	-19.6	0	0	0	118.8
576	S	22.5	Very low	34.4	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	78%	0.781	S	S	*	*			trans	108.9	154.6	145.1	79.5	0	0	0	0	120	E574	E574-S576 PolarHBondContact OE2-N 3.42Å
577	S	30.9	Very low	35.1	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	77%	0.771	S	S	*	*			trans	-129.6	180	-160.1	-69.6	0	0	0	0	110.6
578	P	50.7	Low	36.3	Very low	110 Å²	110	134 Å²	134	71%	0.714	75%	0.754	S	S	*	*			cis	-146	177.2	14.2	43.4	-23.1	0	0	0	119.8
579	Q	31.1	Very low	37.5	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	74%	0.743	S	S	*	*			trans	77.8	103.3	144.7	-86.4	176	-4.9	0	0	124.1
580	S	32.1	Very low	38.8	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	74%	0.736	S	S	*	*			trans	72.9	149.6	135.1	82.3	0	0	0	0	119.5
581	S	33	Very low	40.5	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	72%	0.716	S	S	*	*			cis	-148.4	153.8	5.4	58.9	0	0	0	0	113.7
582	T	33.4	Very low	42.2	Very low	132 Å²	132	122.5 Å²	122.5	81%	0.81	70%	0.701	S	S	*	*			trans	24.7	123	154.8	56.2	0	0	0	0	121.6
583	R	30.7	Very low	43.9	Very low	236 Å²	236	121.6 Å²	121.6	89%	0.891	69%	0.691	S	S	*	*				160.9	149.2	103.7	-173.9	171.2	176.8	172.2	-1.9	112.6
584	S	37.4	Very low	45.7	Very low	112 Å²	112	123 Å²	123	78%	0.783	69%	0.685	S	S	*	*			trans	73.2	114.9	174.9	-26.7	0	0	0	0	115.9
585	R	41.9	Very low	47.6	Very low	252 Å²	252	122.8 Å²	122.8	95%	0.951	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-87.9	137.6	165.6	-78.8	179.9	168.9	176.1	-5.7	110.1
586	S	46	Very low	48.9	Very low	104 Å²	104	121.4 Å²	121.4	73%	0.727	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-75.8	154.4	153.4	51.3	0	0	0	0	110.1
587	P	53	Low	51.2	Low	81 Å²	81	119.2 Å²	119.2	53%	0.526	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-63.5	147.3	174.8	-19.4	32.4	0	0	0	112.6	D591	P587-D591 WeakPolarHBondContact CA-OD2 3.49Å; P587-D591 HydrophobicContact CB-CB 3.86Å
588	S	61.8	Low	53	Low	44 Å²	44	116.5 Å²	116.5	31%	0.308	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-67.2	154.3	165.3	-169.8	0	0	0	0	110.5	D590 D591 I592	S588-D590 PolarHBondContact O-N 3.32Å; S588-D590 VanDerWaalsContact O-N 3.16Å; S588-D590 PolarHBondContact OG-N 3.27Å; S588-D590 PolarHBondContact OG-OD2 3.1Å; S588-D591 WeakPolarHBondContact CB-OD2 3.34Å; S588-D591 PolarHBondContact N-OD2 3.2Å; S588-D591 WeakPolarHBondContact O-CB 3.47Å; S588-D591 PolarHBondContact O-N 2.84Å; S588-I592 PolarHBondContact O-N 2.99Å
589	P	57.9	Low	54	Low	96 Å²	96	116.1 Å²	116.1	62%	0.623	63%	0.631	S	S	*	*	H	α-helix	trans	-50.5	-31.7	162.7	-28.5	37.1	0	0	0	113.5	I592 L593	P589-I592 WeakPolarHBondContact O-CB 3.33Å; P589-I592 PolarHBondContact O-N 3.46Å; P589-L593 PolarHBondContact O-N 3.01Å; P589-L593 VanDerWaalsContact O-N 3.08Å
590	D	59.7	Low	56	Low	111 Å²	111	111.8 Å²	111.8	59%	0.594	62%	0.616	S	S	*	*	H	α-helix	trans	-67.9	-38.9	176.2	-47.9	-65.8	0	0	0	112.4	S588 I592 L593 E594	S588-D590 PolarHBondContact O-N 3.32Å; S588-D590 VanDerWaalsContact O-N 3.16Å; S588-D590 PolarHBondContact OG-N 3.27Å; S588-D590 PolarHBondContact OG-OD2 3.1Å; D590-I592 PolarHBondContact O-N 2.8Å; D590-I592 VanDerWaalsContact O-N 3.14Å; D590-L593 PolarHBondContact O-N 3.48Å; D590-E594 PolarHBondContact O-N 2.71Å
591	D	64.2	Low	57.8	Low	69 Å²	69	112.7 Å²	112.7	37%	0.369	61%	0.606	S	S	.	*	H	α-helix	trans	-63.5	-18.4	175.5	-67.3	-51.4	0	0	0	112.3	P587 S588 R595	P587-D591 WeakPolarHBondContact CA-OD2 3.49Å; P587-D591 HydrophobicContact CB-CB 3.86Å; S588-D591 WeakPolarHBondContact CB-OD2 3.34Å; S588-D591 PolarHBondContact N-OD2 3.2Å; S588-D591 WeakPolarHBondContact O-CB 3.47Å; S588-D591 PolarHBondContact O-N 2.84Å; D591-R595 WeakPolarHBondContact O-CG 3.44Å; D591-R595 PolarHBondContact O-NH1 3.35Å
592	I	66.4	Low	59.6	Low	100 Å²	100	112.7 Å²	112.7	51%	0.513	60%	0.595	S	S	.	*	H	α-helix	trans	-90.4	-43.7	176.9	-58.8	173.5	0	0	0	109.7	S588 P589 D590 R595 V596	S588-I592 PolarHBondContact O-N 2.99Å; P589-I592 WeakPolarHBondContact O-CB 3.33Å; P589-I592 PolarHBondContact O-N 3.46Å; D590-I592 PolarHBondContact O-N 2.8Å; D590-I592 VanDerWaalsContact O-N 3.14Å; I592-R595 PolarHBondContact O-N 3.43Å; I592-V596 WeakPolarHBondContact O-CG2 3.24Å; I592-V596 PolarHBondContact O-N 3.29Å
593	L	63.7	Low	61.2	Low	118 Å²	118	113.9 Å²	113.9	62%	0.618	59%	0.585	S	S	*	*	H	α-helix	trans	-61.2	-41.2	174.2	-89.8	154	0	0	0	112.6	P589 D590 V596 A597	P589-L593 PolarHBondContact O-N 3.01Å; P589-L593 VanDerWaalsContact O-N 3.08Å; D590-L593 PolarHBondContact O-N 3.48Å; L593-V596 PolarHBondContact O-N 2.97Å; L593-A597 WeakPolarHBondContact O-CB 3.34Å; L593-A597 PolarHBondContact O-N 3.38Å
594	E	69.3	Low	62.9	Low	147 Å²	147	108 Å²	108	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-67.1	-36	177	-171.2	167.8	-147.5	0	0	112.2	D590 A597 A598	D590-E594 PolarHBondContact O-N 2.71Å; E594-A597 PolarHBondContact O-N 2.68Å; E594-A598 WeakPolarHBondContact O-CB 3.44Å; E594-A598 PolarHBondContact O-N 3.3Å
595	R	68.8	Low	64	Low	152 Å²	152	108.6 Å²	108.6	57%	0.574	55%	0.553	S	S	*	*	H	α-helix	trans	-64.8	-49.7	172	-80	179.5	177.2	79.8	0.2	112.4	D591 I592 A597 A598 D599	D591-R595 WeakPolarHBondContact O-CG 3.44Å; D591-R595 PolarHBondContact O-NH1 3.35Å; I592-R595 PolarHBondContact O-N 3.43Å; R595-A597 PolarHBondContact O-N 3.1Å; R595-A598 WeakPolarHBondContact O-CA 3.34Å; R595-A598 WeakPolarHBondContact O-CB 3.03Å; R595-A598 PolarHBondContact O-N 3.25Å; R595-D599 VanDerWaalsContact O-CG 3.29Å; R595-D599 PolarHBondContact O-N 2.97Å
596	V	72.2	Confident	65.1	Low	82 Å²	82	102.6 Å²	102.6	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-61.1	-35.5	178.5	173	0	0	0	0	111.2	I592 L593 V600	I592-V596 WeakPolarHBondContact O-CG2 3.24Å; I592-V596 PolarHBondContact O-N 3.29Å; L593-V596 PolarHBondContact O-N 2.97Å; V596-V600 WeakPolarHBondContact O-CG2 3.46Å; V596-V600 PolarHBondContact O-N 3.23Å
597	A	70.3	Confident	65.7	Low	60 Å²	60	101.3 Å²	101.3	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-34.2	172.7	0	0	0	0	0	113.2	L593 E594 R595 K601	L593-A597 WeakPolarHBondContact O-CB 3.34Å; L593-A597 PolarHBondContact O-N 3.38Å; E594-A597 PolarHBondContact O-N 2.68Å; R595-A597 PolarHBondContact O-N 3.1Å; A597-K601 VanDerWaalsContact O-CB 3.26Å; A597-K601 WeakPolarHBondContact O-CB 3.33Å; A597-K601 PolarHBondContact O-N 3.09Å
598	A	70.4	Confident	66	Low	51 Å²	51	103 Å²	103	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-46.8	173.6	0	0	0	0	0	111.9	E594 R595 V600 K601 E602	E594-A598 WeakPolarHBondContact O-CB 3.44Å; E594-A598 PolarHBondContact O-N 3.3Å; R595-A598 WeakPolarHBondContact O-CA 3.34Å; R595-A598 WeakPolarHBondContact O-CB 3.03Å; R595-A598 PolarHBondContact O-N 3.25Å; A598-V600 PolarHBondContact O-N 2.99Å; A598-K601 CarbonylContact O-C 3.15Å; A598-K601 WeakPolarHBondContact O-CA 3.29Å; A598-K601 PolarHBondContact O-N 2.92Å; A598-K601 VanDerWaalsContact O-N 3.09Å; A598-E602 PolarHBondContact O-N 3.06Å
599	D	70.4	Confident	65.9	Low	103 Å²	103	106 Å²	106	55%	0.551	54%	0.537	S	S	*	.	H	α-helix	trans	-59.7	-46	-179.3	-64.8	-17.4	0	0	0	111.6	R595 K601 E602 Y603	R595-D599 VanDerWaalsContact O-CG 3.29Å; R595-D599 PolarHBondContact O-N 2.97Å; D599-K601 VanDerWaalsContact C-N 3.3Å; D599-K601 PolarHBondContact O-N 3.33Å; D599-E602 WeakPolarHBondContact O-CB 3.41Å; D599-E602 PolarHBondContact O-N 3.1Å; D599-Y603 PolarHBondContact O-N 2.97Å
600	V	73.8	Confident	66.2	Low	81 Å²	81	105.7 Å²	105.7	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-59.8	-42	174.6	170	0	0	0	0	111	V596 A598 E602 Y603 E604	V596-V600 WeakPolarHBondContact O-CG2 3.46Å; V596-V600 PolarHBondContact O-N 3.23Å; A598-V600 PolarHBondContact O-N 2.99Å; V600-E602 VanDerWaalsContact C-N 3.27Å; V600-E602 PolarHBondContact O-N 3.36Å; V600-Y603 PolarHBondContact O-N 3.04Å; V600-E604 WeakPolarHBondContact O-CG 3.03Å; V600-E604 PolarHBondContact O-N 3.1Å
601	K	70.5	Confident	65.8	Low	137 Å²	137	107.2 Å²	107.2	60%	0.596	54%	0.536	S	S	*	.	H	α-helix	trans	-77.6	-10	-179.2	-160.2	171.9	-172.1	175.6	0	113.3	A597 A598 D599 R605	A597-K601 VanDerWaalsContact O-CB 3.26Å; A597-K601 WeakPolarHBondContact O-CB 3.33Å; A597-K601 PolarHBondContact O-N 3.09Å; A598-K601 CarbonylContact O-C 3.15Å; A598-K601 WeakPolarHBondContact O-CA 3.29Å; A598-K601 PolarHBondContact O-N 2.92Å; A598-K601 VanDerWaalsContact O-N 3.09Å; D599-K601 VanDerWaalsContact C-N 3.3Å; D599-K601 PolarHBondContact O-N 3.33Å; K601-R605 VanDerWaalsContact O-CZ 3.32Å; K601-R605 PolarHBondContact O-NE 3.01Å; K601-R605 PolarHBondContact O-NH2 3.19Å; K601-R605 VanDerWaalsContact O-NH2 3.08Å
602	E	69.5	Low	65.5	Low	99 Å²	99	108.8 Å²	108.8	46%	0.463	54%	0.541	S	S	.	.	H	α-helix	trans	-85.5	-48	167.4	-165.6	115.9	-91.1	0	0	110	A598 D599 V600 E604 R605 E606	A598-E602 PolarHBondContact O-N 3.06Å; D599-E602 WeakPolarHBondContact O-CB 3.41Å; D599-E602 PolarHBondContact O-N 3.1Å; V600-E602 VanDerWaalsContact C-N 3.27Å; V600-E602 PolarHBondContact O-N 3.36Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.43Å; E602-R605 WeakPolarHBondContact O-CA 3.47Å; E602-R605 WeakPolarHBondContact O-CB 2.86Å; E602-R605 PolarHBondContact O-N 2.85Å; E602-R605 IonicContact OE1-CZ 3.16Å; E602-R605 IonicContact OE1-NH1 2.75Å; E602-R605 PolarHBondContact OE1-NH1 2.85Å; E602-R605 IonicContact OE1-NH2 2.88Å; E602-R605 PolarHBondContact OE1-NH2 3.08Å; E602-R605 VanDerWaalsContact OE1-NH2 3.16Å; E602-E606 PolarHBondContact O-N 3.03Å
603	Y	67.6	Low	65.3	Low	157 Å²	157	106.8 Å²	106.8	62%	0.616	54%	0.539	S	S	*	.	H	α-helix	trans	-56.5	-40.8	174.7	-175.5	-103.4	0	0	0	112.6	D599 V600 R605 E606 N607	D599-Y603 PolarHBondContact O-N 2.97Å; V600-Y603 PolarHBondContact O-N 3.04Å; Y603-R605 VanDerWaalsContact C-N 3.34Å; Y603-R605 PolarHBondContact O-N 2.97Å; Y603-E606 PolarHBondContact O-N 3.47Å; Y603-N607 WeakPolarHBondContact CE1-ND2 3.25Å; Y603-N607 PolarHBondContact O-N 3.36Å; Y603-N607 VanDerWaalsContact O-N 3.13Å; Y603-N607 PolarHBondContact O-ND2 3.22Å
604	E	66.4	Low	65.2	Low	113 Å²	113	103.8 Å²	103.8	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-37.3	172.5	-74.2	179.9	159.2	0	0	112.8	V600 E602 L608	V600-E604 WeakPolarHBondContact O-CG 3.03Å; V600-E604 PolarHBondContact O-N 3.1Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.43Å; E604-L608 WeakPolarHBondContact O-CG 3.3Å; E604-L608 PolarHBondContact O-N 2.94Å
605	R	61.4	Low	65.2	Low	123 Å²	123	100.8 Å²	100.8	46%	0.464	52%	0.516	S	S	.	.	H	α-helix	trans	-70.1	-38.9	176.9	-85.9	177.7	-76.3	133.3	2.9	112.3	K601 E602 Y603 L608 N609	K601-R605 VanDerWaalsContact O-CZ 3.32Å; K601-R605 PolarHBondContact O-NE 3.01Å; K601-R605 PolarHBondContact O-NH2 3.19Å; K601-R605 VanDerWaalsContact O-NH2 3.08Å; E602-R605 WeakPolarHBondContact O-CA 3.47Å; E602-R605 WeakPolarHBondContact O-CB 2.86Å; E602-R605 PolarHBondContact O-N 2.85Å; E602-R605 IonicContact OE1-CZ 3.16Å; E602-R605 IonicContact OE1-NH1 2.75Å; E602-R605 PolarHBondContact OE1-NH1 2.85Å; E602-R605 IonicContact OE1-NH2 2.88Å; E602-R605 PolarHBondContact OE1-NH2 3.08Å; E602-R605 VanDerWaalsContact OE1-NH2 3.16Å; Y603-R605 VanDerWaalsContact C-N 3.34Å; Y603-R605 PolarHBondContact O-N 2.97Å; R605-L608 PolarHBondContact O-N 3.41Å; R605-N609 WeakPolarHBondContact O-CB 3.32Å; R605-N609 VanDerWaalsContact O-CG 3.27Å; R605-N609 PolarHBondContact O-N 3.19Å; R605-N609 PolarHBondContact O-ND2 3.15Å
606	E	63.8	Low	65.1	Low	126 Å²	126	99.5 Å²	99.5	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-64.8	-40.3	175.3	-66.1	-161.8	133	0	0	112.3	E602 Y603 N609 T610	E602-E606 PolarHBondContact O-N 3.03Å; Y603-E606 PolarHBondContact O-N 3.47Å; E606-N609 PolarHBondContact O-N 3.08Å; E606-T610 WeakPolarHBondContact O-CB 3.35Å; E606-T610 WeakPolarHBondContact O-CG2 3.5Å; E606-T610 PolarHBondContact O-N 3.46Å; E606-T610 PolarHBondContact O-OG1 3.3Å
607	N	58.3	Low	64.7	Low	78 Å²	78	98.2 Å²	98.2	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-36.4	175.6	-77.6	-75.8	0	0	0	112.7	Y603 T610 F611	Y603-N607 WeakPolarHBondContact CE1-ND2 3.25Å; Y603-N607 PolarHBondContact O-N 3.36Å; Y603-N607 VanDerWaalsContact O-N 3.13Å; Y603-N607 PolarHBondContact O-ND2 3.22Å; N607-T610 WeakPolarHBondContact CA-OG1 3.12Å; N607-T610 PolarHBondContact O-OG1 3.03Å; N607-T610 VanDerWaalsContact O-OG1 3.12Å; N607-F611 WeakPolarHBondContact O-CB 3.34Å; N607-F611 PolarHBondContact O-N 3.28Å; N607-F611 VanDerWaalsContact O-N 3.17Å
608	L	60.5	Low	64.4	Low	117 Å²	117	101.2 Å²	101.2	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-69.2	-45.1	173	-73.9	168.3	0	0	0	112.4	E604 R605 T610 F611 E612	E604-L608 WeakPolarHBondContact O-CG 3.3Å; E604-L608 PolarHBondContact O-N 2.94Å; R605-L608 PolarHBondContact O-N 3.41Å; L608-T610 VanDerWaalsContact C-N 3.35Å; L608-T610 PolarHBondContact O-N 3.33Å; L608-F611 PolarHBondContact O-N 2.78Å; L608-E612 PolarHBondContact O-N 2.71Å
609	N	59.3	Low	63.9	Low	105 Å²	105	105 Å²	105	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-61.8	-40.5	178.9	-77.7	-25.8	0	0	0	112.3	R605 E606 A613	R605-N609 WeakPolarHBondContact O-CB 3.32Å; R605-N609 VanDerWaalsContact O-CG 3.27Å; R605-N609 PolarHBondContact O-N 3.19Å; R605-N609 PolarHBondContact O-ND2 3.15Å; E606-N609 PolarHBondContact O-N 3.08Å; N609-A613 VanDerWaalsContact O-CB 3.28Å; N609-A613 WeakPolarHBondContact O-CB 3.45Å; N609-A613 PolarHBondContact O-N 3.36Å
610	T	64.3	Low	63.4	Low	91 Å²	91	105.2 Å²	105.2	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-70.1	-35.4	176.8	48.1	0	0	0	0	112.4	E606 N607 L608 S614	E606-T610 WeakPolarHBondContact O-CB 3.35Å; E606-T610 WeakPolarHBondContact O-CG2 3.5Å; E606-T610 PolarHBondContact O-N 3.46Å; E606-T610 PolarHBondContact O-OG1 3.3Å; N607-T610 WeakPolarHBondContact CA-OG1 3.12Å; N607-T610 PolarHBondContact O-OG1 3.03Å; N607-T610 VanDerWaalsContact O-OG1 3.12Å; L608-T610 VanDerWaalsContact C-N 3.35Å; L608-T610 PolarHBondContact O-N 3.33Å; T610-S614 WeakPolarHBondContact O-CB 3.25Å; T610-S614 PolarHBondContact O-N 3.19Å; T610-S614 VanDerWaalsContact O-N 3.1Å
611	F	51.7	Low	62.6	Low	143 Å²	143	107 Å²	107	63%	0.627	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-47.7	171.6	-173	-98.1	0	0	0	112	N607 L608 A613 S614 I615	N607-F611 WeakPolarHBondContact O-CB 3.34Å; N607-F611 PolarHBondContact O-N 3.28Å; N607-F611 VanDerWaalsContact O-N 3.17Å; L608-F611 PolarHBondContact O-N 2.78Å; F611-A613 PolarHBondContact O-N 3.32Å; F611-S614 WeakPolarHBondContact O-CB 3.12Å; F611-S614 PolarHBondContact O-N 2.87Å; F611-S614 VanDerWaalsContact O-N 3.14Å; F611-I615 HydrophobicContact CD1-CG1 4.24Å; F611-I615 HydrophobicContact CE1-CD1 4.33Å; F611-I615 HydrophobicContact CE1-CG1 3.97Å; F611-I615 HydrophobicContact CZ-CD1 4.3Å; F611-I615 HydrophobicContact CZ-CG1 4.38Å; F611-I615 WeakPolarHBondContact O-CG1 3.32Å; F611-I615 PolarHBondContact O-N 3.41Å
612	E	56.6	Low	61.8	Low	101 Å²	101	106.2 Å²	106.2	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-38.1	179.5	-156.6	-162.3	143.7	0	0	112	L608 S614 I615 K616	L608-E612 PolarHBondContact O-N 2.71Å; E612-S614 VanDerWaalsContact C-N 3.32Å; E612-S614 PolarHBondContact O-N 2.92Å; E612-I615 PolarHBondContact O-N 2.88Å; E612-K616 PolarHBondContact O-N 3.11Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.31Å
613	A	61.7	Low	60.7	Low	58 Å²	58	104.5 Å²	104.5	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-60.6	-40.2	172.1	0	0	0	0	0	112.2	N609 F611 K616 A617	N609-A613 VanDerWaalsContact O-CB 3.28Å; N609-A613 WeakPolarHBondContact O-CB 3.45Å; N609-A613 PolarHBondContact O-N 3.36Å; F611-A613 PolarHBondContact O-N 3.32Å; A613-K616 PolarHBondContact O-N 3.37Å; A613-A617 WeakPolarHBondContact O-CB 3.42Å; A613-A617 PolarHBondContact O-N 2.69Å
614	S	63.3	Low	59.6	Low	55 Å²	55	104.8 Å²	104.8	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-64.8	-37.4	175	-170	0	0	0	0	112.5	T610 F611 E612 K618	T610-S614 WeakPolarHBondContact O-CB 3.25Å; T610-S614 PolarHBondContact O-N 3.19Å; T610-S614 VanDerWaalsContact O-N 3.1Å; F611-S614 WeakPolarHBondContact O-CB 3.12Å; F611-S614 PolarHBondContact O-N 2.87Å; F611-S614 VanDerWaalsContact O-N 3.14Å; E612-S614 VanDerWaalsContact C-N 3.32Å; E612-S614 PolarHBondContact O-N 2.92Å; S614-K618 WeakPolarHBondContact O-CG 3.19Å; S614-K618 PolarHBondContact O-N 3.09Å
615	I	68.1	Low	58.6	Low	85 Å²	85	108 Å²	108	44%	0.436	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-46.7	173.1	-64.6	-65.5	0	0	0	111.2	F611 E612 A617 K618 H619	F611-I615 HydrophobicContact CD1-CG1 4.24Å; F611-I615 HydrophobicContact CE1-CD1 4.33Å; F611-I615 HydrophobicContact CE1-CG1 3.97Å; F611-I615 HydrophobicContact CZ-CD1 4.3Å; F611-I615 HydrophobicContact CZ-CG1 4.38Å; F611-I615 WeakPolarHBondContact O-CG1 3.32Å; F611-I615 PolarHBondContact O-N 3.41Å; E612-I615 PolarHBondContact O-N 2.88Å; I615-A617 PolarHBondContact O-N 2.88Å; I615-K618 PolarHBondContact O-N 3.34Å; I615-H619 PolarHBondContact O-N 3.14Å
616	K	67.3	Low	57.8	Low	124 Å²	124	110.7 Å²	110.7	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-60.1	-41.3	175.9	-97.1	166.9	177.8	139.8	0	112.6	E612 A613 K618 H619 N620	E612-K616 PolarHBondContact O-N 3.11Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.31Å; A613-K616 PolarHBondContact O-N 3.37Å; K616-K618 PolarHBondContact O-N 3.5Å; K616-H619 PolarHBondContact O-N 3.09Å; K616-N620 PolarHBondContact O-N 3.12Å
617	A	63.5	Low	56.5	Low	55 Å²	55	112.5 Å²	112.5	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-60.7	-44.3	175.8	0	0	0	0	0	112.1	A613 I615 N620 L621	A613-A617 WeakPolarHBondContact O-CB 3.42Å; A613-A617 PolarHBondContact O-N 2.69Å; I615-A617 PolarHBondContact O-N 2.88Å; A617-N620 PolarHBondContact O-N 2.91Å; A617-L621 PolarHBondContact O-N 3.44Å
618	K	64.4	Low	55.2	Low	124 Å²	124	113.8 Å²	113.8	54%	0.539	61%	0.606	S	S	.	*	H	α-helix	trans	-64.9	-39.7	175	-72.5	172.2	-178.7	174.4	0	112.5	S614 I615 K616 N620 L621 I622	S614-K618 WeakPolarHBondContact O-CG 3.19Å; S614-K618 PolarHBondContact O-N 3.09Å; I615-K618 PolarHBondContact O-N 3.34Å; K616-K618 PolarHBondContact O-N 3.5Å; K618-N620 PolarHBondContact O-N 3.31Å; K618-L621 PolarHBondContact O-N 3.06Å; K618-I622 WeakPolarHBondContact O-CG1 3.25Å; K618-I622 PolarHBondContact O-N 2.95Å
619	H	58.9	Low	53.9	Low	129 Å²	129	112.9 Å²	112.9	60%	0.597	62%	0.616	S	S	*	*	H	α-helix	trans	-64.3	-39.4	178	-166.5	-83.2	0	0	0	112.3	I615 K616 I622 A623	I615-H619 PolarHBondContact O-N 3.14Å; K616-H619 PolarHBondContact O-N 3.09Å; H619-I622 PolarHBondContact O-N 2.96Å; H619-A623 PolarHBondContact O-N 2.96Å
620	N	61.4	Low	52.6	Low	108 Å²	108	115 Å²	115	58%	0.578	63%	0.627	S	S	*	*	H	α-helix	trans	-68.4	-33.7	176	-75.4	-5.7	0	0	0	113.1	K616 A617 K618 A623	K616-N620 PolarHBondContact O-N 3.12Å; A617-N620 PolarHBondContact O-N 2.91Å; K618-N620 PolarHBondContact O-N 3.31Å; N620-A623 PolarHBondContact O-N 3.06Å
621	L	56.2	Low	52	Low	118 Å²	118	115.4 Å²	115.4	62%	0.618	63%	0.631	S	S	*	*	H	α-helix	trans	-64.6	-45	171.4	-88.5	154.8	0	0	0	111.8	A617 K618 A623 Q624	A617-L621 PolarHBondContact O-N 3.44Å; K618-L621 PolarHBondContact O-N 3.06Å; L621-A623 PolarHBondContact O-N 2.96Å; L621-Q624 PolarHBondContact O-N 2.92Å; L621-Q624 VanDerWaalsContact O-N 3.15Å
622	I	53.1	Low	51	Low	121 Å²	121	117.8 Å²	117.8	62%	0.621	64%	0.641	S	S	*	*	H	α-helix	trans	-65	-28.5	177.7	-67.4	164.7	0	0	0	111.8	K618 H619 Q624	K618-I622 WeakPolarHBondContact O-CG1 3.25Å; K618-I622 PolarHBondContact O-N 2.95Å; H619-I622 PolarHBondContact O-N 2.96Å; I622-Q624 VanDerWaalsContact C-N 3.33Å; I622-Q624 PolarHBondContact O-N 2.75Å
623	A	46.6	Very low	50.1	Low	63 Å²	63	122.7 Å²	122.7	52%	0.521	66%	0.661	S	S	.	*	H	α-helix	trans	-70.4	-23.9	175.6	0	0	0	0	0	113.8	H619 N620 L621	H619-A623 PolarHBondContact O-N 2.96Å; N620-A623 PolarHBondContact O-N 3.06Å; L621-A623 PolarHBondContact O-N 2.96Å
624	Q	45.5	Very low	48.8	Very low	164 Å²	164	126 Å²	126	77%	0.766	68%	0.677	S	S	*	*	H	α-helix	trans	-84.4	-18	-177.2	-74.5	-171.9	-24.5	0	0	114.7	L621 I622 K626	L621-Q624 PolarHBondContact O-N 2.92Å; L621-Q624 VanDerWaalsContact O-N 3.15Å; I622-Q624 VanDerWaalsContact C-N 3.33Å; I622-Q624 PolarHBondContact O-N 2.75Å; Q624-K626 VanDerWaalsContact C-N 3.26Å; Q624-K626 PolarHBondContact O-N 2.91Å
625	E	44.4	Very low	47.2	Very low	180 Å²	180	128.7 Å²	128.7	84%	0.841	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	10.2	179.8	-68	-163.2	127.6	0	0	114.4
626	K	44	Very low	46	Very low	180 Å²	180	129.2 Å²	129.2	78%	0.783	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-1.8	-167.3	-125.1	176.7	-176.7	178.5	0	117.4	Q624	Q624-K626 VanDerWaalsContact C-N 3.26Å; Q624-K626 PolarHBondContact O-N 2.91Å
627	D	36.7	Very low	44.7	Very low	164 Å²	164	129 Å²	129	88%	0.877	72%	0.724	S	S	*	*	S	Bend	trans	-126.1	67.7	-178.2	-82.2	-53	0	0	0	114.1
628	A	32	Very low	43.4	Very low	105 Å²	105	133.5 Å²	133.5	87%	0.868	74%	0.741	S	S	*	*			trans	-167.6	144	151.5	0	0	0	0	0	111.5
629	A	32.6	Very low	42	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	76%	0.755	S	S	*	*			trans	-107.7	135.3	-177.2	0	0	0	0	0	114.2
630	N	32.5	Very low	41	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	77%	0.766	S	S	*	*				22.4	145.2	126	-130.5	14.8	0	0	0	117.9
631	P	51	Low	39.8	Very low	98 Å²	98	140 Å²	140	64%	0.636	78%	0.779	S	S	*	*			cis	-158.3	171.4	38.4	43.3	-20.4	0	0	0	122.1
632	K	31.9	Very low	39.1	Very low	194 Å²	194	143.5 Å²	143.5	84%	0.843	79%	0.792	S	S	*	*			trans	108.2	124.4	149.9	-62	-178.1	-176.9	175.3	0	118.7
633	K	38	Very low	38.2	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	80%	0.803	S	S	*	*			trans	-91.3	165	167.8	-55.2	179.3	178.6	-178.7	0	111
634	P	34.5	Very low	37.9	Very low	127 Å²	127	148.8 Å²	148.8	83%	0.825	82%	0.823	S	S	*	*			trans	-111.2	177.6	133.5	34.7	-31.6	0	0	0	112.6
635	S	28.2	Very low	37.7	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90.8	161.2	-165.5	51.4	0	0	0	0	115.6
636	A	43.3	Very low	37.6	Very low	95 Å²	95	146.8 Å²	146.8	79%	0.785	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82	140.3	170.9	0	0	0	0	0	112.7
637	P	39.5	Very low	37.3	Very low	119 Å²	119	148 Å²	148	77%	0.773	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-87.6	122.7	150.6	33.5	-26.6	0	0	0	108.7
638	D	36.8	Very low	37.6	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	81%	0.813	S	S	*	*				86.9	133	78.2	-164.5	13.8	0	0	0	111.9
639	M	35.4	Very low	37.9	Very low	170 Å²	170	143 Å²	143	84%	0.837	81%	0.806	S	S	*	*	S	Bend	trans	-119.7	19.7	-148.5	-148.7	-166.9	-54.6	0	0	114.3
640	F	36.7	Very low	38.6	Very low	188 Å²	188	146.8 Å²	146.8	83%	0.825	81%	0.807	S	S	*	*			trans	-133.2	69	-173.4	-84	-79.6	0	0	0	114.4
641	T	36.5	Very low	39.1	Very low	140 Å²	140	147.2 Å²	147.2	86%	0.859	80%	0.802	S	S	*	*			trans	-139.2	108.5	154.2	52.9	0	0	0	0	110.4
642	E	41.1	Very low	38.4	Very low	190 Å²	190	148.1 Å²	148.1	89%	0.888	80%	0.802	S	S	*	*			trans	-77.9	128.6	177.1	-59.7	170.1	130.8	0	0	111.4
643	S	34.8	Very low	39.5	Very low	122 Å²	122	141.9 Å²	141.9	85%	0.853	78%	0.783	S	S	*	*			trans	-174.1	136.1	150.7	-78	0	0	0	0	109.5
644	D	41.2	Very low	39.9	Very low	173 Å²	173	135.3 Å²	135.3	93%	0.925	77%	0.766	S	S	*	*			trans	-67.4	129.3	-170	-52.3	-74.7	0	0	0	115.1
645	D	40.5	Very low	40.5	Very low	119 Å²	119	138.9 Å²	138.9	64%	0.636	76%	0.763	S	S	*	*				-172.9	111.6	121.2	-168.7	-17	0	0	0	109.9	F647	D645-F647 PolarHBondContact OD1-N 2.91Å; D645-F647 VanDerWaalsContact OD1-N 3.08Å
646	M	42.2	Very low	41.6	Very low	183 Å²	183	138.7 Å²	138.7	90%	0.901	75%	0.751	S	S	*	*	S	Bend	trans	-105.8	4.5	-179	-74.9	-139.6	-64.4	0	0	115.3
647	F	38.8	Very low	41.9	Very low	205 Å²	205	143.7 Å²	143.7	90%	0.899	75%	0.749	S	S	*	*	S	Bend	trans	-105.8	-3.7	179.1	-84.3	-82.7	0	0	0	114.6	D645	D645-F647 PolarHBondContact OD1-N 2.91Å; D645-F647 VanDerWaalsContact OD1-N 3.08Å
648	A	42	Very low	42.2	Very low	76 Å²	76	142.4 Å²	142.4	63%	0.628	75%	0.749	S	S	*	*	S	Bend	trans	-86.3	-11.4	-174.9	0	0	0	0	0	116.3	H650	A648-H650 PolarHBondContact O-N 2.9Å
649	A	39.3	Very low	42.6	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	74%	0.738	S	S	*	*	S	Bend	trans	-83.5	-4.3	-159.7	0	0	0	0	0	117.2
650	H	46.3	Very low	42.7	Very low	179 Å²	179	133.6 Å²	133.6	83%	0.829	73%	0.73	S	S	*	*	S	Bend	trans	-134.6	71.2	-174.1	-79.5	-10.8	0	0	0	113.9	A648	A648-H650 PolarHBondContact O-N 2.9Å
651	F	42.3	Very low	43.3	Very low	159 Å²	159	130 Å²	130	70%	0.697	72%	0.724	S	S	*	*				-171.6	79.1	129	-123.1	-92.4	0	0	0	111.9	S653 M656	F651-S653 VanDerWaalsContact C-N 3.27Å; F651-S653 PolarHBondContact O-N 3.23Å; F651-M656 HydrophobicContact CE1-CE 4.11Å; F651-M656 HydrophobicContact CZ-CE 4.28Å
652	D	37.4	Very low	43.9	Very low	117 Å²	117	126.6 Å²	126.6	63%	0.626	72%	0.717	S	S	*	*			trans	-73.9	80.9	176.4	-171.1	-0.5	0	0	0	111.6	A654 R655	D652-A654 PolarHBondContact O-N 2.83Å; D652-A654 VanDerWaalsContact O-N 3.15Å; D652-A654 PolarHBondContact OD1-N 3.46Å; D652-R655 WeakPolarHBondContact O-CB 3.37Å; D652-R655 PolarHBondContact O-N 3.36Å
653	S	55.7	Low	44	Very low	63 Å²	63	126.2 Å²	126.2	44%	0.441	71%	0.712	S	S	.	*	H	α-helix	trans	-74.5	4.4	-174.1	56.1	0	0	0	0	114.6	F651 R657	F651-S653 VanDerWaalsContact C-N 3.27Å; F651-S653 PolarHBondContact O-N 3.23Å; S653-R657 PolarHBondContact O-NE 3.01Å
654	A	46.2	Very low	44.5	Very low	64 Å²	64	127.5 Å²	127.5	53%	0.529	71%	0.709	S	S	.	*	H	α-helix	trans	-74	-41.8	160.3	0	0	0	0	0	110.9	D652 M656 R657 A658	D652-A654 PolarHBondContact O-N 2.83Å; D652-A654 VanDerWaalsContact O-N 3.15Å; D652-A654 PolarHBondContact OD1-N 3.46Å; A654-M656 PolarHBondContact O-N 2.98Å; A654-R657 PolarHBondContact O-N 3.45Å; A654-A658 PolarHBondContact O-N 3.05Å; A654-A658 VanDerWaalsContact O-N 3.12Å
655	R	47.3	Very low	44.6	Very low	203 Å²	203	128.5 Å²	128.5	77%	0.766	71%	0.706	S	S	*	*	H	α-helix	trans	-67.3	-38.8	-176.3	-160.4	176.8	-172.2	-158.4	1	112.8	D652 R657 A658 A659	D652-R655 WeakPolarHBondContact O-CB 3.37Å; D652-R655 PolarHBondContact O-N 3.36Å; R655-R657 PolarHBondContact O-N 3.29Å; R655-A658 PolarHBondContact O-N 3.37Å; R655-A659 PolarHBondContact O-N 3.28Å
656	M	49.7	Very low	45	Very low	109 Å²	109	132.1 Å²	132.1	54%	0.537	72%	0.716	S	S	.	*	H	α-helix	trans	-59.9	-42.1	173.4	-74.6	-67.7	-143.6	0	0	112.4	F651 A654 A659	F651-M656 HydrophobicContact CE1-CE 4.11Å; F651-M656 HydrophobicContact CZ-CE 4.28Å; A654-M656 PolarHBondContact O-N 2.98Å; M656-A659 PolarHBondContact O-N 3.45Å
657	R	49.9	Very low	45.2	Very low	200 Å²	200	131.7 Å²	131.7	76%	0.755	71%	0.712	S	S	*	*	H	α-helix	trans	-69.4	-34.4	178.2	-97.4	179	-72.3	-170.9	-5.4	112.9	S653 A654 R655 A659 G660	S653-R657 PolarHBondContact O-NE 3.01Å; A654-R657 PolarHBondContact O-N 3.45Å; R655-R657 PolarHBondContact O-N 3.29Å; R657-A659 PolarHBondContact O-N 3.49Å; R657-G660 PolarHBondContact O-N 3.06Å
658	A	45.2	Very low	45.4	Very low	92 Å²	92	127.3 Å²	127.3	76%	0.76	70%	0.697	S	S	*	*	H	α-helix	trans	-66.8	-21.5	172.9	0	0	0	0	0	113.2	A654 R655	A654-A658 PolarHBondContact O-N 3.05Å; A654-A658 VanDerWaalsContact O-N 3.12Å; R655-A658 PolarHBondContact O-N 3.37Å
659	A	45.8	Very low	45.9	Very low	70 Å²	70	127.9 Å²	127.9	58%	0.579	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	1.8	179.5	0	0	0	0	0	114.7	R655 M656 R657 V661	R655-A659 PolarHBondContact O-N 3.28Å; M656-A659 PolarHBondContact O-N 3.45Å; R657-A659 PolarHBondContact O-N 3.49Å; A659-V661 PolarHBondContact O-N 3.44Å; A659-V661 VanDerWaalsContact O-N 3.13Å
660	G	38.7	Very low	46.4	Very low	66 Å²	66	130.7 Å²	130.7	68%	0.68	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.5	-3.4	172.3	0	0	0	0	0	116.8	R657 G662	R657-G660 PolarHBondContact O-N 3.06Å; G660-G662 PolarHBondContact O-N 2.98Å
661	V	48.4	Very low	46.8	Very low	112 Å²	112	127.2 Å²	127.2	68%	0.679	68%	0.684	S	S	*	*			trans	-74.4	84.9	178.3	-173.1	0	0	0	0	109.9	A659	A659-V661 PolarHBondContact O-N 3.44Å; A659-V661 VanDerWaalsContact O-N 3.13Å
662	G	49.4	Very low	47.2	Very low	69 Å²	69	129 Å²	129	71%	0.711	69%	0.686	S	S	*	*			trans	-168	18.1	-171.8	0	0	0	0	0	117.2	G660	G660-G662 PolarHBondContact O-N 2.98Å
663	K	43.7	Very low	48	Very low	182 Å²	182	130.1 Å²	130.1	79%	0.791	69%	0.693	S	S	*	*	S	Bend	trans	-135.6	148.1	168.1	-73.6	-170	175.4	-176.7	0	110.8
664	D	45	Very low	48.6	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	70%	0.699	S	S	*	*			trans	63.2	43.8	162.2	-47.6	-26.7	0	0	0	117.7	K666	D664-K666 PolarHBondContact O-N 3.21Å
665	F	42.9	Very low	49.9	Very low	194 Å²	194	133 Å²	133	85%	0.851	69%	0.688	S	S	*	*			trans	-70.7	102.6	153.3	-99.9	-84.2	0	0	0	109.9
666	K	48	Very low	51.5	Low	194 Å²	194	125 Å²	125	84%	0.843	66%	0.662	S	S	*	*			trans	-70.7	129.1	159.6	-69.7	-178.9	178.8	177.5	0	108.3	D664 N668	D664-K666 PolarHBondContact O-N 3.21Å; K666-N668 PolarHBondContact O-N 2.79Å
667	E	47.2	Very low	53.1	Low	175 Å²	175	122.3 Å²	122.3	82%	0.818	65%	0.65	S	S	*	*			trans	-67.1	115.5	179.7	-63.4	-173.1	150.2	0	0	110.7
668	N	43.8	Very low	54.6	Low	112 Å²	112	118.5 Å²	118.5	60%	0.599	66%	0.661	S	S	*	*			trans	-70	126.5	171.8	-92.8	-16.1	0	0	0	109.7	K666 N670 L671	K666-N668 PolarHBondContact O-N 2.79Å; N668-N670 PolarHBondContact O-N 3.38Å; N668-L671 HydrophobicContact CB-CD1 4.24Å; N668-L671 HydrophobicContact CB-CG 4.47Å; N668-L671 PolarHBondContact O-N 3.4Å; N668-L671 VanDerWaalsContact O-N 3.13Å
669	P	51.8	Low	56.3	Low	89 Å²	89	120 Å²	120	58%	0.578	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-62.5	-27.2	-178.3	23.8	-32.8	0	0	0	112.9	L671 R672	P669-L671 PolarHBondContact O-N 2.83Å; P669-R672 WeakPolarHBondContact O-CG 3.37Å; P669-R672 PolarHBondContact O-N 2.85Å
670	N	50.6	Low	58.1	Low	146 Å²	146	117 Å²	117	78%	0.781	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-76.8	5	179.6	-57.9	20.1	0	0	0	113.8	N668	N668-N670 PolarHBondContact O-N 3.38Å
671	L	53.8	Low	60.5	Low	106 Å²	106	115 Å²	115	56%	0.555	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-105.4	21.2	173.3	-75.7	172.8	0	0	0	112.9	N668 P669 D673 W675	N668-L671 HydrophobicContact CB-CD1 4.24Å; N668-L671 HydrophobicContact CB-CG 4.47Å; N668-L671 PolarHBondContact O-N 3.4Å; N668-L671 VanDerWaalsContact O-N 3.13Å; P669-L671 PolarHBondContact O-N 2.83Å; L671-D673 VanDerWaalsContact C-N 3.29Å; L671-D673 PolarHBondContact O-N 3.11Å; L671-W675 PolarHBondContact O-NE1 3.16Å; L671-W675 VanDerWaalsContact O-NE1 3.09Å
672	R	50.5	Low	62.4	Low	196 Å²	196	109.9 Å²	109.9	74%	0.74	57%	0.569	S	S	*	*	S	Bend	trans	-71.8	-18.1	178	-80.9	-179.9	166.9	-152.8	-4.4	114.6	P669	P669-R672 WeakPolarHBondContact O-CG 3.37Å; P669-R672 PolarHBondContact O-N 2.85Å
673	D	55	Low	64.3	Low	142 Å²	142	111 Å²	111	76%	0.759	55%	0.552	S	S	*	*	S	Bend	trans	-97.8	-11.2	-167.3	-52.2	-33.6	0	0	0	114.1	L671	L671-D673 VanDerWaalsContact C-N 3.29Å; L671-D673 PolarHBondContact O-N 3.11Å
674	N	66.8	Low	66.4	Low	106 Å²	106	102.8 Å²	102.8	57%	0.567	52%	0.516	S	S	*	.	S	Bend	trans	-99.3	6.2	-174.3	-162.4	42.8	0	0	0	114.7	T676 R683	N674-T676 VanDerWaalsContact C-N 3.32Å; N674-R683 PolarHBondContact O-NH1 2.77Å; N674-R683 PolarHBondContact OD1-NH1 2.65Å
675	W	73.3	Confident	68.6	Low	80 Å²	80	99.9 Å²	99.9	30%	0.303	50%	0.501	S	S	.	.	S	Bend	trans	-76.1	-20.9	176.6	-67.4	109.1	0	0	0	113.8	L671 Y682 R683 K767	L671-W675 PolarHBondContact O-NE1 3.16Å; L671-W675 VanDerWaalsContact O-NE1 3.09Å; W675-Y682 HydrophobicContact CB-CE2 4.12Å; W675-Y682 HydrophobicContact CE3-CE2 4.33Å; W675-Y682 WeakPolarHBondContact O-CD2 3.48Å; W675-R683 PolarHBondContact O-N 3.3Å; W675-K767 HydrophobicContact CB-CD 4.23Å; W675-K767 HydrophobicContact CD2-CD 3.79Å; W675-K767 HydrophobicContact CE3-CD 4.05Å; W675-K767 HydrophobicContact CG-CD 3.85Å; W675-K767 VanDerWaalsContact CH2-NZ 3.32Å
676	T	82.3	Confident	70.9	Confident	37 Å²	37	96.1 Å²	96.1	23%	0.227	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-115.9	134.1	-174	-43.3	0	0	0	0	108.7	N674 Y681 N728	N674-T676 VanDerWaalsContact C-N 3.32Å; T676-Y681 CarbonylContact C-O 3.07Å; T676-Y681 VanDerWaalsContact CA-O 3.25Å; T676-Y681 WeakPolarHBondContact CA-O 3.43Å; T676-Y681 WeakPolarHBondContact CG2-O 3.48Å; T676-N728 HydrophobicContact CG2-CB 4.27Å
677	D	83.6	Confident	72.8	Confident	52 Å²	52	89.8 Å²	89.8	28%	0.278	48%	0.478	S	S	.	.			trans	-69.8	161.2	169.2	-72.2	-64.6	0	0	0	111.5	E679 G680 Y681 R683	D677-E679 PolarHBondContact O-N 3.21Å; D677-G680 WeakPolarHBondContact O-CA 3.45Å; D677-G680 PolarHBondContact O-N 2.81Å; D677-Y681 PolarHBondContact N-O 3.4Å; D677-R683 IonicContact OD1-CZ 2.68Å; D677-R683 IonicContact OD1-NE 3.41Å; D677-R683 PolarHBondContact OD1-NE 3.34Å; D677-R683 IonicContact OD1-NH2 3.84Å; D677-R683 PolarHBondContact OD1-NH2 2.99Å; D677-R683 WeakPolarHBondContact OD2-CG 3.24Å; D677-R683 IonicContact OD2-NE 2.75Å
678	A	80.4	Confident	75	Confident	119 Å²	119	82.8 Å²	82.8	98%	0.983	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.1	177	0	0	0	0	0	113.7	G680	A678-G680 VanDerWaalsContact C-N 3.34Å
679	E	80.3	Confident	77.3	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	8	172.8	-44.7	-174.5	-174	0	0	114.8	D677 Y681 R727	D677-E679 PolarHBondContact O-N 3.21Å; E679-Y681 HydrophobicContact CB-CD2 4.31Å; E679-Y681 WeakPolarHBondContact OE2-CE2 3.42Å; E679-R727 PolarHBondContact O-NH1 3.21Å; E679-R727 IonicContact OE2-CZ 3.77Å; E679-R727 IonicContact OE2-NH1 2.68Å; E679-R727 PolarHBondContact OE2-NH1 3.23Å; E679-R727 IonicContact OE2-NH2 3.66Å; E679-R727 PolarHBondContact OE2-NH2 2.87Å; E679-R727 VanDerWaalsContact OE2-NH2 3.09Å
680	G	84.8	Confident	79.2	Confident	7 Å²	7	76.2 Å²	76.2	7%	0.072	41%	0.408	C	S	.	.	S	Bend	trans	79.7	14.2	-178.2	0	0	0	0	0	115.6	D677 A678 R727 N728 H769	D677-G680 WeakPolarHBondContact O-CA 3.45Å; D677-G680 PolarHBondContact O-N 2.81Å; A678-G680 VanDerWaalsContact C-N 3.34Å; G680-R727 CarbonylContact O-C 3.42Å; G680-R727 WeakPolarHBondContact O-CA 3.43Å; G680-R727 WeakPolarHBondContact O-CB 3.42Å; G680-N728 PolarHBondContact O-N 3.16Å; G680-H769 PolarHBondContact O-CE1 3.35Å
681	Y	87.8	Confident	81.2	Confident	26 Å²	26	72 Å²	72	10%	0.102	39%	0.385	C	S	.	.			trans	-75.4	147.7	171.9	-78	-70	0	0	0	111.7	T676 D677 E679 Q702 G703 N707 R727	T676-Y681 CarbonylContact C-O 3.07Å; T676-Y681 VanDerWaalsContact CA-O 3.25Å; T676-Y681 WeakPolarHBondContact CA-O 3.43Å; T676-Y681 WeakPolarHBondContact CG2-O 3.48Å; D677-Y681 PolarHBondContact N-O 3.4Å; E679-Y681 HydrophobicContact CB-CD2 4.31Å; E679-Y681 WeakPolarHBondContact OE2-CE2 3.42Å; Y681-Q702 HydrophobicContact CE1-CG 3.86Å; Y681-Q702 VanDerWaalsContact CZ-NE2 3.31Å; Y681-G703 WeakPolarHBondContact CE1-O 3.45Å; Y681-G703 PolarHBondContact OH-O 2.87Å; Y681-N707 VanDerWaalsContact CD1-OD1 3.25Å; Y681-N707 WeakPolarHBondContact CD1-OD1 3.08Å; Y681-N707 WeakPolarHBondContact CE1-OD1 3.47Å; Y681-R727 HydrophobicContact CD1-CG 4Å; Y681-R727 HydrophobicContact CE1-CG 4.29Å; Y681-R727 VanDerWaalsContact CE2-NH2 3.26Å; Y681-R727 HydrophobicContact CG-CG 4.45Å; Y681-R727 PolarHBondContact OH-NH2 3.45Å
682	Y	89.9	Confident	83	Confident	3 Å²	3	76.5 Å²	76.5	1%	0.012	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-86.2	126.7	170.1	-176	-116.6	0	0	0	111.6	W675 V684 E688 L690 N707 I725 H766 K767 H769	W675-Y682 HydrophobicContact CB-CE2 4.12Å; W675-Y682 HydrophobicContact CE3-CE2 4.33Å; W675-Y682 WeakPolarHBondContact O-CD2 3.48Å; Y682-V684 HydrophobicContact CD1-CB 4.38Å; Y682-V684 HydrophobicContact CD1-CG2 3.47Å; Y682-V684 VanDerWaalsContact CD1-CG2 3.47Å; Y682-V684 HydrophobicContact CE1-CB 4.31Å; Y682-V684 HydrophobicContact CE1-CG2 3.79Å; Y682-V684 PolarHBondContact O-N 2.96Å; Y682-E688 PolarHBondContact OH-OE1 3.28Å; Y682-E688 PolarHBondContact OH-OE2 3.45Å; Y682-L690 HydrophobicContact CE1-CD2 4.43Å; Y682-N707 PolarHBondContact O-ND2 3.39Å; Y682-I725 HydrophobicContact CD1-CD1 3.78Å; Y682-I725 HydrophobicContact CD1-CG2 4.25Å; Y682-I725 HydrophobicContact CE1-CD1 4.43Å; Y682-I725 HydrophobicContact CG-CG2 4.21Å; Y682-H766 AromaticContact CZ-CD2 3.81Å; Y682-H766 AromaticContact CZ-NE2 3.91Å; Y682-H766 PolarHBondContact OH-NE2 3.15Å; Y682-K767 HydrophobicContact CE2-CB 4.25Å; Y682-K767 HydrophobicContact CE2-CD 3.53Å; Y682-K767 HydrophobicContact CE2-CG 4.49Å; Y682-K767 WeakPolarHBondContact OH-CD 3.36Å; Y682-K767 PolarHBondContact OH-NZ 3.04Å; Y682-H769 WeakPolarHBondContact CB-NE2 3.48Å; Y682-H769 AromaticContact CD2-CD2 3.61Å; Y682-H769 AromaticContact CD2-NE2 3.64Å; Y682-H769 AromaticContact CG-CD2 3.88Å; Y682-H769 AromaticContact CG-NE2 3.97Å; Y682-H769 PolarHBondContact N-CE1 2.78Å
683	R	88.3	Confident	85.1	Confident	94 Å²	94	69 Å²	69	36%	0.355	37%	0.372	S	S	.	.			trans	-80.7	91.8	173.2	-65.8	-178.6	-179	154.7	-2.3	110.9	N674 W675 D677	N674-R683 PolarHBondContact O-NH1 2.77Å; N674-R683 PolarHBondContact OD1-NH1 2.65Å; W675-R683 PolarHBondContact O-N 3.3Å; D677-R683 IonicContact OD1-CZ 2.68Å; D677-R683 IonicContact OD1-NE 3.41Å; D677-R683 PolarHBondContact OD1-NE 3.34Å; D677-R683 IonicContact OD1-NH2 3.84Å; D677-R683 PolarHBondContact OD1-NH2 2.99Å; D677-R683 WeakPolarHBondContact OD2-CG 3.24Å; D677-R683 IonicContact OD2-NE 2.75Å
684	V	88.8	Confident	87	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.048	34%	0.336	C	S	.	.			trans	-70.7	142.4	175.1	-179.5	0	0	0	0	110.4	Y682 V696 Y699 I709 I725	Y682-V684 HydrophobicContact CD1-CB 4.38Å; Y682-V684 HydrophobicContact CD1-CG2 3.47Å; Y682-V684 VanDerWaalsContact CD1-CG2 3.47Å; Y682-V684 HydrophobicContact CE1-CB 4.31Å; Y682-V684 HydrophobicContact CE1-CG2 3.79Å; Y682-V684 PolarHBondContact O-N 2.96Å; V684-V696 HydrophobicContact CG1-CB 4.43Å; V684-V696 HydrophobicContact CG1-CG1 3.77Å; V684-V696 HydrophobicContact CG1-CG2 4.28Å; V684-Y699 HydrophobicContact CB-CE1 4.14Å; V684-Y699 PolarHBondContact O-OH 2.83Å; V684-I709 HydrophobicContact CG1-CD1 3.82Å; V684-I709 HydrophobicContact CG1-CG2 4.28Å; V684-I709 HydrophobicContact CG2-CD1 4.04Å; V684-I709 HydrophobicContact CG2-CG2 4.11Å; V684-I725 HydrophobicContact CG2-CD1 3.75Å
685	N	89.7	Confident	88.4	Confident	89 Å²	89	60.2 Å²	60.2	48%	0.476	33%	0.325	S	S	.	.			trans	-110.1	138.5	166.4	-67.4	-76.2	0	0	0	110.6	G687 E688	N685-G687 PolarHBondContact O-N 2.81Å; N685-E688 HydrophobicContact CB-CB 4.29Å; N685-E688 VanDerWaalsContact O-CB 3.25Å; N685-E688 WeakPolarHBondContact O-CB 2.79Å; N685-E688 PolarHBondContact O-N 3.39Å
686	I	91.4	Very high	89.4	Confident	115 Å²	115	56.6 Å²	56.6	59%	0.59	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	126.8	172.6	-56.9	178.2	0	0	0	107.6	Y699	I686-Y699 HydrophobicContact CD1-CD2 4.3Å; I686-Y699 HydrophobicContact CD1-CE2 4.1Å; I686-Y699 HydrophobicContact CG1-CD2 4.48Å; I686-Y699 HydrophobicContact CG1-CE2 3.97Å
687	G	89.3	Confident	90	Very high	60 Å²	60	58.6 Å²	58.6	62%	0.619	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	1.1	-167.8	0	0	0	0	0	114.8	N685 V696	N685-G687 PolarHBondContact O-N 2.81Å; G687-V696 PolarHBondContact N-O 3.15Å
688	E	92.2	Very high	90.4	Very high	28 Å²	28	56.8 Å²	56.8	13%	0.131	31%	0.309	C	S	.	.			trans	-71.8	135.6	167.3	-171.3	175.9	-171.7	0	0	110.5	Y682 N685 L690 V696 H766 K767	Y682-E688 PolarHBondContact OH-OE1 3.28Å; Y682-E688 PolarHBondContact OH-OE2 3.45Å; N685-E688 HydrophobicContact CB-CB 4.29Å; N685-E688 VanDerWaalsContact O-CB 3.25Å; N685-E688 WeakPolarHBondContact O-CB 2.79Å; N685-E688 PolarHBondContact O-N 3.39Å; E688-L690 HydrophobicContact CG-CD2 3.89Å; E688-V696 WeakPolarHBondContact O-CG2 3.18Å; E688-V696 PolarHBondContact O-N 2.98Å; E688-H766 IonicContact OE1-CE1 2.76Å; E688-H766 PolarHBondContact OE1-CE1 3.39Å; E688-H766 IonicContact OE1-NE2 3.5Å; E688-H766 PolarHBondContact OE1-NE2 2.87Å; E688-K767 IonicContact OE1-NZ 3.73Å; E688-K767 PolarHBondContact OE1-NZ 3.43Å
689	T	92.3	Very high	90.7	Very high	63 Å²	63	56.8 Å²	56.8	39%	0.387	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	102.5	172.2	-54.8	0	0	0	0	110.4	K692 R693 Y694 D695	T689-K692 VanDerWaalsContact CG2-C 3.47Å; T689-R693 VanDerWaalsContact CG2-N 3.32Å; T689-Y694 WeakPolarHBondContact CA-O 3.45Å; T689-D695 WeakPolarHBondContact CB-OD1 3.39Å; T689-D695 WeakPolarHBondContact CG2-OD1 3.46Å; T689-D695 PolarHBondContact OG1-OD1 3.15Å
690	L	92.4	Very high	90.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146.2	175.9	-48.2	177.7	0	0	0	110.9	Y682 E688 K692 R693 Y694 V696 I709 I725 F764 H766	Y682-L690 HydrophobicContact CE1-CD2 4.43Å; E688-L690 HydrophobicContact CG-CD2 3.89Å; L690-K692 PolarHBondContact O-N 3.32Å; L690-R693 PolarHBondContact O-N 3.16Å; L690-Y694 PolarHBondContact N-O 3.38Å; L690-Y694 PolarHBondContact O-N 3.18Å; L690-V696 HydrophobicContact CD1-CG2 3.94Å; L690-V696 HydrophobicContact CG-CG2 3.94Å; L690-I709 HydrophobicContact CD1-CD1 3.73Å; L690-I725 HydrophobicContact CD1-CD1 3.84Å; L690-F764 HydrophobicContact CB-CE2 3.96Å; L690-F764 HydrophobicContact CB-CZ 3.82Å; L690-F764 HydrophobicContact CD1-CZ 4.4Å; L690-H766 VanDerWaalsContact CD2-NE2 3.3Å; L690-H766 WeakPolarHBondContact CD2-NE2 3.44Å
691	D	92.9	Very high	90.5	Very high	57 Å²	57	55 Å²	55	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	26.2	-179.3	-164.9	47.1	0	0	0	114.2	R693 Y694 R762 F764	D691-R693 HydrophobicContact CB-CG 4.19Å; D691-R693 PolarHBondContact O-N 2.74Å; D691-R693 VanDerWaalsContact O-N 3.12Å; D691-R693 WeakPolarHBondContact OD2-CD 3.4Å; D691-Y694 HydrophobicContact CB-CD2 3.97Å; D691-Y694 HydrophobicContact CB-CE2 4.17Å; D691-R762 IonicContact OD1-NH2 2.82Å; D691-R762 IonicContact OD2-CZ 2.76Å; D691-R762 IonicContact OD2-NH1 2.83Å; D691-R762 PolarHBondContact OD2-NH1 3.25Å; D691-R762 IonicContact OD2-NH2 2.83Å; D691-R762 PolarHBondContact OD2-NH2 3.15Å; D691-F764 HydrophobicContact CB-CB 4.44Å; D691-F764 HydrophobicContact CB-CD1 4.09Å; D691-F764 HydrophobicContact CB-CD2 3.72Å; D691-F764 HydrophobicContact CB-CE1 4.22Å; D691-F764 HydrophobicContact CB-CE2 3.87Å; D691-F764 HydrophobicContact CB-CG 3.84Å; D691-F764 HydrophobicContact CB-CZ 4.11Å
692	K	91.4	Very high	89.9	Confident	201 Å²	201	59.9 Å²	59.9	87%	0.874	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	21.6	-174.3	-54.1	-179.1	-178.5	-180	0	114.7	T689 L690	T689-K692 VanDerWaalsContact CG2-C 3.47Å; L690-K692 PolarHBondContact O-N 3.32Å
693	R	94.1	Very high	89	Confident	39 Å²	39	61.2 Å²	61.2	15%	0.147	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	-20.7	-176.9	68	-173.5	-78.8	-173.7	-5.7	117	T689 L690 D691 R712 D713 T714 A715 R762	T689-R693 VanDerWaalsContact CG2-N 3.32Å; L690-R693 PolarHBondContact O-N 3.16Å; D691-R693 HydrophobicContact CB-CG 4.19Å; D691-R693 PolarHBondContact O-N 2.74Å; D691-R693 VanDerWaalsContact O-N 3.12Å; D691-R693 WeakPolarHBondContact OD2-CD 3.4Å; R693-R712 VanDerWaalsContact O-O 3.13Å; R693-D713 IonicContact CZ-OD1 3.15Å; R693-D713 IonicContact CZ-OD2 3.46Å; R693-D713 IonicContact NE-OD1 2.73Å; R693-D713 PolarHBondContact NE-OD1 2.92Å; R693-D713 IonicContact NE-OD2 2.76Å; R693-D713 VanDerWaalsContact NH2-CG 3.3Å; R693-D713 IonicContact NH2-OD1 3.74Å; R693-D713 PolarHBondContact NH2-OD1 2.72Å; R693-D713 VanDerWaalsContact NH2-OD1 3.11Å; R693-D713 IonicContact NH2-OD2 3.23Å; R693-D713 PolarHBondContact NH2-OD2 3.09Å; R693-D713 WeakPolarHBondContact O-CA 3.38Å; R693-T714 PolarHBondContact O-N 2.74Å; R693-T714 PolarHBondContact O-OG1 2.82Å; R693-T714 VanDerWaalsContact O-OG1 3.1Å; R693-A715 HydrophobicContact CB-CB 4.19Å; R693-R762 VanDerWaalsContact NH1-NH1 3.13Å
694	Y	95.9	Very high	88.4	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	93.4	-174	-63.6	-60.3	0	0	0	110.2	T689 L690 D691 V696 R712 D713 V721 R762 F764 V773	T689-Y694 WeakPolarHBondContact CA-O 3.45Å; L690-Y694 PolarHBondContact N-O 3.38Å; L690-Y694 PolarHBondContact O-N 3.18Å; D691-Y694 HydrophobicContact CB-CD2 3.97Å; D691-Y694 HydrophobicContact CB-CE2 4.17Å; Y694-V696 PolarHBondContact O-N 3.29Å; Y694-R712 WeakPolarHBondContact CA-O 3.48Å; Y694-D713 HydrophobicContact CD1-CB 3.92Å; Y694-D713 HydrophobicContact CE1-CB 3.76Å; Y694-D713 VanDerWaalsContact CE1-CG 3.45Å; Y694-V721 HydrophobicContact CD1-CG2 3.73Å; Y694-V721 HydrophobicContact CE1-CG2 3.93Å; Y694-R762 WeakPolarHBondContact OH-CD 3.46Å; Y694-R762 PolarHBondContact OH-NH1 3.28Å; Y694-F764 HydrophobicContact CD2-CD1 4.28Å; Y694-F764 AromaticContact CD2-CE1 3.49Å; Y694-F764 HydrophobicContact CD2-CE1 3.49Å; Y694-F764 VanDerWaalsContact CD2-CE1 3.49Å; Y694-F764 AromaticContact CD2-CZ 3.85Å; Y694-F764 HydrophobicContact CD2-CZ 3.85Å; Y694-F764 AromaticContact CE2-CD1 3.81Å; Y694-F764 HydrophobicContact CE2-CD1 3.81Å; Y694-F764 AromaticContact CE2-CE1 3.39Å; Y694-F764 HydrophobicContact CE2-CE1 3.39Å; Y694-F764 HydrophobicContact CE2-CZ 4.21Å; Y694-V773 HydrophobicContact CE1-CG1 4.03Å; Y694-V773 HydrophobicContact CE2-CG2 3.83Å
695	D	94.9	Very high	88	Confident	61 Å²	61	61.2 Å²	61.2	33%	0.326	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.3	179.1	-65	-19.4	0	0	0	109.8	T689 Y697 A711 R712 T714	T689-D695 WeakPolarHBondContact CB-OD1 3.39Å; T689-D695 WeakPolarHBondContact CG2-OD1 3.46Å; T689-D695 PolarHBondContact OG1-OD1 3.15Å; D695-Y697 PolarHBondContact O-N 2.99Å; D695-A711 CarbonylContact O-C 3.53Å; D695-A711 WeakPolarHBondContact O-CA 3.44Å; D695-R712 PolarHBondContact N-O 3.24Å; D695-R712 PolarHBondContact O-N 2.89Å; D695-T714 WeakPolarHBondContact OD2-CG2 3.41Å
696	V	95.5	Very high	87.9	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.3	-178.1	179.4	0	0	0	0	110.2	V684 G687 E688 L690 Y694 I709 A711	V684-V696 HydrophobicContact CG1-CB 4.43Å; V684-V696 HydrophobicContact CG1-CG1 3.77Å; V684-V696 HydrophobicContact CG1-CG2 4.28Å; G687-V696 PolarHBondContact N-O 3.15Å; E688-V696 WeakPolarHBondContact O-CG2 3.18Å; E688-V696 PolarHBondContact O-N 2.98Å; L690-V696 HydrophobicContact CD1-CG2 3.94Å; L690-V696 HydrophobicContact CG-CG2 3.94Å; Y694-V696 PolarHBondContact O-N 3.29Å; V696-I709 HydrophobicContact CB-CD1 4.42Å; V696-I709 HydrophobicContact CG1-CB 4.39Å; V696-I709 HydrophobicContact CG1-CD1 3.96Å; V696-I709 HydrophobicContact CG2-CD1 3.53Å; V696-A711 HydrophobicContact CG2-CB 4.43Å
697	Y	93.8	Very high	87.9	Confident	80 Å²	80	52.3 Å²	52.3	31%	0.314	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-4.9	-179.7	69.9	-82.9	0	0	0	114.5	D695 R710 A711 R712 E720	D695-Y697 PolarHBondContact O-N 2.99Å; Y697-R710 HydrophobicContact CD1-CB 4.28Å; Y697-R710 WeakPolarHBondContact CD1-O 3.5Å; Y697-R710 VanDerWaalsContact CE1-C 3.48Å; Y697-R710 HydrophobicContact CE1-CB 3.67Å; Y697-R710 HydrophobicContact CE2-CB 4.08Å; Y697-R710 PolarHBondContact N-O 3.17Å; Y697-A711 VanDerWaalsContact CE1-C 3.49Å; Y697-R712 HydrophobicContact CD1-CG 3.79Å; Y697-R712 HydrophobicContact CE1-CG 3.82Å; Y697-E720 PolarHBondContact OH-OE2 3.31Å
698	G	91.5	Very high	88.1	Confident	14 Å²	14	51.4 Å²	51.4	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	172.4	173.8	0	0	0	0	0	114.3	R710	G698-R710 PolarHBondContact N-O 3Å; G698-R710 PolarHBondContact O-N 3.13Å
699	Y	88.1	Confident	88.2	Confident	119 Å²	119	50.1 Å²	50.1	47%	0.467	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	153.7	175.9	-69.5	-87.7	0	0	0	111.4	V684 I686 I709	V684-Y699 HydrophobicContact CB-CE1 4.14Å; V684-Y699 PolarHBondContact O-OH 2.83Å; I686-Y699 HydrophobicContact CD1-CD2 4.3Å; I686-Y699 HydrophobicContact CD1-CE2 4.1Å; I686-Y699 HydrophobicContact CG1-CD2 4.48Å; I686-Y699 HydrophobicContact CG1-CE2 3.97Å; Y699-I709 HydrophobicContact CD1-CG2 3.67Å; Y699-I709 HydrophobicContact CE1-CG2 3.88Å
700	T	83.4	Confident	88.3	Confident	60 Å²	60	50.9 Å²	50.9	37%	0.368	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-38.5	162.6	-55.5	0	0	0	0	110.9	V708 R710	T700-V708 WeakPolarHBondContact CA-O 3.45Å; T700-V708 WeakPolarHBondContact CB-O 3.35Å; T700-V708 PolarHBondContact N-O 2.68Å; T700-R710 WeakPolarHBondContact OG1-CG 3.34Å; T700-R710 PolarHBondContact OG1-NE 3.04Å
701	G	76	Confident	88.4	Confident	32 Å²	32	50.9 Å²	50.9	33%	0.33	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	159.6	172.7	0	0	0	0	0	113.2	V708	G701-V708 PolarHBondContact N-O 2.86Å; G701-V708 VanDerWaalsContact N-O 3.07Å; G701-V708 PolarHBondContact O-N 3.26Å
702	Q	75.6	Confident	88.6	Confident	129 Å²	129	52.8 Å²	52.8	60%	0.603	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.3	168.7	174.4	159.6	22.4	0	0	107.7	Y681 N707	Y681-Q702 HydrophobicContact CE1-CG 3.86Å; Y681-Q702 VanDerWaalsContact CZ-NE2 3.31Å; Q702-N707 VanDerWaalsContact CG-OD1 3.29Å; Q702-N707 WeakPolarHBondContact CG-OD1 3.41Å
703	G	71.8	Confident	88.8	Confident	31 Å²	31	43.5 Å²	43.5	32%	0.32	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	158.1	177.7	0	0	0	0	0	110.8	Y681 F705 S706	Y681-G703 WeakPolarHBondContact CE1-O 3.45Å; Y681-G703 PolarHBondContact OH-O 2.87Å; G703-F705 PolarHBondContact O-N 3.2Å; G703-S706 PolarHBondContact N-O 3Å; G703-S706 PolarHBondContact O-N 3.15Å; G703-S706 VanDerWaalsContact O-O 3.13Å
704	V	75.8	Confident	88.7	Confident	64 Å²	64	45.1 Å²	45.1	39%	0.388	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-22.6	-172.7	-176.8	0	0	0	0	113.8	R727	V704-R727 VanDerWaalsContact O-CZ 3.26Å; V704-R727 PolarHBondContact O-NE 3.17Å; V704-R727 PolarHBondContact O-NH2 3.4Å
705	F	79.6	Confident	88.4	Confident	38 Å²	38	47.4 Å²	47.4	17%	0.167	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-14.7	-177.8	-45.9	-64.7	0	0	0	114.7	I173 Y177 G703 R727 M732	I173-F705 HydrophobicContact CG2-CE1 4.09Å; I173-F705 HydrophobicContact CG2-CZ 4.39Å; Y177-F705 HydrophobicContact CD2-CZ 4.11Å; Y177-F705 AromaticContact CE1-CE2 3.99Å; Y177-F705 HydrophobicContact CE1-CE2 3.99Å; Y177-F705 HydrophobicContact CE1-CZ 4.18Å; Y177-F705 HydrophobicContact CE2-CE1 4.46Å; Y177-F705 AromaticContact CE2-CE2 3.93Å; Y177-F705 HydrophobicContact CE2-CE2 3.93Å; Y177-F705 AromaticContact CE2-CZ 3.42Å; Y177-F705 HydrophobicContact CE2-CZ 3.42Å; Y177-F705 VanDerWaalsContact CE2-CZ 3.42Å; Y177-F705 AromaticContact CZ-CE2 3.45Å; Y177-F705 VanDerWaalsContact CZ-CE2 3.45Å; Y177-F705 AromaticContact CZ-CZ 3.47Å; Y177-F705 VanDerWaalsContact CZ-CZ 3.47Å; Y177-F705 VanDerWaalsContact OH-CE2 3.23Å; Y177-F705 WeakPolarHBondContact OH-CE2 3.31Å; G703-F705 PolarHBondContact O-N 3.2Å; F705-R727 PolarHBondContact O-N 2.84Å; F705-R727 VanDerWaalsContact O-N 3.09Å; F705-M732 HydrophobicContact CD1-CE 3.93Å; F705-M732 HydrophobicContact CD1-SD 3.65Å; F705-M732 HydrophobicContact CE1-CE 4.21Å; F705-M732 HydrophobicContact CE1-SD 4.43Å
706	S	88.9	Confident	88.2	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	148.8	-167.5	60.2	0	0	0	0	113.9	G703 K724 I725	G703-S706 PolarHBondContact N-O 3Å; G703-S706 PolarHBondContact O-N 3.15Å; G703-S706 VanDerWaalsContact O-O 3.13Å; S706-K724 WeakPolarHBondContact OG-CE 3.42Å; S706-K724 WeakPolarHBondContact OG-CG 3.23Å; S706-I725 CarbonylContact C-O 3.51Å; S706-I725 WeakPolarHBondContact CA-O 3.23Å; S706-I725 VanDerWaalsContact CB-O 3.23Å; S706-I725 WeakPolarHBondContact CB-O 3.33Å
707	N	90.8	Very high	87.9	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.053	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131	168	-68.3	-13.8	0	0	0	109.7	Y681 Y682 Q702 I725	Y681-N707 VanDerWaalsContact CD1-OD1 3.25Å; Y681-N707 WeakPolarHBondContact CD1-OD1 3.08Å; Y681-N707 WeakPolarHBondContact CE1-OD1 3.47Å; Y682-N707 PolarHBondContact O-ND2 3.39Å; Q702-N707 VanDerWaalsContact CG-OD1 3.29Å; Q702-N707 WeakPolarHBondContact CG-OD1 3.41Å; N707-I725 PolarHBondContact N-O 2.91Å; N707-I725 PolarHBondContact O-N 2.83Å
708	V	92.2	Very high	87.6	Confident	41 Å²	41	54 Å²	54	25%	0.248	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.3	178.2	-175.4	0	0	0	0	109.9	T700 G701 V723 K724	T700-V708 WeakPolarHBondContact CA-O 3.45Å; T700-V708 WeakPolarHBondContact CB-O 3.35Å; T700-V708 PolarHBondContact N-O 2.68Å; G701-V708 PolarHBondContact N-O 2.86Å; G701-V708 VanDerWaalsContact N-O 3.07Å; G701-V708 PolarHBondContact O-N 3.26Å; V708-V723 WeakPolarHBondContact CA-O 3.39Å; V708-K724 HydrophobicContact CG2-CB 4.31Å; V708-K724 HydrophobicContact CG2-CG 4.06Å
709	I	94.6	Very high	87.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	163.1	-173.9	65.2	178.4	0	0	0	111.8	V684 L690 V696 Y699 A722 V723 I725	V684-I709 HydrophobicContact CG1-CD1 3.82Å; V684-I709 HydrophobicContact CG1-CG2 4.28Å; V684-I709 HydrophobicContact CG2-CD1 4.04Å; V684-I709 HydrophobicContact CG2-CG2 4.11Å; L690-I709 HydrophobicContact CD1-CD1 3.73Å; V696-I709 HydrophobicContact CB-CD1 4.42Å; V696-I709 HydrophobicContact CG1-CB 4.39Å; V696-I709 HydrophobicContact CG1-CD1 3.96Å; V696-I709 HydrophobicContact CG2-CD1 3.53Å; Y699-I709 HydrophobicContact CD1-CG2 3.67Å; Y699-I709 HydrophobicContact CE1-CG2 3.88Å; I709-A722 WeakPolarHBondContact O-CA 3.27Å; I709-V723 HydrophobicContact CD1-CB 4.47Å; I709-V723 HydrophobicContact CG1-CB 3.92Å; I709-V723 PolarHBondContact N-O 2.83Å; I709-V723 PolarHBondContact O-N 3.25Å; I709-I725 HydrophobicContact CD1-CD1 3.77Å
710	R	94.6	Very high	88	Confident	79 Å²	79	55.7 Å²	55.7	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.1	176.2	-53.1	-171.7	176.1	-161.3	-7.1	109	Y697 G698 T700 S778	Y697-R710 HydrophobicContact CD1-CB 4.28Å; Y697-R710 WeakPolarHBondContact CD1-O 3.5Å; Y697-R710 VanDerWaalsContact CE1-C 3.48Å; Y697-R710 HydrophobicContact CE1-CB 3.67Å; Y697-R710 HydrophobicContact CE2-CB 4.08Å; Y697-R710 PolarHBondContact N-O 3.17Å; G698-R710 PolarHBondContact N-O 3Å; G698-R710 PolarHBondContact O-N 3.13Å; T700-R710 WeakPolarHBondContact OG1-CG 3.34Å; T700-R710 PolarHBondContact OG1-NE 3.04Å; R710-S778 PolarHBondContact NH2-O 3.05Å; R710-S778 VanDerWaalsContact NH2-O 3.08Å
711	A	95.7	Very high	88.6	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.3	179.2	0	0	0	0	0	111.7	D695 V696 Y697 V721 V723	D695-A711 CarbonylContact O-C 3.53Å; D695-A711 WeakPolarHBondContact O-CA 3.44Å; V696-A711 HydrophobicContact CG2-CB 4.43Å; Y697-A711 VanDerWaalsContact CE1-C 3.49Å; A711-V721 HydrophobicContact CB-CG2 4.15Å; A711-V721 PolarHBondContact N-O 3.05Å; A711-V721 WeakPolarHBondContact O-CG2 3.4Å; A711-V721 PolarHBondContact O-N 2.85Å; A711-V723 HydrophobicContact CB-CG2 4.2Å
712	R	95.6	Very high	89.5	Confident	97 Å²	97	52.3 Å²	52.3	37%	0.366	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.1	171.3	-66.3	-174.7	-175.4	-72.3	-13.2	109.4	R693 Y694 D695 Y697 T714 Q719 E720	R693-R712 VanDerWaalsContact O-O 3.13Å; Y694-R712 WeakPolarHBondContact CA-O 3.48Å; D695-R712 PolarHBondContact N-O 3.24Å; D695-R712 PolarHBondContact O-N 2.89Å; Y697-R712 HydrophobicContact CD1-CG 3.79Å; Y697-R712 HydrophobicContact CE1-CG 3.82Å; R712-T714 PolarHBondContact O-N 2.76Å; R712-Q719 WeakPolarHBondContact CA-O 3.33Å; R712-E720 IonicContact CZ-OE1 3.64Å; R712-E720 IonicContact NH1-OE1 2.74Å; R712-E720 PolarHBondContact NH1-OE1 2.85Å; R712-E720 IonicContact NH2-OE1 2.76Å; R712-E720 PolarHBondContact NH2-OE1 3.19Å
713	D	95.6	Very high	90.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	96.4	178.6	-169.5	-0.1	0	0	0	110	R693 Y694 A715 R716 A717 G718 Q719 V721	R693-D713 IonicContact CZ-OD1 3.15Å; R693-D713 IonicContact CZ-OD2 3.46Å; R693-D713 IonicContact NE-OD1 2.73Å; R693-D713 PolarHBondContact NE-OD1 2.92Å; R693-D713 IonicContact NE-OD2 2.76Å; R693-D713 VanDerWaalsContact NH2-CG 3.3Å; R693-D713 IonicContact NH2-OD1 3.74Å; R693-D713 PolarHBondContact NH2-OD1 2.72Å; R693-D713 VanDerWaalsContact NH2-OD1 3.11Å; R693-D713 IonicContact NH2-OD2 3.23Å; R693-D713 PolarHBondContact NH2-OD2 3.09Å; R693-D713 WeakPolarHBondContact O-CA 3.38Å; Y694-D713 HydrophobicContact CD1-CB 3.92Å; Y694-D713 HydrophobicContact CE1-CB 3.76Å; Y694-D713 VanDerWaalsContact CE1-CG 3.45Å; D713-A715 PolarHBondContact O-N 2.89Å; D713-A715 PolarHBondContact OD1-N 2.91Å; D713-R716 HydrophobicContact CB-CB 4.08Å; D713-R716 CarbonylContact O-C 3.5Å; D713-R716 VanDerWaalsContact O-C 3.23Å; D713-R716 WeakPolarHBondContact O-CA 3.39Å; D713-R716 PolarHBondContact O-N 3.49Å; D713-R716 VanDerWaalsContact OD2-CG 3.24Å; D713-R716 WeakPolarHBondContact OD2-CG 3.14Å; D713-A717 PolarHBondContact O-N 3.35Å; D713-G718 WeakPolarHBondContact O-CA 3.32Å; D713-G718 PolarHBondContact O-N 3.2Å; D713-Q719 PolarHBondContact N-O 2.88Å; D713-V721 HydrophobicContact CB-CG1 4.45Å
714	T	92.6	Very high	91.6	Very high	73 Å²	73	45.4 Å²	45.4	45%	0.448	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.7	-35.1	-179	60	0	0	0	0	111.5	R693 D695 R712 R716 A717	R693-T714 PolarHBondContact O-N 2.74Å; R693-T714 PolarHBondContact O-OG1 2.82Å; R693-T714 VanDerWaalsContact O-OG1 3.1Å; D695-T714 WeakPolarHBondContact OD2-CG2 3.41Å; R712-T714 PolarHBondContact O-N 2.76Å; T714-R716 PolarHBondContact O-N 3.49Å; T714-R716 VanDerWaalsContact O-N 3.14Å; T714-A717 PolarHBondContact O-N 3.05Å
715	A	90.5	Very high	92.4	Very high	50 Å²	50	42.5 Å²	42.5	41%	0.413	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-69.9	-2.7	173.6	0	0	0	0	0	114	R693 D713	R693-A715 HydrophobicContact CB-CB 4.19Å; D713-A715 PolarHBondContact O-N 2.89Å; D713-A715 PolarHBondContact OD1-N 2.91Å
716	R	90.2	Very high	93.1	Very high	151 Å²	151	41 Å²	41	57%	0.57	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-133.2	46.5	173.2	-64	-64.9	-178.3	-92.1	6.1	111.2	D713 T714 G718 Q719	D713-R716 HydrophobicContact CB-CB 4.08Å; D713-R716 CarbonylContact O-C 3.5Å; D713-R716 VanDerWaalsContact O-C 3.23Å; D713-R716 WeakPolarHBondContact O-CA 3.39Å; D713-R716 PolarHBondContact O-N 3.49Å; D713-R716 VanDerWaalsContact OD2-CG 3.24Å; D713-R716 WeakPolarHBondContact OD2-CG 3.14Å; T714-R716 PolarHBondContact O-N 3.49Å; T714-R716 VanDerWaalsContact O-N 3.14Å; R716-G718 PolarHBondContact O-N 3.22Å; R716-G718 VanDerWaalsContact O-N 3.14Å; R716-Q719 HydrophobicContact CB-CB 4.24Å; R716-Q719 WeakPolarHBondContact O-CB 3.3Å; R716-Q719 PolarHBondContact O-N 2.94Å; R716-Q719 VanDerWaalsContact O-N 3.12Å
717	A	88.9	Confident	93.2	Very high	108 Å²	108	42 Å²	42	89%	0.893	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	29.8	174	0	0	0	0	0	114.8	D713 T714	D713-A717 PolarHBondContact O-N 3.35Å; T714-A717 PolarHBondContact O-N 3.05Å
718	G	87.8	Confident	93.1	Very high	25 Å²	25	43.4 Å²	43.4	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	16.5	178.5	0	0	0	0	0	114.7	D713 R716 E720	D713-G718 WeakPolarHBondContact O-CA 3.32Å; D713-G718 PolarHBondContact O-N 3.2Å; R716-G718 PolarHBondContact O-N 3.22Å; R716-G718 VanDerWaalsContact O-N 3.14Å; G718-E720 PolarHBondContact O-N 3.41Å
719	Q	93.8	Very high	92.9	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	132.2	173.9	-179.9	177.1	-2.3	0	0	110.8	R712 D713 R716	R712-Q719 WeakPolarHBondContact CA-O 3.33Å; D713-Q719 PolarHBondContact N-O 2.88Å; R716-Q719 HydrophobicContact CB-CB 4.24Å; R716-Q719 WeakPolarHBondContact O-CB 3.3Å; R716-Q719 PolarHBondContact O-N 2.94Å; R716-Q719 VanDerWaalsContact O-N 3.12Å
720	E	94.8	Very high	92.6	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137	177.3	-61.1	-170.9	-168.2	0	0	110.7	Y697 R712 G718 P776	Y697-E720 PolarHBondContact OH-OE2 3.31Å; R712-E720 IonicContact CZ-OE1 3.64Å; R712-E720 IonicContact NH1-OE1 2.74Å; R712-E720 PolarHBondContact NH1-OE1 2.85Å; R712-E720 IonicContact NH2-OE1 2.76Å; R712-E720 PolarHBondContact NH2-OE1 3.19Å; G718-E720 PolarHBondContact O-N 3.41Å; E720-P776 HydrophobicContact CB-CB 4.13Å; E720-P776 HydrophobicContact CB-CG 4.41Å; E720-P776 WeakPolarHBondContact O-CD 3.34Å; E720-P776 WeakPolarHBondContact O-CG 3.3Å
721	V	95.5	Very high	92.3	Very high	3 Å²	3	52 Å²	52	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.8	176.8	-62.9	0	0	0	0	110.2	Y694 A711 D713 V723 F761 V773	Y694-V721 HydrophobicContact CD1-CG2 3.73Å; Y694-V721 HydrophobicContact CE1-CG2 3.93Å; A711-V721 HydrophobicContact CB-CG2 4.15Å; A711-V721 PolarHBondContact N-O 3.05Å; A711-V721 WeakPolarHBondContact O-CG2 3.4Å; A711-V721 PolarHBondContact O-N 2.85Å; D713-V721 HydrophobicContact CB-CG1 4.45Å; V721-V723 HydrophobicContact CG2-CG2 4.2Å; V721-F761 HydrophobicContact CG1-CD2 4.04Å; V721-F761 HydrophobicContact CG1-CE2 4.06Å; V721-V773 HydrophobicContact CB-CG1 3.88Å; V721-V773 HydrophobicContact CG1-CG1 4.12Å; V721-V773 HydrophobicContact CG2-CG1 4.02Å
722	A	95.6	Very high	92	Very high	18 Å²	18	53.1 Å²	53.1	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.4	166.3	0	0	0	0	0	109.4	I709 F774	I709-A722 WeakPolarHBondContact O-CA 3.27Å; A722-F774 HydrophobicContact CB-CB 4.3Å; A722-F774 PolarHBondContact N-O 3.06Å; A722-F774 VanDerWaalsContact N-O 3.13Å; A722-F774 PolarHBondContact O-N 2.99Å
723	V	95.4	Very high	91.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.9	176.2	-172.7	0	0	0	0	109.1	V708 I709 A711 V721 I725 F764 C771 L772 V773	V708-V723 WeakPolarHBondContact CA-O 3.39Å; I709-V723 HydrophobicContact CD1-CB 4.47Å; I709-V723 HydrophobicContact CG1-CB 3.92Å; I709-V723 PolarHBondContact N-O 2.83Å; I709-V723 PolarHBondContact O-N 3.25Å; A711-V723 HydrophobicContact CB-CG2 4.2Å; V721-V723 HydrophobicContact CG2-CG2 4.2Å; V723-I725 HydrophobicContact CG1-CG1 4.05Å; V723-F764 HydrophobicContact CG1-CE1 4.32Å; V723-F764 HydrophobicContact CG1-CZ 4.15Å; V723-C771 HydrophobicContact CG1-CB 4.11Å; V723-L772 CarbonylContact C-O 3.53Å; V723-L772 WeakPolarHBondContact CA-O 3.3Å; V723-V773 HydrophobicContact CG2-CG2 4.45Å
724	K	94.5	Very high	91.5	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.065	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.2	172.4	-172.1	-176	-163.9	-173	0	108.1	S706 V708 I726 E739 C771 L772 F774 D841	S706-K724 WeakPolarHBondContact OG-CE 3.42Å; S706-K724 WeakPolarHBondContact OG-CG 3.23Å; V708-K724 HydrophobicContact CG2-CB 4.31Å; V708-K724 HydrophobicContact CG2-CG 4.06Å; K724-I726 HydrophobicContact CD-CD1 3.98Å; K724-I726 HydrophobicContact CG-CD1 4.05Å; K724-E739 IonicContact NZ-OE1 2.63Å; K724-E739 PolarHBondContact NZ-OE1 2.89Å; K724-E739 IonicContact NZ-OE2 2.82Å; K724-E739 PolarHBondContact NZ-OE2 3.3Å; K724-C771 WeakPolarHBondContact O-CA 3.49Å; K724-L772 HydrophobicContact CB-CB 4.38Å; K724-L772 PolarHBondContact N-O 2.89Å; K724-L772 PolarHBondContact O-N 3.5Å; K724-F774 HydrophobicContact CB-CD2 4.28Å; K724-F774 HydrophobicContact CB-CE2 3.74Å; K724-F774 HydrophobicContact CD-CE2 4.26Å; K724-D841 IonicContact NZ-OD1 3.39Å; K724-D841 PolarHBondContact NZ-OD1 3.43Å
725	I	94.2	Very high	91.4	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.2	178.7	-53.5	-178.7	0	0	0	107.4	Y682 V684 L690 S706 N707 I709 V723 H769	Y682-I725 HydrophobicContact CD1-CD1 3.78Å; Y682-I725 HydrophobicContact CD1-CG2 4.25Å; Y682-I725 HydrophobicContact CE1-CD1 4.43Å; Y682-I725 HydrophobicContact CG-CG2 4.21Å; V684-I725 HydrophobicContact CG2-CD1 3.75Å; L690-I725 HydrophobicContact CD1-CD1 3.84Å; S706-I725 CarbonylContact C-O 3.51Å; S706-I725 WeakPolarHBondContact CA-O 3.23Å; S706-I725 VanDerWaalsContact CB-O 3.23Å; S706-I725 WeakPolarHBondContact CB-O 3.33Å; N707-I725 PolarHBondContact N-O 2.91Å; N707-I725 PolarHBondContact O-N 2.83Å; I709-I725 HydrophobicContact CD1-CD1 3.77Å; V723-I725 HydrophobicContact CG1-CG1 4.05Å; I725-H769 HydrophobicContact CG2-CB 3.56Å
726	I	93.4	Very high	91.5	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.1	-178.6	-53.7	-60.5	0	0	0	109.6	K724 M732 H769 L770	K724-I726 HydrophobicContact CD-CD1 3.98Å; K724-I726 HydrophobicContact CG-CD1 4.05Å; I726-M732 HydrophobicContact CG2-CB 4.08Å; I726-M732 WeakPolarHBondContact CG2-O 3.39Å; I726-H769 PolarHBondContact O-ND1 3.05Å; I726-L770 HydrophobicContact CB-CB 4.27Å; I726-L770 HydrophobicContact CG1-CB 4.22Å; I726-L770 HydrophobicContact CG1-CD2 4.37Å; I726-L770 HydrophobicContact CG1-CG 4.28Å; I726-L770 WeakPolarHBondContact CG1-O 3.4Å; I726-L770 PolarHBondContact N-O 2.92Å
727	R	91.1	Very high	91.7	Very high	28 Å²	28	49.3 Å²	49.3	11%	0.106	27%	0.266	C	S	.	.			trans	-55.2	143	173.6	-73.9	-175.9	-169.7	-122.9	15.3	111.7	E679 G680 Y681 V704 F705 N729 M732	E679-R727 PolarHBondContact O-NH1 3.21Å; E679-R727 IonicContact OE2-CZ 3.77Å; E679-R727 IonicContact OE2-NH1 2.68Å; E679-R727 PolarHBondContact OE2-NH1 3.23Å; E679-R727 IonicContact OE2-NH2 3.66Å; E679-R727 PolarHBondContact OE2-NH2 2.87Å; E679-R727 VanDerWaalsContact OE2-NH2 3.09Å; G680-R727 CarbonylContact O-C 3.42Å; G680-R727 WeakPolarHBondContact O-CA 3.43Å; G680-R727 WeakPolarHBondContact O-CB 3.42Å; Y681-R727 HydrophobicContact CD1-CG 4Å; Y681-R727 HydrophobicContact CE1-CG 4.29Å; Y681-R727 VanDerWaalsContact CE2-NH2 3.26Å; Y681-R727 HydrophobicContact CG-CG 4.45Å; Y681-R727 PolarHBondContact OH-NH2 3.45Å; V704-R727 VanDerWaalsContact O-CZ 3.26Å; V704-R727 PolarHBondContact O-NE 3.17Å; V704-R727 PolarHBondContact O-NH2 3.4Å; F705-R727 PolarHBondContact O-N 2.84Å; F705-R727 VanDerWaalsContact O-N 3.09Å; R727-N729 PolarHBondContact O-N 2.77Å; R727-M732 HydrophobicContact CB-CB 4.2Å; R727-M732 HydrophobicContact CB-CG 4.32Å
728	N	88.6	Confident	91.9	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	24%	0.244	C	C	.	.	S	Bend	trans	-78.4	74.6	170.8	-169.9	16.8	0	0	0	110.2	T676 G680 Q733 Q768 H769	T676-N728 HydrophobicContact CG2-CB 4.27Å; G680-N728 PolarHBondContact O-N 3.16Å; N728-Q733 PolarHBondContact OD1-NE2 2.87Å; N728-Q768 PolarHBondContact ND2-OE1 2.86Å; N728-H769 VanDerWaalsContact CB-CE1 3.48Å; N728-H769 WeakPolarHBondContact CB-CE1 3.29Å; N728-H769 PolarHBondContact N-CE1 3.11Å; N728-H769 PolarHBondContact N-ND1 2.8Å
729	N	88.4	Confident	92.2	Very high	72 Å²	72	47.7 Å²	47.7	39%	0.385	23%	0.232	S	C	.	.	S	Bend	trans	-142.6	131.1	175.2	171.2	-45.4	0	0	0	106.3	R727 L731 M732 Q733	R727-N729 PolarHBondContact O-N 2.77Å; N729-L731 VanDerWaalsContact C-N 3.28Å; N729-L731 PolarHBondContact O-N 3.04Å; N729-L731 WeakPolarHBondContact OD1-CB 3.28Å; N729-L731 PolarHBondContact OD1-N 2.82Å; N729-M732 HydrophobicContact CB-CB 4.19Å; N729-M732 HydrophobicContact CB-CG 3.99Å; N729-M732 CarbonylContact O-C 3.43Å; N729-M732 WeakPolarHBondContact O-CA 3.22Å; N729-M732 WeakPolarHBondContact O-CB 3.31Å; N729-M732 PolarHBondContact O-N 2.97Å; N729-Q733 PolarHBondContact O-N 3.28Å
730	E	88.4	Confident	92.3	Very high	159 Å²	159	43.9 Å²	43.9	74%	0.743	22%	0.215	S	C	*	.	H	α-helix	trans	-53.2	-43	-173.2	-167.6	-165.5	153.7	0	0	113	M732 Q733 K734	E730-M732 VanDerWaalsContact C-N 3.27Å; E730-M732 PolarHBondContact O-N 3.31Å; E730-Q733 PolarHBondContact O-N 2.91Å; E730-K734 VanDerWaalsContact O-CB 3.26Å; E730-K734 WeakPolarHBondContact O-CB 3.27Å; E730-K734 PolarHBondContact O-N 3.43Å
731	L	87.9	Confident	92.3	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.366	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-35.9	178.1	-174.9	59.4	0	0	0	111.6	I173 N729 T735	I173-L731 HydrophobicContact CD1-CD1 4.35Å; I173-L731 HydrophobicContact CD1-CD2 3.87Å; I173-L731 HydrophobicContact CD1-CG 4.08Å; I173-L731 HydrophobicContact CG1-CD2 3.89Å; N729-L731 VanDerWaalsContact C-N 3.28Å; N729-L731 PolarHBondContact O-N 3.04Å; N729-L731 WeakPolarHBondContact OD1-CB 3.28Å; N729-L731 PolarHBondContact OD1-N 2.82Å; L731-T735 WeakPolarHBondContact O-CB 3.49Å; L731-T735 PolarHBondContact O-N 3.47Å; L731-T735 VanDerWaalsContact O-N 3.11Å; L731-T735 PolarHBondContact O-OG1 3.43Å
732	M	89.3	Confident	92.3	Very high	23 Å²	23	45.4 Å²	45.4	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-79.5	-38.2	178.7	-57.6	-54.7	166.2	0	0	112	I173 F705 I726 R727 N729 E730 T735 G736	I173-M732 HydrophobicContact CG1-CE 4.21Å; F705-M732 HydrophobicContact CD1-CE 3.93Å; F705-M732 HydrophobicContact CD1-SD 3.65Å; F705-M732 HydrophobicContact CE1-CE 4.21Å; F705-M732 HydrophobicContact CE1-SD 4.43Å; I726-M732 HydrophobicContact CG2-CB 4.08Å; I726-M732 WeakPolarHBondContact CG2-O 3.39Å; R727-M732 HydrophobicContact CB-CB 4.2Å; R727-M732 HydrophobicContact CB-CG 4.32Å; N729-M732 HydrophobicContact CB-CB 4.19Å; N729-M732 HydrophobicContact CB-CG 3.99Å; N729-M732 CarbonylContact O-C 3.43Å; N729-M732 WeakPolarHBondContact O-CA 3.22Å; N729-M732 WeakPolarHBondContact O-CB 3.31Å; N729-M732 PolarHBondContact O-N 2.97Å; E730-M732 VanDerWaalsContact C-N 3.27Å; E730-M732 PolarHBondContact O-N 3.31Å; M732-T735 PolarHBondContact O-N 3.15Å; M732-G736 PolarHBondContact O-N 3.06Å
733	Q	89.9	Confident	92.3	Very high	48 Å²	48	44.6 Å²	44.6	22%	0.224	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-47.1	171.2	-66.9	-164.3	25.7	0	0	111.1	N728 N729 E730 T735 G736 L737	N728-Q733 PolarHBondContact OD1-NE2 2.87Å; N729-Q733 PolarHBondContact O-N 3.28Å; E730-Q733 PolarHBondContact O-N 2.91Å; Q733-T735 VanDerWaalsContact C-N 3.27Å; Q733-T735 PolarHBondContact O-N 3.18Å; Q733-G736 PolarHBondContact O-N 3.17Å; Q733-G736 VanDerWaalsContact O-N 3.17Å; Q733-L737 WeakPolarHBondContact O-CG 3.25Å; Q733-L737 PolarHBondContact O-N 2.94Å
734	K	91.2	Very high	92.3	Very high	132 Å²	132	49.8 Å²	49.8	57%	0.574	23%	0.234	S	C	*	.	H	α-helix	trans	-58.6	-38.2	175.7	-172.5	172.8	-173.7	169.9	0	112.2	E730 K738	E730-K734 VanDerWaalsContact O-CB 3.26Å; E730-K734 WeakPolarHBondContact O-CB 3.27Å; E730-K734 PolarHBondContact O-N 3.43Å; K734-K738 PolarHBondContact O-N 2.94Å
735	T	90.8	Very high	92.4	Very high	38 Å²	38	52.8 Å²	52.8	23%	0.233	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-42.8	175	-58.3	0	0	0	0	111.9	L731 M732 Q733 L737 K738 E739 G843	L731-T735 WeakPolarHBondContact O-CB 3.49Å; L731-T735 PolarHBondContact O-N 3.47Å; L731-T735 VanDerWaalsContact O-N 3.11Å; L731-T735 PolarHBondContact O-OG1 3.43Å; M732-T735 PolarHBondContact O-N 3.15Å; Q733-T735 VanDerWaalsContact C-N 3.27Å; Q733-T735 PolarHBondContact O-N 3.18Å; T735-L737 VanDerWaalsContact C-N 3.32Å; T735-L737 PolarHBondContact O-N 3.43Å; T735-K738 WeakPolarHBondContact O-CB 3.27Å; T735-K738 PolarHBondContact O-N 3.38Å; T735-E739 PolarHBondContact O-N 3.25Å; T735-G843 WeakPolarHBondContact CG2-O 3.18Å
736	G	92.7	Very high	92.5	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-30.7	175.3	0	0	0	0	0	113.8	M732 Q733 L740	M732-G736 PolarHBondContact O-N 3.06Å; Q733-G736 PolarHBondContact O-N 3.17Å; Q733-G736 VanDerWaalsContact O-N 3.17Å; G736-L740 WeakPolarHBondContact O-CB 3.34Å; G736-L740 PolarHBondContact O-N 3.09Å
737	L	93.8	Very high	92.6	Very high	76 Å²	76	53.8 Å²	53.8	40%	0.398	25%	0.253	S	S	.	.	H	α-helix	trans	-68.8	-41.6	171.4	-74.1	171.3	0	0	0	111.8	Q733 T735 L740 E741 L770	Q733-L737 WeakPolarHBondContact O-CG 3.25Å; Q733-L737 PolarHBondContact O-N 2.94Å; T735-L737 VanDerWaalsContact C-N 3.32Å; T735-L737 PolarHBondContact O-N 3.43Å; L737-L740 WeakPolarHBondContact O-CB 2.92Å; L737-L740 PolarHBondContact O-N 2.76Å; L737-E741 PolarHBondContact O-N 2.91Å; L737-L770 HydrophobicContact CD2-CD2 4.18Å; L737-L770 HydrophobicContact CG-CD2 4.26Å
738	K	92.4	Very high	92.8	Very high	96 Å²	96	58.3 Å²	58.3	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-45.6	170.7	-75.3	-168.3	172.8	-163.4	0	112	K734 T735 L740 E741 F742	K734-K738 PolarHBondContact O-N 2.94Å; T735-K738 WeakPolarHBondContact O-CB 3.27Å; T735-K738 PolarHBondContact O-N 3.38Å; K738-L740 VanDerWaalsContact C-N 3.32Å; K738-L740 PolarHBondContact O-N 3.27Å; K738-E741 WeakPolarHBondContact O-CB 2.93Å; K738-E741 PolarHBondContact O-N 3.38Å; K738-E741 VanDerWaalsContact O-N 3.14Å; K738-F742 HydrophobicContact CB-CD2 4.47Å; K738-F742 HydrophobicContact CB-CE2 3.98Å; K738-F742 WeakPolarHBondContact O-CD2 3.45Å; K738-F742 WeakPolarHBondContact O-CG 3.36Å; K738-F742 PolarHBondContact O-N 2.68Å
739	E	94.3	Very high	93.1	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-45.7	175.1	166.4	164.9	-136.9	0	0	111.4	K724 T735 E741 F742 L743 L772 F842	K724-E739 IonicContact NZ-OE1 2.63Å; K724-E739 PolarHBondContact NZ-OE1 2.89Å; K724-E739 IonicContact NZ-OE2 2.82Å; K724-E739 PolarHBondContact NZ-OE2 3.3Å; T735-E739 PolarHBondContact O-N 3.25Å; E739-E741 PolarHBondContact O-N 2.92Å; E739-F742 PolarHBondContact O-N 2.91Å; E739-L743 HydrophobicContact CG-CD1 3.56Å; E739-L743 HydrophobicContact CG-CG 4.39Å; E739-L743 VanDerWaalsContact O-CB 3.3Å; E739-L743 WeakPolarHBondContact O-CB 3.49Å; E739-L743 WeakPolarHBondContact O-CD1 3.46Å; E739-L743 VanDerWaalsContact O-CG 3.23Å; E739-L743 WeakPolarHBondContact O-CG 3.44Å; E739-L743 PolarHBondContact O-N 2.94Å; E739-L772 HydrophobicContact CG-CD1 4Å; E739-F842 HydrophobicContact CB-CB 4.46Å; E739-F842 HydrophobicContact CG-CB 4.11Å; E739-F842 PolarHBondContact OE1-N 2.94Å; E739-F842 VanDerWaalsContact OE1-N 3.07Å
740	L	95.2	Very high	93.5	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-42.4	174.2	167.9	160.8	0	0	0	112.7	G736 L737 K738 R744 H763 L772	G736-L740 WeakPolarHBondContact O-CB 3.34Å; G736-L740 PolarHBondContact O-N 3.09Å; L737-L740 WeakPolarHBondContact O-CB 2.92Å; L737-L740 PolarHBondContact O-N 2.76Å; K738-L740 VanDerWaalsContact C-N 3.32Å; K738-L740 PolarHBondContact O-N 3.27Å; L740-R744 WeakPolarHBondContact O-CG 3.37Å; L740-R744 PolarHBondContact O-N 3.25Å; L740-H763 HydrophobicContact CD1-CB 3.8Å; L740-H763 WeakPolarHBondContact CD1-CD2 3.37Å; L740-L772 HydrophobicContact CB-CD2 4.07Å; L740-L772 HydrophobicContact CD1-CD2 3.95Å; L740-L772 HydrophobicContact CG-CD2 4.45Å
741	E	95.3	Very high	93.7	Very high	106 Å²	106	51.9 Å²	51.9	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-49.2	177.4	-173.1	-174.9	168.6	0	0	111.1	L737 K738 E739 L743 R744 K745	L737-E741 PolarHBondContact O-N 2.91Å; K738-E741 WeakPolarHBondContact O-CB 2.93Å; K738-E741 PolarHBondContact O-N 3.38Å; K738-E741 VanDerWaalsContact O-N 3.14Å; E739-E741 PolarHBondContact O-N 2.92Å; E741-L743 PolarHBondContact O-N 2.55Å; E741-R744 PolarHBondContact O-N 3.34Å; E741-K745 WeakPolarHBondContact O-CB 3.49Å; E741-K745 PolarHBondContact O-N 3.34Å
742	F	95.5	Very high	94	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-44.7	176.7	-63	-43	0	0	0	111.7	K738 E739 R744 K745 L746 I818 A845 H847	K738-F742 HydrophobicContact CB-CD2 4.47Å; K738-F742 HydrophobicContact CB-CE2 3.98Å; K738-F742 WeakPolarHBondContact O-CD2 3.45Å; K738-F742 WeakPolarHBondContact O-CG 3.36Å; K738-F742 PolarHBondContact O-N 2.68Å; E739-F742 PolarHBondContact O-N 2.91Å; F742-R744 PolarHBondContact O-N 2.89Å; F742-K745 PolarHBondContact O-N 3.49Å; F742-L746 WeakPolarHBondContact O-CB 3.46Å; F742-L746 WeakPolarHBondContact O-CG 3.47Å; F742-L746 PolarHBondContact O-N 3.34Å; F742-I818 HydrophobicContact CB-CD1 4.04Å; F742-I818 HydrophobicContact CD1-CD1 3.76Å; F742-I818 HydrophobicContact CD1-CG1 3.8Å; F742-I818 HydrophobicContact CD1-CG2 4.43Å; F742-I818 HydrophobicContact CE1-CG1 4.27Å; F742-I818 HydrophobicContact CG-CD1 4.22Å; F742-A845 HydrophobicContact CD2-CB 3.66Å; F742-A845 HydrophobicContact CE2-CB 3.77Å; F742-A845 VanDerWaalsContact CE2-O 3.25Å; F742-A845 WeakPolarHBondContact CE2-O 3.43Å; F742-A845 HydrophobicContact CG-CB 4.46Å; F742-H847 AromaticContact CE1-CE1 3.63Å; F742-H847 AromaticContact CE1-ND1 3.88Å; F742-H847 AromaticContact CE1-NE2 3.83Å
743	L	95.9	Very high	94.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-41.5	178	-78.6	162.4	0	0	0	112.8	E739 E741 N747 L758 L760 L772 F774 F842	E739-L743 HydrophobicContact CG-CD1 3.56Å; E739-L743 HydrophobicContact CG-CG 4.39Å; E739-L743 VanDerWaalsContact O-CB 3.3Å; E739-L743 WeakPolarHBondContact O-CB 3.49Å; E739-L743 WeakPolarHBondContact O-CD1 3.46Å; E739-L743 VanDerWaalsContact O-CG 3.23Å; E739-L743 WeakPolarHBondContact O-CG 3.44Å; E739-L743 PolarHBondContact O-N 2.94Å; E741-L743 PolarHBondContact O-N 2.55Å; L743-N747 WeakPolarHBondContact O-CB 3.21Å; L743-N747 PolarHBondContact O-N 2.76Å; L743-L758 WeakPolarHBondContact CD2-O 3.37Å; L743-L760 HydrophobicContact CB-CB 3.97Å; L743-L760 HydrophobicContact CB-CD2 3.94Å; L743-L760 HydrophobicContact CD1-CB 4.37Å; L743-L760 HydrophobicContact CD1-CD1 4.44Å; L743-L760 HydrophobicContact CD2-CB 4.49Å; L743-L772 HydrophobicContact CD1-CD1 4.43Å; L743-F774 HydrophobicContact CD1-CE1 3.51Å; L743-F774 HydrophobicContact CD1-CZ 3.61Å; L743-F774 HydrophobicContact CD2-CE1 4.01Å; L743-F774 HydrophobicContact CG-CE1 4.4Å; L743-F842 HydrophobicContact CD2-CD2 3.56Å; L743-F842 HydrophobicContact CD2-CE2 3.71Å; L743-F842 HydrophobicContact CG-CD2 3.92Å
744	R	95.6	Very high	94.5	Very high	109 Å²	109	58.9 Å²	58.9	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-53.2	172.1	-72.6	-180	-171.3	-178.5	6.6	110.6	L740 E741 F742 L746 N747 D748 L760 H763	L740-R744 WeakPolarHBondContact O-CG 3.37Å; L740-R744 PolarHBondContact O-N 3.25Å; E741-R744 PolarHBondContact O-N 3.34Å; F742-R744 PolarHBondContact O-N 2.89Å; R744-L746 VanDerWaalsContact C-N 3.26Å; R744-L746 PolarHBondContact O-N 3.5Å; R744-N747 WeakPolarHBondContact O-CA 3.38Å; R744-N747 WeakPolarHBondContact O-CB 3.49Å; R744-N747 PolarHBondContact O-N 2.8Å; R744-D748 PolarHBondContact O-N 3.26Å; R744-L760 HydrophobicContact CG-CD2 4.23Å; R744-H763 PolarHBondContact NH2-CE1 3.06Å; R744-H763 PolarHBondContact NH2-NE2 3.49Å
745	K	95.9	Very high	94.7	Very high	79 Å²	79	54.5 Å²	54.5	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-36.4	-179.5	-164.8	-177.7	-168.1	-173.2	0	113.2	E741 F742 A749 C816 I818 H847	E741-K745 WeakPolarHBondContact O-CB 3.49Å; E741-K745 PolarHBondContact O-N 3.34Å; F742-K745 PolarHBondContact O-N 3.49Å; K745-A749 VanDerWaalsContact O-CB 3.27Å; K745-A749 WeakPolarHBondContact O-CB 3.38Å; K745-A749 PolarHBondContact O-N 3.11Å; K745-C816 HydrophobicContact CD-CB 4.48Å; K745-C816 WeakPolarHBondContact CE-O 3.37Å; K745-C816 PolarHBondContact NZ-O 3.23Å; K745-I818 HydrophobicContact CD-CD1 4.38Å; K745-H847 PolarHBondContact NZ-CE1 3.12Å; K745-H847 PolarHBondContact NZ-NE2 3.03Å
746	L	96	Very high	95	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-70.9	-42.6	173.9	-70.3	168.5	0	0	0	111.6	F742 R744 D750 L812 L813 C816 I818 F842	F742-L746 WeakPolarHBondContact O-CB 3.46Å; F742-L746 WeakPolarHBondContact O-CG 3.47Å; F742-L746 PolarHBondContact O-N 3.34Å; R744-L746 VanDerWaalsContact C-N 3.26Å; R744-L746 PolarHBondContact O-N 3.5Å; L746-D750 PolarHBondContact O-N 3.19Å; L746-D750 VanDerWaalsContact O-N 3.17Å; L746-L812 HydrophobicContact CB-CD2 4.08Å; L746-L812 HydrophobicContact CD2-CD2 3.71Å; L746-L812 HydrophobicContact CD2-CG 3.64Å; L746-L812 HydrophobicContact CG-CD2 4.49Å; L746-L813 HydrophobicContact CD1-CD2 4.11Å; L746-L813 HydrophobicContact CD2-CD2 3.93Å; L746-C816 HydrophobicContact CD2-CB 4.19Å; L746-I818 HydrophobicContact CD1-CD1 4.29Å; L746-I818 HydrophobicContact CD2-CD1 3.95Å; L746-I818 HydrophobicContact CG-CD1 3.86Å; L746-F842 HydrophobicContact CD1-CD1 4.1Å; L746-F842 HydrophobicContact CD1-CE1 3.62Å; L746-F842 HydrophobicContact CD1-CE2 4.2Å; L746-F842 HydrophobicContact CD1-CZ 3.68Å
747	N	95.6	Very high	95.2	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-47.7	176.9	-86.3	-8.3	0	0	0	112.7	L743 R744 A749 D750 R759 L760	L743-N747 WeakPolarHBondContact O-CB 3.21Å; L743-N747 PolarHBondContact O-N 2.76Å; R744-N747 WeakPolarHBondContact O-CA 3.38Å; R744-N747 WeakPolarHBondContact O-CB 3.49Å; R744-N747 PolarHBondContact O-N 2.8Å; N747-A749 VanDerWaalsContact C-N 3.26Å; N747-A749 PolarHBondContact O-N 3.29Å; N747-D750 CarbonylContact O-C 3.23Å; N747-D750 PolarHBondContact O-N 2.84Å; N747-D750 VanDerWaalsContact O-N 3.13Å; N747-R759 WeakPolarHBondContact OD1-CD 3.31Å; N747-R759 PolarHBondContact OD1-NH1 3.39Å; N747-L760 PolarHBondContact ND2-O 3.2Å
748	D	95.6	Very high	95.3	Very high	124 Å²	124	51.1 Å²	51.1	66%	0.663	25%	0.254	S	S	*	.	H	α-helix	trans	-65.8	-32.3	-178.2	-58.7	-30.6	0	0	0	111.3	R744	R744-D748 PolarHBondContact O-N 3.26Å
749	A	96	Very high	95.4	Very high	27 Å²	27	48.1 Å²	48.1	22%	0.223	24%	0.24	C	C	.	.	H	α-helix	trans	-76.5	-20.4	175.2	0	0	0	0	0	113.9	K745 N747 L812 R815 C816	K745-A749 VanDerWaalsContact O-CB 3.27Å; K745-A749 WeakPolarHBondContact O-CB 3.38Å; K745-A749 PolarHBondContact O-N 3.11Å; N747-A749 VanDerWaalsContact C-N 3.26Å; N747-A749 PolarHBondContact O-N 3.29Å; A749-L812 HydrophobicContact CB-CD1 3.92Å; A749-R815 VanDerWaalsContact O-CZ 3.23Å; A749-R815 PolarHBondContact O-NH1 3.38Å; A749-R815 PolarHBondContact O-NH2 3.43Å; A749-C816 VanDerWaalsContact CB-SG 3.57Å
750	D	95.8	Very high	95.5	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.027	24%	0.243	C	C	.	.			trans	-128.6	80.2	174.8	-177.8	19.2	0	0	0	111.3	L746 N747 D752 D753 K754 F755 R759 L812	L746-D750 PolarHBondContact O-N 3.19Å; L746-D750 VanDerWaalsContact O-N 3.17Å; N747-D750 CarbonylContact O-C 3.23Å; N747-D750 PolarHBondContact O-N 2.84Å; N747-D750 VanDerWaalsContact O-N 3.13Å; D750-D752 PolarHBondContact O-N 3.48Å; D750-D752 PolarHBondContact OD1-N 3.31Å; D750-D753 PolarHBondContact OD1-N 2.98Å; D750-D753 VanDerWaalsContact OD1-N 3.1Å; D750-D753 WeakPolarHBondContact OD2-CA 3.1Å; D750-K754 PolarHBondContact OD1-N 3.21Å; D750-K754 VanDerWaalsContact OD1-N 3.1Å; D750-K754 PolarHBondContact OD2-N 3.31Å; D750-F755 HydrophobicContact CB-CD2 3.94Å; D750-F755 WeakPolarHBondContact OD2-CB 3.47Å; D750-F755 PolarHBondContact OD2-N 2.88Å; D750-R759 PolarHBondContact O-NH1 2.94Å; D750-R759 PolarHBondContact O-NH2 2.94Å; D750-L812 HydrophobicContact CB-CD1 4.08Å; D750-L812 HydrophobicContact CB-CD2 4.14Å
751	P	93.6	Very high	95.5	Very high	104 Å²	104	52.7 Å²	52.7	68%	0.675	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24	174.6	-24.6	35.9	0	0	0	113.6
752	D	93.9	Very high	95.5	Very high	108 Å²	108	51.1 Å²	51.1	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.1	-167.3	-68.6	-50.8	0	0	0	115.4	D750 K754	D750-D752 PolarHBondContact O-N 3.48Å; D750-D752 PolarHBondContact OD1-N 3.31Å; D752-K754 VanDerWaalsContact C-N 3.3Å; D752-K754 HydrophobicContact CB-CB 4.5Å; D752-K754 HydrophobicContact CB-CD 3.52Å; D752-K754 VanDerWaalsContact CB-CE 3.44Å; D752-K754 HydrophobicContact CB-CG 3.73Å; D752-K754 PolarHBondContact O-N 3.19Å; D752-K754 IonicContact OD1-NZ 2.68Å; D752-K754 IonicContact OD2-NZ 3.58Å; D752-K754 PolarHBondContact OD2-NZ 2.88Å
753	D	94.6	Very high	95.5	Very high	58 Å²	58	54 Å²	54	31%	0.31	26%	0.263	S	S	.	.			trans	64.4	28	-175.2	-156	39.7	0	0	0	114.3	D750 R759 K838	D750-D753 PolarHBondContact OD1-N 2.98Å; D750-D753 VanDerWaalsContact OD1-N 3.1Å; D750-D753 WeakPolarHBondContact OD2-CA 3.1Å; D753-R759 IonicContact OD1-CZ 3.36Å; D753-R759 IonicContact OD1-NE 2.65Å; D753-R759 PolarHBondContact OD1-NE 3.04Å; D753-R759 IonicContact OD1-NH2 2.71Å; D753-K838 IonicContact OD1-NZ 2.77Å; D753-K838 PolarHBondContact OD1-NZ 2.93Å; D753-K838 WeakPolarHBondContact OD2-CE 3.37Å; D753-K838 IonicContact OD2-NZ 3.11Å; D753-K838 PolarHBondContact OD2-NZ 3.48Å
754	K	94.7	Very high	95.5	Very high	123 Å²	123	54.5 Å²	54.5	54%	0.535	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9	-175	-72.1	168.7	-176.1	154.2	0	113.7	D750 D752	D750-K754 PolarHBondContact OD1-N 3.21Å; D750-K754 VanDerWaalsContact OD1-N 3.1Å; D750-K754 PolarHBondContact OD2-N 3.31Å; D752-K754 VanDerWaalsContact C-N 3.3Å; D752-K754 HydrophobicContact CB-CB 4.5Å; D752-K754 HydrophobicContact CB-CD 3.52Å; D752-K754 VanDerWaalsContact CB-CE 3.44Å; D752-K754 HydrophobicContact CB-CG 3.73Å; D752-K754 PolarHBondContact O-N 3.19Å; D752-K754 IonicContact OD1-NZ 2.68Å; D752-K754 IonicContact OD2-NZ 3.58Å; D752-K754 PolarHBondContact OD2-NZ 2.88Å
755	F	95.4	Very high	95.4	Very high	40 Å²	40	54.9 Å²	54.9	18%	0.175	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	11	-174	-63.2	-79.8	0	0	0	116	D750 C757 L808 A809 K811 L812 R815	D750-F755 HydrophobicContact CB-CD2 3.94Å; D750-F755 WeakPolarHBondContact OD2-CB 3.47Å; D750-F755 PolarHBondContact OD2-N 2.88Å; F755-C757 PolarHBondContact O-N 2.96Å; F755-L808 HydrophobicContact CD1-CB 4.2Å; F755-L808 HydrophobicContact CD1-CD2 4.14Å; F755-L808 WeakPolarHBondContact CD1-O 3.44Å; F755-L808 HydrophobicContact CE1-CD2 4.25Å; F755-L808 CarbonylContact O-C 3.57Å; F755-A809 WeakPolarHBondContact O-CA 3.18Å; F755-A809 PolarHBondContact O-N 2.64Å; F755-A809 VanDerWaalsContact O-N 3.15Å; F755-K811 HydrophobicContact CD1-CB 4.42Å; F755-K811 HydrophobicContact CE1-CB 4.4Å; F755-K811 HydrophobicContact CE1-CD 4.16Å; F755-K811 HydrophobicContact CE1-CG 4.14Å; F755-L812 HydrophobicContact CB-CB 3.65Å; F755-L812 HydrophobicContact CB-CD2 3.97Å; F755-L812 HydrophobicContact CB-CG 4.25Å; F755-L812 HydrophobicContact CD1-CB 4.39Å; F755-L812 HydrophobicContact CD2-CD1 4.26Å; F755-L812 HydrophobicContact CG-CB 4Å; F755-L812 HydrophobicContact CG-CD1 4.47Å; F755-R815 VanDerWaalsContact CE2-NH2 3.34Å
756	H	96.4	Very high	95.3	Very high	28 Å²	28	52.6 Å²	52.6	13%	0.13	26%	0.258	C	S	.	.			trans	60.9	33.6	164.4	-60.1	-89.3	0	0	0	116.6	Q805 L837 K838 L839	H756-Q805 HydrophobicContact CB-CB 4.39Å; H756-Q805 VanDerWaalsContact CE1-CG 3.48Å; H756-Q805 WeakPolarHBondContact CE1-CG 3.44Å; H756-Q805 PolarHBondContact CE1-OE1 3.12Å; H756-Q805 PolarHBondContact ND1-OE1 2.85Å; H756-Q805 VanDerWaalsContact ND1-OE1 3.11Å; H756-L837 HydrophobicContact CB-CD1 4.32Å; H756-L837 PolarHBondContact ND1-O 3.49Å; H756-L837 VanDerWaalsContact ND1-O 3.09Å; H756-K838 WeakPolarHBondContact O-CA 3.3Å; H756-L839 PolarHBondContact O-N 2.61Å
757	C	96.8	Very high	95	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.027	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-99.1	149.3	165.8	-70.5	0	0	0	0	110.7	F755 R759 L812 F842	F755-C757 PolarHBondContact O-N 2.96Å; C757-R759 PolarHBondContact O-N 3.47Å; C757-L812 HydrophobicContact CB-CD2 4.12Å; C757-F842 HydrophobicContact CB-CZ 4.32Å
758	L	95.8	Very high	94.7	Very high	12 Å²	12	61 Å²	61	6%	0.063	30%	0.296	C	S	.	.			trans	-59.9	130	-177.8	-178.3	69.6	0	0	0	112.4	L743 L760 F774 E775 L777 L839 C840	L743-L758 WeakPolarHBondContact CD2-O 3.37Å; L758-L760 PolarHBondContact O-N 2.88Å; L758-F774 HydrophobicContact CD1-CB 4.44Å; L758-F774 HydrophobicContact CD1-CD1 4.43Å; L758-F774 HydrophobicContact CD2-CB 4.37Å; L758-F774 HydrophobicContact CD2-CD1 3.39Å; L758-F774 HydrophobicContact CD2-CD2 4.34Å; L758-F774 HydrophobicContact CD2-CE1 3.55Å; L758-F774 HydrophobicContact CD2-CE2 4.47Å; L758-F774 HydrophobicContact CD2-CG 3.81Å; L758-F774 HydrophobicContact CD2-CZ 4.1Å; L758-F774 HydrophobicContact CG-CB 4.48Å; L758-F774 HydrophobicContact CG-CD1 3.62Å; L758-F774 HydrophobicContact CG-CE1 4.05Å; L758-F774 HydrophobicContact CG-CG 4.24Å; L758-E775 HydrophobicContact CD1-CG 3.72Å; L758-L777 HydrophobicContact CD1-CD1 3.55Å; L758-L839 WeakPolarHBondContact CB-O 3.27Å; L758-L839 PolarHBondContact N-O 3Å; L758-C840 HydrophobicContact CB-CB 3.99Å; L758-C840 HydrophobicContact CD2-CB 3.71Å; L758-C840 HydrophobicContact CG-CB 4.34Å
759	R	95.4	Very high	94.6	Very high	34 Å²	34	55.1 Å²	55.1	13%	0.128	26%	0.264	C	S	.	.			trans	-83.6	107.1	179.9	-61.5	-49.6	-156.1	144.6	20.1	113	N747 D750 D753 C757 F761 F774 E775	N747-R759 WeakPolarHBondContact OD1-CD 3.31Å; N747-R759 PolarHBondContact OD1-NH1 3.39Å; D750-R759 PolarHBondContact O-NH1 2.94Å; D750-R759 PolarHBondContact O-NH2 2.94Å; D753-R759 IonicContact OD1-CZ 3.36Å; D753-R759 IonicContact OD1-NE 2.65Å; D753-R759 PolarHBondContact OD1-NE 3.04Å; D753-R759 IonicContact OD1-NH2 2.71Å; C757-R759 PolarHBondContact O-N 3.47Å; R759-F761 HydrophobicContact CB-CE1 4.3Å; R759-F774 WeakPolarHBondContact O-CA 3.17Å; R759-E775 HydrophobicContact CB-CB 4.23Å; R759-E775 HydrophobicContact CB-CG 4.04Å; R759-E775 WeakPolarHBondContact CB-OE1 3.25Å; R759-E775 WeakPolarHBondContact CG-OE1 3.46Å; R759-E775 PolarHBondContact N-OE1 2.8Å; R759-E775 PolarHBondContact O-N 3.45Å; R759-E775 VanDerWaalsContact O-N 3.08Å
760	L	96.4	Very high	94.6	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.7	160.8	-177.2	73.8	0	0	0	109.5	L743 R744 N747 L758 R762 L772 V773 F774	L743-L760 HydrophobicContact CB-CB 3.97Å; L743-L760 HydrophobicContact CB-CD2 3.94Å; L743-L760 HydrophobicContact CD1-CB 4.37Å; L743-L760 HydrophobicContact CD1-CD1 4.44Å; L743-L760 HydrophobicContact CD2-CB 4.49Å; R744-L760 HydrophobicContact CG-CD2 4.23Å; N747-L760 PolarHBondContact ND2-O 3.2Å; L758-L760 PolarHBondContact O-N 2.88Å; L760-R762 WeakPolarHBondContact CD1-O 3.47Å; L760-L772 HydrophobicContact CD1-CB 3.88Å; L760-L772 HydrophobicContact CD1-CD2 4.32Å; L760-V773 CarbonylContact C-O 3.55Å; L760-F774 HydrophobicContact CB-CD1 4.24Å; L760-F774 HydrophobicContact CB-CE1 4.02Å; L760-F774 HydrophobicContact CD1-CD1 4.21Å; L760-F774 HydrophobicContact CD1-CE1 3.8Å; L760-F774 HydrophobicContact CD1-CZ 4.06Å
761	F	94.8	Very high	94.6	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.434	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-44.5	172.5	-66.4	-23.9	0	0	0	111.9	V721 R759 V773 E775	V721-F761 HydrophobicContact CG1-CD2 4.04Å; V721-F761 HydrophobicContact CG1-CE2 4.06Å; R759-F761 HydrophobicContact CB-CE1 4.3Å; F761-V773 HydrophobicContact CB-CG1 4.48Å; F761-V773 HydrophobicContact CD2-CG1 4.48Å; F761-V773 PolarHBondContact N-O 3.49Å; F761-E775 HydrophobicContact CE1-CB 4.15Å; F761-E775 HydrophobicContact CE2-CB 4.4Å; F761-E775 HydrophobicContact CZ-CB 3.75Å
762	R	94.9	Very high	94.7	Very high	73 Å²	73	48.7 Å²	48.7	28%	0.275	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-179.4	174.1	57	-176.5	-75.2	-97.9	4.2	111.5	D691 R693 Y694 L760 V773	D691-R762 IonicContact OD1-NH2 2.82Å; D691-R762 IonicContact OD2-CZ 2.76Å; D691-R762 IonicContact OD2-NH1 2.83Å; D691-R762 PolarHBondContact OD2-NH1 3.25Å; D691-R762 IonicContact OD2-NH2 2.83Å; D691-R762 PolarHBondContact OD2-NH2 3.15Å; R693-R762 VanDerWaalsContact NH1-NH1 3.13Å; Y694-R762 WeakPolarHBondContact OH-CD 3.46Å; Y694-R762 PolarHBondContact OH-NH1 3.28Å; L760-R762 WeakPolarHBondContact CD1-O 3.47Å; R762-V773 HydrophobicContact CG-CB 4.24Å; R762-V773 HydrophobicContact CG-CG2 4.27Å; R762-V773 PolarHBondContact N-O 2.91Å; R762-V773 WeakPolarHBondContact O-CB 3.36Å; R762-V773 PolarHBondContact O-N 2.89Å
763	H	96.2	Very high	94.8	Very high	66 Å²	66	43.5 Å²	43.5	31%	0.306	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.6	169.6	71.7	-29.6	0	0	0	110.7	L740 R744 L770 C771 L772	L740-H763 HydrophobicContact CD1-CB 3.8Å; L740-H763 WeakPolarHBondContact CD1-CD2 3.37Å; R744-H763 PolarHBondContact NH2-CE1 3.06Å; R744-H763 PolarHBondContact NH2-NE2 3.49Å; H763-L770 HydrophobicContact CB-CD1 4.36Å; H763-C771 CarbonylContact C-O 3.42Å; H763-C771 WeakPolarHBondContact CA-O 3.5Å; H763-L772 HydrophobicContact CB-CD2 3.84Å
764	F	95.9	Very high	94.9	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	176.2	165.6	61.5	-88.5	0	0	0	109.4	L690 D691 Y694 V723 H766 C771 V773	L690-F764 HydrophobicContact CB-CE2 3.96Å; L690-F764 HydrophobicContact CB-CZ 3.82Å; L690-F764 HydrophobicContact CD1-CZ 4.4Å; D691-F764 HydrophobicContact CB-CB 4.44Å; D691-F764 HydrophobicContact CB-CD1 4.09Å; D691-F764 HydrophobicContact CB-CD2 3.72Å; D691-F764 HydrophobicContact CB-CE1 4.22Å; D691-F764 HydrophobicContact CB-CE2 3.87Å; D691-F764 HydrophobicContact CB-CG 3.84Å; D691-F764 HydrophobicContact CB-CZ 4.11Å; Y694-F764 HydrophobicContact CD2-CD1 4.28Å; Y694-F764 AromaticContact CD2-CE1 3.49Å; Y694-F764 HydrophobicContact CD2-CE1 3.49Å; Y694-F764 VanDerWaalsContact CD2-CE1 3.49Å; Y694-F764 AromaticContact CD2-CZ 3.85Å; Y694-F764 HydrophobicContact CD2-CZ 3.85Å; Y694-F764 AromaticContact CE2-CD1 3.81Å; Y694-F764 HydrophobicContact CE2-CD1 3.81Å; Y694-F764 AromaticContact CE2-CE1 3.39Å; Y694-F764 HydrophobicContact CE2-CE1 3.39Å; Y694-F764 HydrophobicContact CE2-CZ 4.21Å; V723-F764 HydrophobicContact CG1-CE1 4.32Å; V723-F764 HydrophobicContact CG1-CZ 4.15Å; F764-H766 HydrophobicContact CD2-CB 4.24Å; F764-H766 HydrophobicContact CE2-CB 3.92Å; F764-C771 HydrophobicContact CD1-CB 3.99Å; F764-C771 HydrophobicContact CD2-CB 3.71Å; F764-C771 HydrophobicContact CE1-CB 3.71Å; F764-C771 HydrophobicContact CE2-CB 3.4Å; F764-C771 VanDerWaalsContact CE2-CB 3.4Å; F764-C771 VanDerWaalsContact CE2-SG 3.57Å; F764-C771 HydrophobicContact CG-CB 4Å; F764-C771 HydrophobicContact CZ-CB 3.41Å; F764-C771 VanDerWaalsContact CZ-CB 3.41Å; F764-C771 PolarHBondContact N-O 3.38Å; F764-C771 PolarHBondContact O-N 2.95Å; F764-V773 HydrophobicContact CD1-CG2 3.82Å; F764-V773 HydrophobicContact CE1-CG2 3.49Å; F764-V773 VanDerWaalsContact CE1-CG2 3.49Å
765	Y	94.7	Very high	94.9	Very high	116 Å²	116	36.6 Å²	36.6	46%	0.455	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.8	170.2	-77.4	-94.7	0	0	0	110.1	H769 L770	Y765-H769 VanDerWaalsContact CA-O 3.29Å; Y765-H769 WeakPolarHBondContact CA-O 3.38Å; Y765-L770 HydrophobicContact CD1-CB 4.36Å; Y765-L770 HydrophobicContact CE1-CB 3.92Å; Y765-L770 HydrophobicContact CE1-CD1 4.26Å; Y765-L770 HydrophobicContact CE2-CD1 4.04Å
766	H	92.4	Very high	94.8	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.148	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.8	175.7	-173.3	79.1	0	0	0	109.4	Y682 E688 L690 F764 Q768 H769	Y682-H766 AromaticContact CZ-CD2 3.81Å; Y682-H766 AromaticContact CZ-NE2 3.91Å; Y682-H766 PolarHBondContact OH-NE2 3.15Å; E688-H766 IonicContact OE1-CE1 2.76Å; E688-H766 PolarHBondContact OE1-CE1 3.39Å; E688-H766 IonicContact OE1-NE2 3.5Å; E688-H766 PolarHBondContact OE1-NE2 2.87Å; L690-H766 VanDerWaalsContact CD2-NE2 3.3Å; L690-H766 WeakPolarHBondContact CD2-NE2 3.44Å; F764-H766 HydrophobicContact CD2-CB 4.24Å; F764-H766 HydrophobicContact CE2-CB 3.92Å; H766-Q768 VanDerWaalsContact C-N 3.29Å; H766-Q768 PolarHBondContact O-N 3.14Å; H766-H769 PolarHBondContact N-O 3.19Å; H766-H769 WeakPolarHBondContact O-CB 3.42Å; H766-H769 PolarHBondContact O-N 2.57Å
767	K	89.9	Confident	94.7	Very high	64 Å²	64	37.8 Å²	37.8	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.5	177.9	-61.7	167.6	-179.7	170.3	0	112.4	W675 Y682 E688 H769	W675-K767 HydrophobicContact CB-CD 4.23Å; W675-K767 HydrophobicContact CD2-CD 3.79Å; W675-K767 HydrophobicContact CE3-CD 4.05Å; W675-K767 HydrophobicContact CG-CD 3.85Å; W675-K767 VanDerWaalsContact CH2-NZ 3.32Å; Y682-K767 HydrophobicContact CE2-CB 4.25Å; Y682-K767 HydrophobicContact CE2-CD 3.53Å; Y682-K767 HydrophobicContact CE2-CG 4.49Å; Y682-K767 WeakPolarHBondContact OH-CD 3.36Å; Y682-K767 PolarHBondContact OH-NZ 3.04Å; E688-K767 IonicContact OE1-NZ 3.73Å; E688-K767 PolarHBondContact OE1-NZ 3.43Å; K767-H769 PolarHBondContact O-CD2 2.84Å; K767-H769 PolarHBondContact O-N 2.75Å
768	Q	90.4	Very high	94.5	Very high	141 Å²	141	39 Å²	39	66%	0.659	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-11.9	-173.6	-56.7	179.5	-6.9	0	0	117.2	N728 H766	N728-Q768 PolarHBondContact ND2-OE1 2.86Å; H766-Q768 VanDerWaalsContact C-N 3.29Å; H766-Q768 PolarHBondContact O-N 3.14Å
769	H	93.4	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.4	175.2	-61.7	-92.1	0	0	0	112.2	G680 Y682 I725 I726 N728 Y765 H766 K767	G680-H769 PolarHBondContact O-CE1 3.35Å; Y682-H769 WeakPolarHBondContact CB-NE2 3.48Å; Y682-H769 AromaticContact CD2-CD2 3.61Å; Y682-H769 AromaticContact CD2-NE2 3.64Å; Y682-H769 AromaticContact CG-CD2 3.88Å; Y682-H769 AromaticContact CG-NE2 3.97Å; Y682-H769 PolarHBondContact N-CE1 2.78Å; I725-H769 HydrophobicContact CG2-CB 3.56Å; I726-H769 PolarHBondContact O-ND1 3.05Å; N728-H769 VanDerWaalsContact CB-CE1 3.48Å; N728-H769 WeakPolarHBondContact CB-CE1 3.29Å; N728-H769 PolarHBondContact N-CE1 3.11Å; N728-H769 PolarHBondContact N-ND1 2.8Å; Y765-H769 VanDerWaalsContact CA-O 3.29Å; Y765-H769 WeakPolarHBondContact CA-O 3.38Å; H766-H769 PolarHBondContact N-O 3.19Å; H766-H769 WeakPolarHBondContact O-CB 3.42Å; H766-H769 PolarHBondContact O-N 2.57Å; K767-H769 PolarHBondContact O-CD2 2.84Å; K767-H769 PolarHBondContact O-N 2.75Å
770	L	94.9	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.2	165.6	173.8	61.2	0	0	0	109.1	I726 L737 H763 Y765 L772	I726-L770 HydrophobicContact CB-CB 4.27Å; I726-L770 HydrophobicContact CG1-CB 4.22Å; I726-L770 HydrophobicContact CG1-CD2 4.37Å; I726-L770 HydrophobicContact CG1-CG 4.28Å; I726-L770 WeakPolarHBondContact CG1-O 3.4Å; I726-L770 PolarHBondContact N-O 2.92Å; L737-L770 HydrophobicContact CD2-CD2 4.18Å; L737-L770 HydrophobicContact CG-CD2 4.26Å; H763-L770 HydrophobicContact CB-CD1 4.36Å; Y765-L770 HydrophobicContact CD1-CB 4.36Å; Y765-L770 HydrophobicContact CE1-CB 3.92Å; Y765-L770 HydrophobicContact CE1-CD1 4.26Å; Y765-L770 HydrophobicContact CE2-CD1 4.04Å; L770-L772 HydrophobicContact CD1-CD2 4.09Å; L770-L772 HydrophobicContact CD2-CD2 4.34Å; L770-L772 HydrophobicContact CG-CD2 4.1Å
771	C	95.9	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.1	179.1	-58.7	0	0	0	0	110.4	V723 K724 H763 F764	V723-C771 HydrophobicContact CG1-CB 4.11Å; K724-C771 WeakPolarHBondContact O-CA 3.49Å; H763-C771 CarbonylContact C-O 3.42Å; H763-C771 WeakPolarHBondContact CA-O 3.5Å; F764-C771 HydrophobicContact CD1-CB 3.99Å; F764-C771 HydrophobicContact CD2-CB 3.71Å; F764-C771 HydrophobicContact CE1-CB 3.71Å; F764-C771 HydrophobicContact CE2-CB 3.4Å; F764-C771 VanDerWaalsContact CE2-CB 3.4Å; F764-C771 VanDerWaalsContact CE2-SG 3.57Å; F764-C771 HydrophobicContact CG-CB 4Å; F764-C771 HydrophobicContact CZ-CB 3.41Å; F764-C771 VanDerWaalsContact CZ-CB 3.41Å; F764-C771 PolarHBondContact N-O 3.38Å; F764-C771 PolarHBondContact O-N 2.95Å
772	L	95.9	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	176.2	-54.7	-176.7	0	0	0	109.8	V723 K724 E739 L740 L743 L760 H763 L770 F774	V723-L772 CarbonylContact C-O 3.53Å; V723-L772 WeakPolarHBondContact CA-O 3.3Å; K724-L772 HydrophobicContact CB-CB 4.38Å; K724-L772 PolarHBondContact N-O 2.89Å; K724-L772 PolarHBondContact O-N 3.5Å; E739-L772 HydrophobicContact CG-CD1 4Å; L740-L772 HydrophobicContact CB-CD2 4.07Å; L740-L772 HydrophobicContact CD1-CD2 3.95Å; L740-L772 HydrophobicContact CG-CD2 4.45Å; L743-L772 HydrophobicContact CD1-CD1 4.43Å; L760-L772 HydrophobicContact CD1-CB 3.88Å; L760-L772 HydrophobicContact CD1-CD2 4.32Å; H763-L772 HydrophobicContact CB-CD2 3.84Å; L770-L772 HydrophobicContact CD1-CD2 4.09Å; L770-L772 HydrophobicContact CD2-CD2 4.34Å; L770-L772 HydrophobicContact CG-CD2 4.1Å; L772-F774 HydrophobicContact CB-CD2 4.36Å; L772-F774 HydrophobicContact CB-CE2 3.53Å; L772-F774 HydrophobicContact CB-CZ 3.79Å; L772-F774 HydrophobicContact CD1-CE2 4.44Å; L772-F774 HydrophobicContact CD1-CZ 4.1Å
773	V	96.2	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.9	-175.5	-172.8	0	0	0	0	109.9	Y694 V721 V723 L760 F761 R762 F764	Y694-V773 HydrophobicContact CE1-CG1 4.03Å; Y694-V773 HydrophobicContact CE2-CG2 3.83Å; V721-V773 HydrophobicContact CB-CG1 3.88Å; V721-V773 HydrophobicContact CG1-CG1 4.12Å; V721-V773 HydrophobicContact CG2-CG1 4.02Å; V723-V773 HydrophobicContact CG2-CG2 4.45Å; L760-V773 CarbonylContact C-O 3.55Å; F761-V773 HydrophobicContact CB-CG1 4.48Å; F761-V773 HydrophobicContact CD2-CG1 4.48Å; F761-V773 PolarHBondContact N-O 3.49Å; R762-V773 HydrophobicContact CG-CB 4.24Å; R762-V773 HydrophobicContact CG-CG2 4.27Å; R762-V773 PolarHBondContact N-O 2.91Å; R762-V773 WeakPolarHBondContact O-CB 3.36Å; R762-V773 PolarHBondContact O-N 2.89Å; F764-V773 HydrophobicContact CD1-CG2 3.82Å; F764-V773 HydrophobicContact CE1-CG2 3.49Å; F764-V773 VanDerWaalsContact CE1-CG2 3.49Å
774	F	96.1	Very high	93.8	Very high	9 Å²	9	33.2 Å²	33.2	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	162	-170	-65.3	-74.4	0	0	0	113.3	A722 K724 L743 L758 R759 L760 L772	A722-F774 HydrophobicContact CB-CB 4.3Å; A722-F774 PolarHBondContact N-O 3.06Å; A722-F774 VanDerWaalsContact N-O 3.13Å; A722-F774 PolarHBondContact O-N 2.99Å; K724-F774 HydrophobicContact CB-CD2 4.28Å; K724-F774 HydrophobicContact CB-CE2 3.74Å; K724-F774 HydrophobicContact CD-CE2 4.26Å; L743-F774 HydrophobicContact CD1-CE1 3.51Å; L743-F774 HydrophobicContact CD1-CZ 3.61Å; L743-F774 HydrophobicContact CD2-CE1 4.01Å; L743-F774 HydrophobicContact CG-CE1 4.4Å; L758-F774 HydrophobicContact CD1-CB 4.44Å; L758-F774 HydrophobicContact CD1-CD1 4.43Å; L758-F774 HydrophobicContact CD2-CB 4.37Å; L758-F774 HydrophobicContact CD2-CD1 3.39Å; L758-F774 HydrophobicContact CD2-CD2 4.34Å; L758-F774 HydrophobicContact CD2-CE1 3.55Å; L758-F774 HydrophobicContact CD2-CE2 4.47Å; L758-F774 HydrophobicContact CD2-CG 3.81Å; L758-F774 HydrophobicContact CD2-CZ 4.1Å; L758-F774 HydrophobicContact CG-CB 4.48Å; L758-F774 HydrophobicContact CG-CD1 3.62Å; L758-F774 HydrophobicContact CG-CE1 4.05Å; L758-F774 HydrophobicContact CG-CG 4.24Å; R759-F774 WeakPolarHBondContact O-CA 3.17Å; L760-F774 HydrophobicContact CB-CD1 4.24Å; L760-F774 HydrophobicContact CB-CE1 4.02Å; L760-F774 HydrophobicContact CD1-CD1 4.21Å; L760-F774 HydrophobicContact CD1-CE1 3.8Å; L760-F774 HydrophobicContact CD1-CZ 4.06Å; L772-F774 HydrophobicContact CB-CD2 4.36Å; L772-F774 HydrophobicContact CB-CE2 3.53Å; L772-F774 HydrophobicContact CB-CZ 3.79Å; L772-F774 HydrophobicContact CD1-CE2 4.44Å; L772-F774 HydrophobicContact CD1-CZ 4.1Å
775	E	95	Very high	93.6	Very high	27 Å²	27	33.3 Å²	33.3	13%	0.126	16%	0.16	C	C	.	.			trans	-53.2	141.8	164.7	64.2	-177.4	140.8	0	0	112.1	L758 R759 F761 L777 K838	L758-E775 HydrophobicContact CD1-CG 3.72Å; R759-E775 HydrophobicContact CB-CB 4.23Å; R759-E775 HydrophobicContact CB-CG 4.04Å; R759-E775 WeakPolarHBondContact CB-OE1 3.25Å; R759-E775 WeakPolarHBondContact CG-OE1 3.46Å; R759-E775 PolarHBondContact N-OE1 2.8Å; R759-E775 PolarHBondContact O-N 3.45Å; R759-E775 VanDerWaalsContact O-N 3.08Å; F761-E775 HydrophobicContact CE1-CB 4.15Å; F761-E775 HydrophobicContact CE2-CB 4.4Å; F761-E775 HydrophobicContact CZ-CB 3.75Å; E775-L777 HydrophobicContact CG-CD1 4.29Å; E775-L777 HydrophobicContact CG-CG 4.21Å; E775-L777 PolarHBondContact O-N 2.97Å; E775-K838 WeakPolarHBondContact OE1-CG 3.33Å; E775-K838 IonicContact OE1-NZ 2.69Å; E775-K838 PolarHBondContact OE1-NZ 2.7Å; E775-K838 IonicContact OE2-NZ 3.37Å; E775-K838 PolarHBondContact OE2-NZ 2.68Å
776	P	93.9	Very high	93.5	Very high	63 Å²	63	35.4 Å²	35.4	41%	0.409	17%	0.171	S	C	.	.			trans	-74.2	125.7	177.6	31.6	-35.7	0	0	0	110.6	E720	E720-P776 HydrophobicContact CB-CB 4.13Å; E720-P776 HydrophobicContact CB-CG 4.41Å; E720-P776 WeakPolarHBondContact O-CD 3.34Å; E720-P776 WeakPolarHBondContact O-CG 3.3Å
777	L	94	Very high	93.5	Very high	30 Å²	30	39.8 Å²	39.8	16%	0.157	19%	0.19	C	C	.	.			trans	-127.3	156.6	175.2	-64	173.3	0	0	0	110.5	L758 E775 L829 K838	L758-L777 HydrophobicContact CD1-CD1 3.55Å; E775-L777 HydrophobicContact CG-CD1 4.29Å; E775-L777 HydrophobicContact CG-CG 4.21Å; E775-L777 PolarHBondContact O-N 2.97Å; L777-L829 HydrophobicContact CB-CB 4.02Å; L777-L829 HydrophobicContact CB-CD1 4.34Å; L777-L829 HydrophobicContact CD1-CB 3.53Å; L777-L829 HydrophobicContact CD1-CD1 3.9Å; L777-L829 HydrophobicContact CD1-CG 4.36Å; L777-L829 HydrophobicContact CG-CB 4.4Å; L777-K838 HydrophobicContact CD1-CB 3.75Å; L777-K838 HydrophobicContact CD1-CG 3.84Å; L777-K838 HydrophobicContact CD2-CG 4.3Å
778	S	91.3	Very high	93.4	Very high	30 Å²	30	42.2 Å²	42.2	21%	0.21	20%	0.198	C	C	.	.			trans	-83.8	-52.9	-162.6	-172.5	0	0	0	0	113.2	R710 V830	R710-S778 PolarHBondContact NH2-O 3.05Å; R710-S778 VanDerWaalsContact NH2-O 3.08Å; S778-V830 WeakPolarHBondContact CB-O 3.07Å; S778-V830 PolarHBondContact N-O 3.33Å
779	M	91.5	Very high	93.3	Very high	26 Å²	26	36.8 Å²	36.8	13%	0.128	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	164.5	-176	58.1	-167.3	74.9	0	0	110.8	E783 V784 K787 L829 V830	M779-E783 HydrophobicContact CB-CB 4.21Å; M779-E783 WeakPolarHBondContact CB-OE2 3.3Å; M779-V784 HydrophobicContact CG-CG2 3.84Å; M779-V784 HydrophobicContact SD-CG2 3.91Å; M779-K787 HydrophobicContact SD-CD 3.92Å; M779-K787 PolarHBondContact SD-NZ 3.34Å; M779-L829 WeakPolarHBondContact O-CA 3.32Å; M779-V830 HydrophobicContact CG-CG2 3.99Å; M779-V830 WeakPolarHBondContact O-CG2 3.49Å; M779-V830 PolarHBondContact O-N 2.91Å
780	N	94.1	Very high	92.9	Very high	34 Å²	34	45.9 Å²	45.9	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	163	172.7	54	60.4	0	0	0	112.2	R782 E783 V784 D826 I828 L829	N780-R782 PolarHBondContact O-N 3.35Å; N780-R782 WeakPolarHBondContact OD1-CB 3.27Å; N780-R782 PolarHBondContact OD1-N 3.34Å; N780-E783 PolarHBondContact ND2-OE1 3.13Å; N780-E783 PolarHBondContact O-N 3.22Å; N780-E783 WeakPolarHBondContact OD1-CB 3.45Å; N780-E783 WeakPolarHBondContact OD1-CG 3.37Å; N780-E783 PolarHBondContact OD1-N 2.88Å; N780-V784 WeakPolarHBondContact O-CG2 3.34Å; N780-V784 PolarHBondContact O-N 3.45Å; N780-V784 VanDerWaalsContact O-N 3.13Å; N780-D826 VanDerWaalsContact CB-O 3.31Å; N780-D826 WeakPolarHBondContact CB-O 3.49Å; N780-I828 CarbonylContact C-O 3.6Å; N780-I828 VanDerWaalsContact CA-O 3.31Å; N780-I828 WeakPolarHBondContact CA-O 3.35Å; N780-L829 HydrophobicContact CB-CD2 4.06Å
781	L	94.4	Very high	92.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-22.7	178.6	-70	179.4	0	0	0	113.3	V784 L785 Y802 P825 I828 V830 L837 L889	L781-V784 HydrophobicContact CD2-CB 4.44Å; L781-V784 HydrophobicContact CD2-CG2 4.31Å; L781-V784 PolarHBondContact O-N 3.12Å; L781-L785 WeakPolarHBondContact O-CG 3.08Å; L781-L785 PolarHBondContact O-N 2.98Å; L781-Y802 HydrophobicContact CD1-CD2 4.3Å; L781-Y802 HydrophobicContact CD1-CE2 4.48Å; L781-Y802 HydrophobicContact CD2-CD2 4.14Å; L781-Y802 HydrophobicContact CD2-CE2 3.51Å; L781-P825 WeakPolarHBondContact CA-O 3.36Å; L781-P825 HydrophobicContact CB-CB 4.1Å; L781-P825 WeakPolarHBondContact CB-O 3.48Å; L781-P825 PolarHBondContact N-O 3.11Å; L781-I828 HydrophobicContact CD1-CB 3.84Å; L781-I828 HydrophobicContact CD1-CD1 4.31Å; L781-I828 HydrophobicContact CD1-CG2 3.42Å; L781-I828 VanDerWaalsContact CD1-CG2 3.42Å; L781-I828 HydrophobicContact CG-CB 4.21Å; L781-I828 HydrophobicContact CG-CG2 3.97Å; L781-I828 PolarHBondContact N-O 3.14Å; L781-V830 HydrophobicContact CD2-CG1 3.5Å; L781-V830 VanDerWaalsContact CD2-CG1 3.5Å; L781-V830 HydrophobicContact CG-CG1 4.18Å; L781-L837 HydrophobicContact CD1-CD2 4.48Å; L781-L889 HydrophobicContact CB-CD2 3.98Å; L781-L889 HydrophobicContact CD1-CD1 4Å; L781-L889 HydrophobicContact CD1-CD2 3.78Å; L781-L889 HydrophobicContact CD2-CD2 4.33Å; L781-L889 HydrophobicContact CG-CD2 4.26Å
782	R	93.6	Very high	92.2	Very high	52 Å²	52	53.1 Å²	53.1	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-49.2	170.3	177.2	70.8	62.2	-150.9	-8.9	111.5	N780 L785 K786 P825 D826 Y862 E888	N780-R782 PolarHBondContact O-N 3.35Å; N780-R782 WeakPolarHBondContact OD1-CB 3.27Å; N780-R782 PolarHBondContact OD1-N 3.34Å; R782-L785 PolarHBondContact O-N 2.75Å; R782-K786 WeakPolarHBondContact O-CG 3.41Å; R782-K786 PolarHBondContact O-N 3.49Å; R782-P825 HydrophobicContact CB-CB 4.35Å; R782-P825 PolarHBondContact N-O 2.96Å; R782-P825 VanDerWaalsContact N-O 3.12Å; R782-D826 HydrophobicContact CB-CB 4.45Å; R782-D826 VanDerWaalsContact CB-OD1 3.27Å; R782-D826 WeakPolarHBondContact CB-OD1 3.3Å; R782-D826 WeakPolarHBondContact CG-OD1 3.09Å; R782-D826 IonicContact CZ-OD1 2.82Å; R782-D826 IonicContact CZ-OD2 3.95Å; R782-D826 IonicContact NE-OD1 3.09Å; R782-D826 PolarHBondContact NE-OD1 2.84Å; R782-D826 IonicContact NE-OD2 3.37Å; R782-D826 PolarHBondContact NE-OD2 2.86Å; R782-D826 IonicContact NH2-OD1 2.65Å; R782-D826 IonicContact NH2-OD2 2.73Å; R782-D826 PolarHBondContact NH2-OD2 2.65Å; R782-Y862 PolarHBondContact NH2-OH 2.9Å; R782-E888 IonicContact CZ-OE1 3.14Å; R782-E888 IonicContact NH1-OE1 2.68Å; R782-E888 PolarHBondContact NH1-OE1 3.09Å; R782-E888 IonicContact NH2-OE1 2.7Å
783	E	92.5	Very high	92	Very high	60 Å²	60	53.3 Å²	53.3	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175	-78.9	176	-112.2	0	0	112.3	M779 N780 L785 K786 K787	M779-E783 HydrophobicContact CB-CB 4.21Å; M779-E783 WeakPolarHBondContact CB-OE2 3.3Å; N780-E783 PolarHBondContact ND2-OE1 3.13Å; N780-E783 PolarHBondContact O-N 3.22Å; N780-E783 WeakPolarHBondContact OD1-CB 3.45Å; N780-E783 WeakPolarHBondContact OD1-CG 3.37Å; N780-E783 PolarHBondContact OD1-N 2.88Å; E783-L785 VanDerWaalsContact C-N 3.33Å; E783-L785 PolarHBondContact O-N 2.77Å; E783-K786 PolarHBondContact O-N 3.33Å; E783-K787 WeakPolarHBondContact O-CB 3.42Å; E783-K787 WeakPolarHBondContact O-CD 3.12Å; E783-K787 VanDerWaalsContact O-CG 3.25Å; E783-K787 WeakPolarHBondContact O-CG 3.46Å; E783-K787 PolarHBondContact O-N 2.8Å; E783-K787 IonicContact OE2-NZ 3.98Å; E783-K787 PolarHBondContact OE2-NZ 2.93Å
784	V	92.9	Very high	91.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-49.1	174.4	-178.8	0	0	0	0	109.4	M779 N780 L781 K786 K787 Y788 L794 V830	M779-V784 HydrophobicContact CG-CG2 3.84Å; M779-V784 HydrophobicContact SD-CG2 3.91Å; N780-V784 WeakPolarHBondContact O-CG2 3.34Å; N780-V784 PolarHBondContact O-N 3.45Å; N780-V784 VanDerWaalsContact O-N 3.13Å; L781-V784 HydrophobicContact CD2-CB 4.44Å; L781-V784 HydrophobicContact CD2-CG2 4.31Å; L781-V784 PolarHBondContact O-N 3.12Å; V784-K786 PolarHBondContact O-N 3.27Å; V784-K787 CarbonylContact O-C 3.5Å; V784-K787 PolarHBondContact O-N 2.75Å; V784-K787 VanDerWaalsContact O-N 3.12Å; V784-Y788 HydrophobicContact CG1-CD2 3.91Å; V784-Y788 HydrophobicContact CG1-CE2 3.82Å; V784-Y788 WeakPolarHBondContact O-CD2 3.35Å; V784-Y788 PolarHBondContact O-N 3.41Å; V784-L794 HydrophobicContact CG1-CD2 3.91Å; V784-V830 HydrophobicContact CG2-CG2 3.86Å
785	L	93.5	Very high	91.8	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-45.5	176.6	-74.8	172.8	0	0	0	112.6	L781 R782 E783 K787 Y788 G789 L794 E888 L889	L781-L785 WeakPolarHBondContact O-CG 3.08Å; L781-L785 PolarHBondContact O-N 2.98Å; R782-L785 PolarHBondContact O-N 2.75Å; E783-L785 VanDerWaalsContact C-N 3.33Å; E783-L785 PolarHBondContact O-N 2.77Å; L785-K787 VanDerWaalsContact C-N 3.25Å; L785-K787 PolarHBondContact O-N 3.45Å; L785-Y788 PolarHBondContact O-N 2.89Å; L785-Y788 VanDerWaalsContact O-N 3.11Å; L785-G789 PolarHBondContact O-N 3.41Å; L785-L794 HydrophobicContact CD2-CD2 4.21Å; L785-L794 HydrophobicContact CD2-CG 3.98Å; L785-E888 HydrophobicContact CD1-CG 4.06Å; L785-L889 HydrophobicContact CD1-CD2 4.15Å; L785-L889 HydrophobicContact CG-CD2 4.37Å
786	K	92.3	Very high	91.7	Very high	159 Å²	159	56.4 Å²	56.4	69%	0.691	28%	0.277	S	S	*	.	H	α-helix	trans	-54.7	-41.6	173.1	-74.4	-177.5	176.1	-174.2	0	111.7	R782 E783 V784 G789	R782-K786 WeakPolarHBondContact O-CG 3.41Å; R782-K786 PolarHBondContact O-N 3.49Å; E783-K786 PolarHBondContact O-N 3.33Å; V784-K786 PolarHBondContact O-N 3.27Å; K786-G789 PolarHBondContact O-N 2.98Å
787	K	91.1	Very high	91.7	Very high	124 Å²	124	57.7 Å²	57.7	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-74.4	-17.5	179.5	-71.1	160.3	-179.5	159.1	0	114.2	M779 E783 V784 L785	M779-K787 HydrophobicContact SD-CD 3.92Å; M779-K787 PolarHBondContact SD-NZ 3.34Å; E783-K787 WeakPolarHBondContact O-CB 3.42Å; E783-K787 WeakPolarHBondContact O-CD 3.12Å; E783-K787 VanDerWaalsContact O-CG 3.25Å; E783-K787 WeakPolarHBondContact O-CG 3.46Å; E783-K787 PolarHBondContact O-N 2.8Å; E783-K787 IonicContact OE2-NZ 3.98Å; E783-K787 PolarHBondContact OE2-NZ 2.93Å; V784-K787 CarbonylContact O-C 3.5Å; V784-K787 PolarHBondContact O-N 2.75Å; V784-K787 VanDerWaalsContact O-N 3.12Å; L785-K787 VanDerWaalsContact C-N 3.25Å; L785-K787 PolarHBondContact O-N 3.45Å
788	Y	89.1	Confident	91.7	Very high	115 Å²	115	57.7 Å²	57.7	45%	0.451	28%	0.28	S	S	.	.	H	α-helix	trans	-84.8	-20.3	169	-90	-97.4	0	0	0	113.1	V784 L785 V792 G793 L794	V784-Y788 HydrophobicContact CG1-CD2 3.91Å; V784-Y788 HydrophobicContact CG1-CE2 3.82Å; V784-Y788 WeakPolarHBondContact O-CD2 3.35Å; V784-Y788 PolarHBondContact O-N 3.41Å; L785-Y788 PolarHBondContact O-N 2.89Å; L785-Y788 VanDerWaalsContact O-N 3.11Å; Y788-V792 WeakPolarHBondContact O-CG2 3.32Å; Y788-G793 WeakPolarHBondContact CD1-O 3.16Å; Y788-L794 HydrophobicContact CD1-CD2 4.27Å; Y788-L794 HydrophobicContact CD2-CD2 3.4Å; Y788-L794 HydrophobicContact CE1-CD2 4.31Å; Y788-L794 HydrophobicContact CE2-CD2 3.44Å; Y788-L794 VanDerWaalsContact CE2-CD2 3.44Å; Y788-L794 HydrophobicContact CG-CD2 3.83Å
789	G	87.5	Confident	92	Very high	28 Å²	28	56.2 Å²	56.2	29%	0.289	27%	0.27	S	S	.	.			trans	104.3	157.2	178	0	0	0	0	0	113.8	L785 K786 D791 V792	L785-G789 PolarHBondContact O-N 3.41Å; K786-G789 PolarHBondContact O-N 2.98Å; G789-D791 PolarHBondContact O-N 3.37Å; G789-V792 PolarHBondContact O-N 3.2Å
790	K	85.6	Confident	92.2	Very high	190 Å²	190	57.4 Å²	57.4	83%	0.826	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.7	-179.7	-176.6	171.9	-177.8	174	0	110.7	V792	K790-V792 PolarHBondContact O-N 2.68Å; K790-V792 VanDerWaalsContact O-N 3.16Å
791	D	85.9	Confident	92.2	Very high	76 Å²	76	57.7 Å²	57.7	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	13.8	177.7	-61.1	7.3	0	0	0	115.6	G789 T891 K893	G789-D791 PolarHBondContact O-N 3.37Å; D791-T891 CarbonylContact C-O 3.51Å; D791-K893 VanDerWaalsContact CB-CE 3.48Å; D791-K893 VanDerWaalsContact OD1-CE 3.25Å; D791-K893 WeakPolarHBondContact OD1-CE 3.38Å; D791-K893 IonicContact OD1-NZ 3.43Å; D791-K893 WeakPolarHBondContact OD2-CE 3.49Å; D791-K893 IonicContact OD2-NZ 3.5Å; D791-K893 PolarHBondContact OD2-NZ 3Å
792	V	89.5	Confident	92.4	Very high	77 Å²	77	58 Å²	58	47%	0.467	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-46.5	-178.6	-179.1	0	0	0	0	112.6	Y788 G789 K790	Y788-V792 WeakPolarHBondContact O-CG2 3.32Å; G789-V792 PolarHBondContact O-N 3.2Å; K790-V792 PolarHBondContact O-N 2.68Å; K790-V792 VanDerWaalsContact O-N 3.16Å
793	G	92.1	Very high	92.5	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.031	27%	0.27	C	S	.	.			trans	69	-169.7	-175.2	0	0	0	0	0	114.6	Y788	Y788-G793 WeakPolarHBondContact CD1-O 3.16Å
794	L	94	Very high	92.8	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.272	C	S	.	.			trans	-105.9	148.6	-178.7	-54.2	-179.2	0	0	0	112	V784 L785 Y788 I796 V799 Y802 L889 Y890	V784-L794 HydrophobicContact CG1-CD2 3.91Å; L785-L794 HydrophobicContact CD2-CD2 4.21Å; L785-L794 HydrophobicContact CD2-CG 3.98Å; Y788-L794 HydrophobicContact CD1-CD2 4.27Å; Y788-L794 HydrophobicContact CD2-CD2 3.4Å; Y788-L794 HydrophobicContact CE1-CD2 4.31Å; Y788-L794 HydrophobicContact CE2-CD2 3.44Å; Y788-L794 VanDerWaalsContact CE2-CD2 3.44Å; Y788-L794 HydrophobicContact CG-CD2 3.83Å; L794-I796 PolarHBondContact O-N 3.33Å; L794-V799 HydrophobicContact CB-CG2 3.94Å; L794-Y802 HydrophobicContact CD1-CD2 4.04Å; L794-Y802 HydrophobicContact CD1-CE2 3.67Å; L794-L889 VanDerWaalsContact CB-O 3.22Å; L794-L889 WeakPolarHBondContact CB-O 3.39Å; L794-L889 HydrophobicContact CD1-CB 4.42Å; L794-L889 HydrophobicContact CD1-CD2 3.78Å; L794-L889 VanDerWaalsContact CG-O 3.29Å; L794-L889 WeakPolarHBondContact CG-O 3.44Å; L794-L889 PolarHBondContact N-O 2.7Å; L794-Y890 WeakPolarHBondContact O-CD2 3.36Å
795	H	93.6	Very high	93	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.435	28%	0.275	S	S	.	.			trans	-57.6	139.1	175.5	-172.8	-98.2	0	0	0	112	K797 A798 V799 Q976	H795-K797 WeakPolarHBondContact CE1-CD 3.22Å; H795-K797 VanDerWaalsContact CE1-CE 3.44Å; H795-K797 WeakPolarHBondContact CE1-CE 3.21Å; H795-K797 WeakPolarHBondContact CE1-CG 3.24Å; H795-K797 PolarHBondContact ND1-N 2.96Å; H795-K797 PolarHBondContact O-N 3.45Å; H795-A798 WeakPolarHBondContact O-CA 3.44Å; H795-A798 WeakPolarHBondContact O-CB 3.4Å; H795-A798 PolarHBondContact O-N 3.48Å; H795-V799 PolarHBondContact O-N 3Å; H795-Q976 PolarHBondContact NE2-NE2 3.22Å; H795-Q976 PolarHBondContact NE2-OE1 2.69Å
796	I	93.7	Very high	93.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-56.8	-26.9	-171.8	-163.5	63.9	0	0	0	114	L794 R800 Y890 Q976 K979 V980 L983 F1009	L794-I796 PolarHBondContact O-N 3.33Å; I796-R800 VanDerWaalsContact O-CB 3.32Å; I796-R800 WeakPolarHBondContact O-CB 3.47Å; I796-R800 PolarHBondContact O-N 2.89Å; I796-Y890 HydrophobicContact CB-CD2 4.4Å; I796-Y890 HydrophobicContact CB-CE2 3.92Å; I796-Y890 HydrophobicContact CD1-CD2 3.72Å; I796-Y890 HydrophobicContact CD1-CE2 3.76Å; I796-Y890 HydrophobicContact CD1-CG 4.3Å; I796-Y890 HydrophobicContact CG1-CE2 4.36Å; I796-Q976 HydrophobicContact CG2-CB 4.46Å; I796-Q976 HydrophobicContact CG2-CG 4.29Å; I796-K979 HydrophobicContact CG1-CB 3.8Å; I796-K979 HydrophobicContact CG2-CB 4.49Å; I796-V980 HydrophobicContact CD1-CG2 4.28Å; I796-L983 HydrophobicContact CD1-CB 4.37Å; I796-L983 HydrophobicContact CD1-CD2 3.74Å; I796-F1009 HydrophobicContact CD1-CE2 3.76Å; I796-F1009 HydrophobicContact CD1-CZ 3.88Å; I796-F1009 HydrophobicContact CG1-CE2 4.03Å; I796-F1009 HydrophobicContact CG1-CZ 4.39Å
797	K	93.7	Very high	93.5	Very high	90 Å²	90	48.4 Å²	48.4	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-38.1	173.1	-68.9	-168.9	-174.3	-145.8	0	112.3	H795 S801 I1014	H795-K797 WeakPolarHBondContact CE1-CD 3.22Å; H795-K797 VanDerWaalsContact CE1-CE 3.44Å; H795-K797 WeakPolarHBondContact CE1-CE 3.21Å; H795-K797 WeakPolarHBondContact CE1-CG 3.24Å; H795-K797 PolarHBondContact ND1-N 2.96Å; H795-K797 PolarHBondContact O-N 3.45Å; K797-S801 PolarHBondContact O-N 3.42Å; K797-S801 VanDerWaalsContact O-N 3.17Å; K797-I1014 HydrophobicContact CD-CB 4.37Å; K797-I1014 VanDerWaalsContact CE-CG2 3.48Å; K797-I1014 HydrophobicContact CG-CB 4.25Å; K797-I1014 HydrophobicContact CG-CD1 3.84Å; K797-I1014 HydrophobicContact CG-CG2 4.39Å; K797-I1014 PolarHBondContact NZ-O 2.75Å; K797-I1014 PolarHBondContact NZ-OXT 2.92Å
798	A	94.4	Very high	93.8	Very high	29 Å²	29	44.2 Å²	44.2	24%	0.24	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-47	176.4	0	0	0	0	0	111	H795 R800 S801 Y802	H795-A798 WeakPolarHBondContact O-CA 3.44Å; H795-A798 WeakPolarHBondContact O-CB 3.4Å; H795-A798 PolarHBondContact O-N 3.48Å; A798-R800 VanDerWaalsContact C-N 3.29Å; A798-R800 PolarHBondContact O-N 3.14Å; A798-S801 WeakPolarHBondContact O-CA 3.47Å; A798-S801 WeakPolarHBondContact O-CB 3.41Å; A798-S801 PolarHBondContact O-N 2.92Å; A798-Y802 PolarHBondContact O-N 3.08Å
799	V	96.2	Very high	94.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.7	-44.7	174.9	-177.8	0	0	0	0	110.9	L794 H795 S801 Y802 S803 L886 L889 Y890 L983 F1009	L794-V799 HydrophobicContact CB-CG2 3.94Å; H795-V799 PolarHBondContact O-N 3Å; V799-S801 VanDerWaalsContact C-N 3.34Å; V799-S801 PolarHBondContact O-N 2.91Å; V799-Y802 PolarHBondContact O-N 3.07Å; V799-S803 PolarHBondContact O-N 2.82Å; V799-S803 PolarHBondContact O-OG 3.34Å; V799-L886 HydrophobicContact CG1-CD2 4.36Å; V799-L889 HydrophobicContact CG2-CB 4.39Å; V799-Y890 HydrophobicContact CG2-CD2 4.06Å; V799-L983 HydrophobicContact CG1-CD2 4.31Å; V799-F1009 HydrophobicContact CG1-CZ 4.42Å
800	R	95.9	Very high	94.7	Very high	50 Å²	50	37.6 Å²	37.6	19%	0.189	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-42	175.1	-162.7	-157.3	82.4	116.4	25.1	113.2	I796 A798 Q804 F1009 I1010 E1012	I796-R800 VanDerWaalsContact O-CB 3.32Å; I796-R800 WeakPolarHBondContact O-CB 3.47Å; I796-R800 PolarHBondContact O-N 2.89Å; A798-R800 VanDerWaalsContact C-N 3.29Å; A798-R800 PolarHBondContact O-N 3.14Å; R800-Q804 PolarHBondContact O-N 3.36Å; R800-F1009 HydrophobicContact CB-CE1 4.04Å; R800-F1009 HydrophobicContact CB-CE2 4.4Å; R800-F1009 HydrophobicContact CB-CZ 3.83Å; R800-F1009 VanDerWaalsContact CD-O 3.26Å; R800-F1009 WeakPolarHBondContact CD-O 3.48Å; R800-F1009 HydrophobicContact CG-CD1 4.31Å; R800-F1009 HydrophobicContact CG-CE1 4.08Å; R800-F1009 HydrophobicContact CG-CE2 4.42Å; R800-F1009 HydrophobicContact CG-CZ 4.12Å; R800-F1009 WeakPolarHBondContact CG-O 3.38Å; R800-I1010 PolarHBondContact NH1-O 2.89Å; R800-E1012 PolarHBondContact NH1-O 2.96Å
801	S	95.7	Very high	95.2	Very high	40 Å²	40	32.3 Å²	32.3	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-63.5	-49.7	175.5	-168.9	0	0	0	0	110.7	K797 A798 V799 S803 Q804 Q805	K797-S801 PolarHBondContact O-N 3.42Å; K797-S801 VanDerWaalsContact O-N 3.17Å; A798-S801 WeakPolarHBondContact O-CA 3.47Å; A798-S801 WeakPolarHBondContact O-CB 3.41Å; A798-S801 PolarHBondContact O-N 2.92Å; V799-S801 VanDerWaalsContact C-N 3.34Å; V799-S801 PolarHBondContact O-N 2.91Å; S801-S803 PolarHBondContact O-N 3.4Å; S801-Q804 WeakPolarHBondContact O-CB 3.49Å; S801-Q804 PolarHBondContact O-N 3.38Å; S801-Q804 VanDerWaalsContact O-N 3.14Å; S801-Q805 WeakPolarHBondContact O-CG 3.08Å; S801-Q805 PolarHBondContact O-N 3.13Å; S801-Q805 VanDerWaalsContact O-N 3.12Å; S801-Q805 PolarHBondContact OG-NE2 2.77Å
802	Y	97.3	Very high	95.8	Very high	6 Å²	6	28.8 Å²	28.8	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-36.5	-178.9	-64.9	-12.7	0	0	0	112.7	L781 L794 A798 V799 Q804 Q805 L806 V830 K834 L837 L889	L781-Y802 HydrophobicContact CD1-CD2 4.3Å; L781-Y802 HydrophobicContact CD1-CE2 4.48Å; L781-Y802 HydrophobicContact CD2-CD2 4.14Å; L781-Y802 HydrophobicContact CD2-CE2 3.51Å; L794-Y802 HydrophobicContact CD1-CD2 4.04Å; L794-Y802 HydrophobicContact CD1-CE2 3.67Å; A798-Y802 PolarHBondContact O-N 3.08Å; V799-Y802 PolarHBondContact O-N 3.07Å; Y802-Q804 VanDerWaalsContact C-N 3.33Å; Y802-Q804 PolarHBondContact O-N 3.45Å; Y802-Q805 PolarHBondContact O-N 2.68Å; Y802-L806 WeakPolarHBondContact O-CB 3.4Å; Y802-L806 WeakPolarHBondContact O-CG 3.49Å; Y802-L806 PolarHBondContact O-N 2.67Å; Y802-V830 HydrophobicContact CE1-CG1 4.49Å; Y802-K834 PolarHBondContact OH-O 3.46Å; Y802-K834 VanDerWaalsContact OH-O 3.11Å; Y802-L837 HydrophobicContact CD1-CD2 3.73Å; Y802-L837 HydrophobicContact CD1-CG 4.43Å; Y802-L837 HydrophobicContact CG-CD2 3.72Å; Y802-L889 HydrophobicContact CD2-CD1 4.42Å
803	S	97.1	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-45	171	-54.8	0	0	0	0	112.3	V799 S801 F807 L886	V799-S803 PolarHBondContact O-N 2.82Å; V799-S803 PolarHBondContact O-OG 3.34Å; S801-S803 PolarHBondContact O-N 3.4Å; S803-F807 WeakPolarHBondContact O-CD2 3.15Å; S803-F807 VanDerWaalsContact O-CG 3.29Å; S803-F807 WeakPolarHBondContact O-CG 3.42Å; S803-F807 PolarHBondContact O-N 3.07Å; S803-L886 VanDerWaalsContact OG-CD1 3.32Å; S803-L886 WeakPolarHBondContact OG-CD1 3.39Å; S803-L886 WeakPolarHBondContact OG-CD2 3.34Å
804	Q	97	Very high	96.3	Very high	72 Å²	72	29.8 Å²	29.8	34%	0.336	14%	0.143	S	C	.	.	H	α-helix	trans	-62.6	-44.6	179.2	-173	176.9	-11.5	0	0	111.4	R800 S801 Y802 F807 L808 L1005 I1010	R800-Q804 PolarHBondContact O-N 3.36Å; S801-Q804 WeakPolarHBondContact O-CB 3.49Å; S801-Q804 PolarHBondContact O-N 3.38Å; S801-Q804 VanDerWaalsContact O-N 3.14Å; Y802-Q804 VanDerWaalsContact C-N 3.33Å; Y802-Q804 PolarHBondContact O-N 3.45Å; Q804-F807 PolarHBondContact O-N 3.47Å; Q804-L808 WeakPolarHBondContact O-CG 3.44Å; Q804-L808 PolarHBondContact O-N 2.74Å; Q804-L808 VanDerWaalsContact O-N 3.08Å; Q804-L1005 HydrophobicContact CG-CD2 4.34Å; Q804-I1010 HydrophobicContact CB-CD1 4.31Å; Q804-I1010 HydrophobicContact CB-CG2 3.93Å; Q804-I1010 HydrophobicContact CG-CG2 3.93Å
805	Q	97.4	Very high	96.4	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-42.2	-179.3	-62.1	-179.3	49.9	0	0	111.9	H756 S801 Y802 L808 A809 T835 L837	H756-Q805 HydrophobicContact CB-CB 4.39Å; H756-Q805 VanDerWaalsContact CE1-CG 3.48Å; H756-Q805 WeakPolarHBondContact CE1-CG 3.44Å; H756-Q805 PolarHBondContact CE1-OE1 3.12Å; H756-Q805 PolarHBondContact ND1-OE1 2.85Å; H756-Q805 VanDerWaalsContact ND1-OE1 3.11Å; S801-Q805 WeakPolarHBondContact O-CG 3.08Å; S801-Q805 PolarHBondContact O-N 3.13Å; S801-Q805 VanDerWaalsContact O-N 3.12Å; S801-Q805 PolarHBondContact OG-NE2 2.77Å; Y802-Q805 PolarHBondContact O-N 2.68Å; Q805-L808 WeakPolarHBondContact O-CB 3.39Å; Q805-L808 PolarHBondContact O-N 3.08Å; Q805-A809 PolarHBondContact O-N 2.84Å; Q805-T835 PolarHBondContact NE2-O 3.1Å; Q805-L837 HydrophobicContact CB-CD1 3.8Å; Q805-L837 HydrophobicContact CB-CD2 4.13Å; Q805-L837 HydrophobicContact CB-CG 3.72Å
806	L	98	Very high	96.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-41.2	175.1	-71.1	170.7	0	0	0	112.5	Y802 L808 A809 L810 I828 L837 V882 L886	Y802-L806 WeakPolarHBondContact O-CB 3.4Å; Y802-L806 WeakPolarHBondContact O-CG 3.49Å; Y802-L806 PolarHBondContact O-N 2.67Å; L806-L808 VanDerWaalsContact C-N 3.27Å; L806-L808 PolarHBondContact O-N 2.89Å; L806-A809 WeakPolarHBondContact O-CB 3.49Å; L806-A809 PolarHBondContact O-N 3.4Å; L806-L810 WeakPolarHBondContact O-CG 3.35Å; L806-L810 PolarHBondContact O-N 3.12Å; L806-I828 HydrophobicContact CD1-CD1 4.27Å; L806-I828 HydrophobicContact CD2-CD1 3.76Å; L806-I828 HydrophobicContact CD2-CG1 4.11Å; L806-I828 HydrophobicContact CD2-CG2 4.34Å; L806-L837 HydrophobicContact CD1-CD2 4.49Å; L806-L837 HydrophobicContact CD2-CD1 3.93Å; L806-L837 HydrophobicContact CD2-CD2 4.28Å; L806-L837 HydrophobicContact CG-CD1 4.21Å; L806-L837 HydrophobicContact CG-CD2 3.96Å; L806-V882 HydrophobicContact CB-CG1 4.19Å; L806-V882 HydrophobicContact CB-CG2 4.34Å; L806-V882 HydrophobicContact CD1-CG1 4.29Å; L806-L886 HydrophobicContact CD1-CD2 4.21Å
807	F	98	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-22.7	175.3	-62.5	-41.5	0	0	0	113.2	S803 Q804 L810 K811 M879 V882 L886 L986 T990 I1001 A1004 L1005 I1010	S803-F807 WeakPolarHBondContact O-CD2 3.15Å; S803-F807 VanDerWaalsContact O-CG 3.29Å; S803-F807 WeakPolarHBondContact O-CG 3.42Å; S803-F807 PolarHBondContact O-N 3.07Å; Q804-F807 PolarHBondContact O-N 3.47Å; F807-L810 HydrophobicContact CD1-CD1 4.22Å; F807-K811 WeakPolarHBondContact O-CB 3.01Å; F807-K811 PolarHBondContact O-N 3.45Å; F807-K811 VanDerWaalsContact O-N 3.16Å; F807-M879 HydrophobicContact CD1-CE 4.15Å; F807-M879 HydrophobicContact CD1-SD 4.22Å; F807-M879 HydrophobicContact CE1-CE 4.16Å; F807-M879 HydrophobicContact CE1-SD 3.65Å; F807-V882 HydrophobicContact CD1-CG1 4.2Å; F807-V882 HydrophobicContact CE1-CG1 3.62Å; F807-V882 HydrophobicContact CZ-CG1 4.22Å; F807-L886 HydrophobicContact CE2-CD1 4.42Å; F807-L886 HydrophobicContact CZ-CD1 3.94Å; F807-L986 HydrophobicContact CE2-CD1 4.2Å; F807-L986 HydrophobicContact CE2-CD2 4.01Å; F807-L986 HydrophobicContact CZ-CD1 4.17Å; F807-L986 HydrophobicContact CZ-CD2 4.26Å; F807-T990 HydrophobicContact CZ-CG2 4.37Å; F807-I1001 HydrophobicContact CB-CG2 4.41Å; F807-I1001 WeakPolarHBondContact O-CG2 3.41Å; F807-A1004 HydrophobicContact CD1-CB 4.12Å; F807-A1004 HydrophobicContact CD2-CB 3.81Å; F807-A1004 HydrophobicContact CE1-CB 4.08Å; F807-A1004 HydrophobicContact CE2-CB 3.77Å; F807-A1004 HydrophobicContact CG-CB 4.01Å; F807-A1004 HydrophobicContact CZ-CB 3.92Å; F807-L1005 HydrophobicContact CB-CD2 3.67Å; F807-L1005 HydrophobicContact CB-CG 3.84Å; F807-I1010 HydrophobicContact CD2-CD1 3.61Å; F807-I1010 HydrophobicContact CE2-CD1 3.83Å
808	L	97.6	Very high	96.7	Very high	35 Å²	35	31.3 Å²	31.3	18%	0.183	15%	0.15	C	C	.	.	H	α-helix	trans	-70.6	-42.9	167.3	-70.8	168.9	0	0	0	111.1	F755 Q804 Q805 L806 L810 K811 L812 L1005	F755-L808 HydrophobicContact CD1-CB 4.2Å; F755-L808 HydrophobicContact CD1-CD2 4.14Å; F755-L808 WeakPolarHBondContact CD1-O 3.44Å; F755-L808 HydrophobicContact CE1-CD2 4.25Å; F755-L808 CarbonylContact O-C 3.57Å; Q804-L808 WeakPolarHBondContact O-CG 3.44Å; Q804-L808 PolarHBondContact O-N 2.74Å; Q804-L808 VanDerWaalsContact O-N 3.08Å; Q805-L808 WeakPolarHBondContact O-CB 3.39Å; Q805-L808 PolarHBondContact O-N 3.08Å; L806-L808 VanDerWaalsContact C-N 3.27Å; L806-L808 PolarHBondContact O-N 2.89Å; L808-L810 PolarHBondContact O-N 2.81Å; L808-K811 WeakPolarHBondContact O-CA 3.5Å; L808-K811 VanDerWaalsContact O-CB 3.31Å; L808-K811 WeakPolarHBondContact O-CB 3.5Å; L808-K811 PolarHBondContact O-N 3.01Å; L808-L812 PolarHBondContact O-N 3.26Å; L808-L812 VanDerWaalsContact O-N 3.09Å; L808-L1005 HydrophobicContact CD2-CD1 4.22Å; L808-L1005 HydrophobicContact CD2-CD2 4.3Å; L808-L1005 HydrophobicContact CG-CD2 4.16Å
809	A	97.8	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-46.5	173.5	0	0	0	0	0	112.2	F755 Q805 L806 K811 L812 L813 L839	F755-A809 WeakPolarHBondContact O-CA 3.18Å; F755-A809 PolarHBondContact O-N 2.64Å; F755-A809 VanDerWaalsContact O-N 3.15Å; Q805-A809 PolarHBondContact O-N 2.84Å; L806-A809 WeakPolarHBondContact O-CB 3.49Å; L806-A809 PolarHBondContact O-N 3.4Å; A809-K811 PolarHBondContact O-N 2.76Å; A809-L812 PolarHBondContact O-N 3.5Å; A809-L812 VanDerWaalsContact O-N 3.1Å; A809-L813 WeakPolarHBondContact O-CG 3.31Å; A809-L813 PolarHBondContact O-N 3.39Å; A809-L839 HydrophobicContact CB-CB 4.15Å; A809-L839 HydrophobicContact CB-CD2 3.9Å
810	L	97.6	Very high	96.7	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-33.5	173.3	-63.3	-163.3	0	0	0	112.7	L806 F807 L808 L813 K814 I823 D878 M879 V882 I1001	L806-L810 WeakPolarHBondContact O-CG 3.35Å; L806-L810 PolarHBondContact O-N 3.12Å; F807-L810 HydrophobicContact CD1-CD1 4.22Å; L808-L810 PolarHBondContact O-N 2.81Å; L810-L813 HydrophobicContact CD2-CD1 4.21Å; L810-K814 WeakPolarHBondContact O-CB 3.31Å; L810-K814 PolarHBondContact O-N 3.07Å; L810-I823 HydrophobicContact CD2-CD1 3.6Å; L810-D878 HydrophobicContact CD2-CB 3.7Å; L810-M879 HydrophobicContact CD1-CB 4.33Å; L810-M879 HydrophobicContact CD1-CE 3.84Å; L810-M879 HydrophobicContact CD1-SD 4.24Å; L810-V882 HydrophobicContact CD1-CB 4.48Å; L810-V882 HydrophobicContact CD1-CG2 4.03Å; L810-V882 HydrophobicContact CD2-CG2 4.22Å; L810-V882 HydrophobicContact CG-CG2 4.27Å; L810-I1001 HydrophobicContact CB-CD1 3.87Å; L810-I1001 HydrophobicContact CB-CG1 4.01Å; L810-I1001 HydrophobicContact CB-CG2 4.35Å; L810-I1001 WeakPolarHBondContact O-CD1 3.35Å
811	K	97.4	Very high	96.7	Very high	79 Å²	79	27.5 Å²	27.5	34%	0.343	13%	0.129	S	C	.	.	H	α-helix	trans	-69.4	-34.7	178	-173.9	164.9	174.5	162.4	0	112.4	F755 F807 L808 A809 R815 I1001 N1002 L1005	F755-K811 HydrophobicContact CD1-CB 4.42Å; F755-K811 HydrophobicContact CE1-CB 4.4Å; F755-K811 HydrophobicContact CE1-CD 4.16Å; F755-K811 HydrophobicContact CE1-CG 4.14Å; F807-K811 WeakPolarHBondContact O-CB 3.01Å; F807-K811 PolarHBondContact O-N 3.45Å; F807-K811 VanDerWaalsContact O-N 3.16Å; L808-K811 WeakPolarHBondContact O-CA 3.5Å; L808-K811 VanDerWaalsContact O-CB 3.31Å; L808-K811 WeakPolarHBondContact O-CB 3.5Å; L808-K811 PolarHBondContact O-N 3.01Å; A809-K811 PolarHBondContact O-N 2.76Å; K811-R815 WeakPolarHBondContact O-CB 3.37Å; K811-R815 PolarHBondContact O-N 2.68Å; K811-I1001 HydrophobicContact CB-CG2 3.86Å; K811-N1002 PolarHBondContact NZ-OD1 2.92Å; K811-L1005 HydrophobicContact CD-CD1 4.01Å
812	L	97.3	Very high	96.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-71.4	-47.8	173	-177.1	67.8	0	0	0	111.6	L746 A749 D750 F755 C757 L808 A809 K814 R815 C816	L746-L812 HydrophobicContact CB-CD2 4.08Å; L746-L812 HydrophobicContact CD2-CD2 3.71Å; L746-L812 HydrophobicContact CD2-CG 3.64Å; L746-L812 HydrophobicContact CG-CD2 4.49Å; A749-L812 HydrophobicContact CB-CD1 3.92Å; D750-L812 HydrophobicContact CB-CD1 4.08Å; D750-L812 HydrophobicContact CB-CD2 4.14Å; F755-L812 HydrophobicContact CB-CB 3.65Å; F755-L812 HydrophobicContact CB-CD2 3.97Å; F755-L812 HydrophobicContact CB-CG 4.25Å; F755-L812 HydrophobicContact CD1-CB 4.39Å; F755-L812 HydrophobicContact CD2-CD1 4.26Å; F755-L812 HydrophobicContact CG-CB 4Å; F755-L812 HydrophobicContact CG-CD1 4.47Å; C757-L812 HydrophobicContact CB-CD2 4.12Å; L808-L812 PolarHBondContact O-N 3.26Å; L808-L812 VanDerWaalsContact O-N 3.09Å; A809-L812 PolarHBondContact O-N 3.5Å; A809-L812 VanDerWaalsContact O-N 3.1Å; L812-K814 VanDerWaalsContact C-N 3.32Å; L812-K814 PolarHBondContact O-N 2.94Å; L812-R815 CarbonylContact O-C 3.6Å; L812-R815 WeakPolarHBondContact O-CA 3.42Å; L812-R815 WeakPolarHBondContact O-CB 3.44Å; L812-R815 PolarHBondContact O-N 3.23Å; L812-C816 PolarHBondContact O-N 3.5Å; L812-C816 PolarHBondContact O-SG 3.22Å
813	L	96.8	Very high	96.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-55.5	-47	177.8	-68.4	167.3	0	0	0	111.6	L746 A809 L810 R815 C816 N817 I818 H820 L839 F842	L746-L813 HydrophobicContact CD1-CD2 4.11Å; L746-L813 HydrophobicContact CD2-CD2 3.93Å; A809-L813 WeakPolarHBondContact O-CG 3.31Å; A809-L813 PolarHBondContact O-N 3.39Å; L810-L813 HydrophobicContact CD2-CD1 4.21Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.18Å; L813-C816 PolarHBondContact O-N 2.95Å; L813-C816 VanDerWaalsContact O-N 3.15Å; L813-N817 PolarHBondContact O-N 2.85Å; L813-N817 VanDerWaalsContact O-N 3.15Å; L813-I818 HydrophobicContact CD2-CB 4.04Å; L813-I818 HydrophobicContact CD2-CG2 3.73Å; L813-I818 PolarHBondContact O-N 2.81Å; L813-H820 HydrophobicContact CD1-CB 4.01Å; L813-L839 HydrophobicContact CD1-CD2 3.76Å; L813-F842 HydrophobicContact CD2-CE1 3.84Å
814	K	96.1	Very high	96.6	Very high	99 Å²	99	26.6 Å²	26.6	43%	0.43	12%	0.121	S	C	.	.	H	α-helix	trans	-64.9	-28.5	175.3	-175.1	160.7	-172.1	162.5	0	114.1	L810 L812 Y875 I1001	L810-K814 WeakPolarHBondContact O-CB 3.31Å; L810-K814 PolarHBondContact O-N 3.07Å; L812-K814 VanDerWaalsContact C-N 3.32Å; L812-K814 PolarHBondContact O-N 2.94Å; K814-Y875 HydrophobicContact CB-CD1 3.89Å; K814-Y875 HydrophobicContact CB-CE1 4.02Å; K814-Y875 HydrophobicContact CB-CG 4.27Å; K814-Y875 HydrophobicContact CD-CD1 4.42Å; K814-Y875 HydrophobicContact CD-CD2 3.85Å; K814-Y875 HydrophobicContact CD-CE2 4.18Å; K814-Y875 HydrophobicContact CD-CG 3.95Å; K814-Y875 HydrophobicContact CG-CD1 3.99Å; K814-Y875 HydrophobicContact CG-CD2 4.04Å; K814-Y875 HydrophobicContact CG-CE1 3.94Å; K814-Y875 HydrophobicContact CG-CE2 3.98Å; K814-Y875 HydrophobicContact CG-CG 4.01Å; K814-I1001 HydrophobicContact CB-CD1 3.93Å; K814-I1001 HydrophobicContact CD-CD1 3.84Å; K814-I1001 HydrophobicContact CG-CD1 4.48Å
815	R	95.6	Very high	96.5	Very high	127 Å²	127	23.1 Å²	23.1	48%	0.479	11%	0.105	S	C	.	.	H	α-helix	trans	-76.4	-26	174.7	179.6	168.1	59.7	126.3	-0.8	112.8	A749 F755 K811 L812 L813	A749-R815 VanDerWaalsContact O-CZ 3.23Å; A749-R815 PolarHBondContact O-NH1 3.38Å; A749-R815 PolarHBondContact O-NH2 3.43Å; F755-R815 VanDerWaalsContact CE2-NH2 3.34Å; K811-R815 WeakPolarHBondContact O-CB 3.37Å; K811-R815 PolarHBondContact O-N 2.68Å; L812-R815 CarbonylContact O-C 3.6Å; L812-R815 WeakPolarHBondContact O-CA 3.42Å; L812-R815 WeakPolarHBondContact O-CB 3.44Å; L812-R815 PolarHBondContact O-N 3.23Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.18Å
816	C	95.7	Very high	96.3	Very high	8 Å²	8	25 Å²	25	5%	0.054	12%	0.115	C	C	.	.	H	α-helix	trans	-98.9	1.8	-178.2	-56.4	0	0	0	0	114	K745 L746 A749 L812 L813 I818	K745-C816 HydrophobicContact CD-CB 4.48Å; K745-C816 WeakPolarHBondContact CE-O 3.37Å; K745-C816 PolarHBondContact NZ-O 3.23Å; L746-C816 HydrophobicContact CD2-CB 4.19Å; A749-C816 VanDerWaalsContact CB-SG 3.57Å; L812-C816 PolarHBondContact O-N 3.5Å; L812-C816 PolarHBondContact O-SG 3.22Å; L813-C816 PolarHBondContact O-N 2.95Å; L813-C816 VanDerWaalsContact O-N 3.15Å; C816-I818 HydrophobicContact CB-CD1 3.82Å; C816-I818 HydrophobicContact CB-CG1 4.19Å
817	N	95.8	Very high	96.2	Very high	89 Å²	89	25.7 Å²	25.7	48%	0.476	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	40	-174.7	-60.2	74.5	0	0	0	113.5	L813 H847 V848 Y875	L813-N817 PolarHBondContact O-N 2.85Å; L813-N817 VanDerWaalsContact O-N 3.15Å; N817-H847 PolarHBondContact O-ND1 3.43Å; N817-V848 PolarHBondContact O-N 3.17Å; N817-Y875 PolarHBondContact ND2-OH 3.02Å
818	I	95.8	Very high	96.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.8	179.3	-63	166	0	0	0	109.3	F742 K745 L746 L813 C816 A845 S846	F742-I818 HydrophobicContact CB-CD1 4.04Å; F742-I818 HydrophobicContact CD1-CD1 3.76Å; F742-I818 HydrophobicContact CD1-CG1 3.8Å; F742-I818 HydrophobicContact CD1-CG2 4.43Å; F742-I818 HydrophobicContact CE1-CG1 4.27Å; F742-I818 HydrophobicContact CG-CD1 4.22Å; K745-I818 HydrophobicContact CD-CD1 4.38Å; L746-I818 HydrophobicContact CD1-CD1 4.29Å; L746-I818 HydrophobicContact CD2-CD1 3.95Å; L746-I818 HydrophobicContact CG-CD1 3.86Å; L813-I818 HydrophobicContact CD2-CB 4.04Å; L813-I818 HydrophobicContact CD2-CG2 3.73Å; L813-I818 PolarHBondContact O-N 2.81Å; C816-I818 HydrophobicContact CB-CD1 3.82Å; C816-I818 HydrophobicContact CB-CG1 4.19Å; I818-A845 HydrophobicContact CG2-CB 4.17Å; I818-S846 WeakPolarHBondContact CA-O 3.44Å
819	L	95.6	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.7	160.8	-58.6	179.9	0	0	0	108.3	A845 S846 V848 N851 Y873 Y875 I877	L819-A845 WeakPolarHBondContact O-CA 3.36Å; L819-A845 VanDerWaalsContact O-CB 3.24Å; L819-A845 WeakPolarHBondContact O-CB 3.49Å; L819-S846 PolarHBondContact N-O 2.7Å; L819-S846 PolarHBondContact O-N 3.42Å; L819-S846 VanDerWaalsContact O-N 3.12Å; L819-V848 HydrophobicContact CD1-CG2 4.41Å; L819-V848 HydrophobicContact CD2-CG2 3.81Å; L819-V848 HydrophobicContact CG-CG2 3.74Å; L819-N851 WeakPolarHBondContact CD1-OD1 3.35Å; L819-Y873 HydrophobicContact CD1-CD2 3.86Å; L819-Y873 HydrophobicContact CD1-CE2 3.64Å; L819-Y875 HydrophobicContact CD2-CD1 3.8Å; L819-Y875 HydrophobicContact CD2-CE1 4.38Å; L819-Y875 HydrophobicContact CD2-CG 4.21Å; L819-I877 HydrophobicContact CD1-CD1 4.18Å
820	H	96.1	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.			trans	-79.1	-38.3	173.6	-169.8	-58.7	0	0	0	111.5	L813 D822 I823 L839 C840 D841 F842 D878	L813-H820 HydrophobicContact CD1-CB 4.01Å; H820-D822 PolarHBondContact ND1-N 3.3Å; H820-D822 PolarHBondContact O-N 3.11Å; H820-I823 HydrophobicContact CB-CD1 3.97Å; H820-I823 HydrophobicContact CB-CG1 3.71Å; H820-L839 VanDerWaalsContact CD2-CD2 3.41Å; H820-L839 WeakPolarHBondContact CD2-CD2 3.18Å; H820-L839 WeakPolarHBondContact CD2-CG 3.46Å; H820-L839 WeakPolarHBondContact NE2-CD1 3.45Å; H820-L839 WeakPolarHBondContact NE2-CG 3.44Å; H820-C840 PolarHBondContact CE1-O 3.36Å; H820-C840 PolarHBondContact NE2-O 2.88Å; H820-C840 VanDerWaalsContact NE2-O 3.14Å; H820-D841 PolarHBondContact CE1-O 3.05Å; H820-F842 AromaticContact CD2-CD1 3.88Å; H820-F842 AromaticContact CD2-CE1 3.47Å; H820-F842 VanDerWaalsContact CD2-CE1 3.47Å; H820-F842 WeakPolarHBondContact CD2-CE1 3.45Å; H820-F842 AromaticContact NE2-CE1 3.96Å; H820-D878 PolarHBondContact N-OD2 3.47Å
821	A	94.4	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.			trans	58.5	8.2	172.6	0	0	0	0	0	116.8	L857 V858 I877 D878	A821-L857 HydrophobicContact CB-CD1 3.89Å; A821-L857 HydrophobicContact CB-CD2 3.98Å; A821-L857 HydrophobicContact CB-CG 3.92Å; A821-V858 WeakPolarHBondContact O-CA 3.27Å; A821-V858 WeakPolarHBondContact O-CB 3.46Å; A821-V858 WeakPolarHBondContact O-CG2 3.38Å; A821-V858 PolarHBondContact O-N 3.34Å; A821-I877 HydrophobicContact CB-CD1 4.26Å; A821-D878 PolarHBondContact N-OD1 3.15Å
822	D	95.2	Very high	95.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	15%	0.149	C	C	.	.			trans	-153.2	49.7	170.5	-160.2	38.1	0	0	0	112.7	H820 K824 N827 S859	H820-D822 PolarHBondContact ND1-N 3.3Å; H820-D822 PolarHBondContact O-N 3.11Å; D822-K824 PolarHBondContact O-N 3.09Å; D822-K824 IonicContact OD1-NZ 3.15Å; D822-K824 WeakPolarHBondContact OD2-CE 3.34Å; D822-K824 IonicContact OD2-NZ 2.73Å; D822-K824 PolarHBondContact OD2-NZ 2.9Å; D822-N827 PolarHBondContact O-ND2 2.81Å; D822-N827 PolarHBondContact OD2-ND2 3.49Å; D822-S859 WeakPolarHBondContact OD1-CB 3.25Å; D822-S859 PolarHBondContact OD1-N 3.19Å; D822-S859 PolarHBondContact OD1-OG 3.14Å; D822-S859 PolarHBondContact OD2-OG 2.68Å
823	I	97.4	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.			trans	-78.5	118	177.4	-53.8	-174.9	0	0	0	110.2	L810 H820 I828 L839 D878 V882	L810-I823 HydrophobicContact CD2-CD1 3.6Å; H820-I823 HydrophobicContact CB-CD1 3.97Å; H820-I823 HydrophobicContact CB-CG1 3.71Å; I823-I828 HydrophobicContact CG2-CD1 4.15Å; I823-L839 HydrophobicContact CD1-CD1 4.5Å; I823-L839 HydrophobicContact CD1-CD2 4.11Å; I823-L839 HydrophobicContact CG1-CD1 4.19Å; I823-L839 HydrophobicContact CG2-CD1 4.13Å; I823-D878 HydrophobicContact CD1-CB 3.69Å; I823-V882 HydrophobicContact CD1-CG2 4.15Å; I823-V882 HydrophobicContact CG2-CG2 3.99Å
824	K	95.9	Very high	95.1	Very high	23 Å²	23	39.3 Å²	39.3	10%	0.1	19%	0.192	C	C	.	.	S	Bend	trans	-154.9	163.4	180	65.2	-161	-169.1	-155.3	0	110.4	D822 D826 N827 I828 S859 Y862	D822-K824 PolarHBondContact O-N 3.09Å; D822-K824 IonicContact OD1-NZ 3.15Å; D822-K824 WeakPolarHBondContact OD2-CE 3.34Å; D822-K824 IonicContact OD2-NZ 2.73Å; D822-K824 PolarHBondContact OD2-NZ 2.9Å; K824-D826 HydrophobicContact CD-CB 4.42Å; K824-D826 HydrophobicContact CG-CB 4.01Å; K824-D826 WeakPolarHBondContact CG-OD2 3.47Å; K824-D826 PolarHBondContact O-N 2.81Å; K824-N827 WeakPolarHBondContact CE-OD1 3.34Å; K824-N827 HydrophobicContact CG-CB 4.07Å; K824-N827 PolarHBondContact O-N 3.21Å; K824-I828 WeakPolarHBondContact O-CD1 3.25Å; K824-I828 WeakPolarHBondContact O-CG1 3.23Å; K824-S859 WeakPolarHBondContact CD-OG 3.48Å; K824-S859 PolarHBondContact NZ-OG 3.34Å; K824-Y862 HydrophobicContact CB-CD1 4.3Å; K824-Y862 HydrophobicContact CB-CD2 3.66Å; K824-Y862 HydrophobicContact CB-CE1 4.25Å; K824-Y862 HydrophobicContact CB-CE2 3.59Å; K824-Y862 HydrophobicContact CB-CG 4.05Å
825	P	95.8	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.7	-26.7	179.4	-25.1	32.5	0	0	0	115	L781 R782 Y862 T885 E888	L781-P825 WeakPolarHBondContact CA-O 3.36Å; L781-P825 HydrophobicContact CB-CB 4.1Å; L781-P825 WeakPolarHBondContact CB-O 3.48Å; L781-P825 PolarHBondContact N-O 3.11Å; R782-P825 HydrophobicContact CB-CB 4.35Å; R782-P825 PolarHBondContact N-O 2.96Å; R782-P825 VanDerWaalsContact N-O 3.12Å; P825-Y862 WeakPolarHBondContact CD-OH 3.37Å; P825-Y862 HydrophobicContact CG-CE1 4.49Å; P825-T885 HydrophobicContact CG-CG2 4.25Å; P825-E888 HydrophobicContact CG-CG 4.47Å; P825-E888 WeakPolarHBondContact CG-OE2 3.43Å
826	D	93.4	Very high	94.9	Very high	54 Å²	54	35.6 Å²	35.6	29%	0.289	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-72.6	-33	179.2	-40.4	-95.5	0	0	0	111.7	N780 R782 K824	N780-D826 VanDerWaalsContact CB-O 3.31Å; N780-D826 WeakPolarHBondContact CB-O 3.49Å; R782-D826 HydrophobicContact CB-CB 4.45Å; R782-D826 VanDerWaalsContact CB-OD1 3.27Å; R782-D826 WeakPolarHBondContact CB-OD1 3.3Å; R782-D826 WeakPolarHBondContact CG-OD1 3.09Å; R782-D826 IonicContact CZ-OD1 2.82Å; R782-D826 IonicContact CZ-OD2 3.95Å; R782-D826 IonicContact NE-OD1 3.09Å; R782-D826 PolarHBondContact NE-OD1 2.84Å; R782-D826 IonicContact NE-OD2 3.37Å; R782-D826 PolarHBondContact NE-OD2 2.86Å; R782-D826 IonicContact NH2-OD1 2.65Å; R782-D826 IonicContact NH2-OD2 2.73Å; R782-D826 PolarHBondContact NH2-OD2 2.65Å; K824-D826 HydrophobicContact CD-CB 4.42Å; K824-D826 HydrophobicContact CG-CB 4.01Å; K824-D826 WeakPolarHBondContact CG-OD2 3.47Å; K824-D826 PolarHBondContact O-N 2.81Å
827	N	95.3	Very high	95	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.08	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-97.9	21.5	-178.8	-66.4	3.6	0	0	0	112.4	D822 K824 C840	D822-N827 PolarHBondContact O-ND2 2.81Å; D822-N827 PolarHBondContact OD2-ND2 3.49Å; K824-N827 WeakPolarHBondContact CE-OD1 3.34Å; K824-N827 HydrophobicContact CG-CB 4.07Å; K824-N827 PolarHBondContact O-N 3.21Å; N827-C840 PolarHBondContact O-N 3.17Å; N827-C840 VanDerWaalsContact O-N 3.15Å; N827-C840 PolarHBondContact O-SG 3.03Å
828	I	97	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110	174.7	-58.8	158.3	0	0	0	107.7	N780 L781 L806 I823 K824 L837 L839 T885	N780-I828 CarbonylContact C-O 3.6Å; N780-I828 VanDerWaalsContact CA-O 3.31Å; N780-I828 WeakPolarHBondContact CA-O 3.35Å; L781-I828 HydrophobicContact CD1-CB 3.84Å; L781-I828 HydrophobicContact CD1-CD1 4.31Å; L781-I828 HydrophobicContact CD1-CG2 3.42Å; L781-I828 VanDerWaalsContact CD1-CG2 3.42Å; L781-I828 HydrophobicContact CG-CB 4.21Å; L781-I828 HydrophobicContact CG-CG2 3.97Å; L781-I828 PolarHBondContact N-O 3.14Å; L806-I828 HydrophobicContact CD1-CD1 4.27Å; L806-I828 HydrophobicContact CD2-CD1 3.76Å; L806-I828 HydrophobicContact CD2-CG1 4.11Å; L806-I828 HydrophobicContact CD2-CG2 4.34Å; I823-I828 HydrophobicContact CG2-CD1 4.15Å; K824-I828 WeakPolarHBondContact O-CD1 3.25Å; K824-I828 WeakPolarHBondContact O-CG1 3.23Å; I828-L837 HydrophobicContact CG2-CB 3.92Å; I828-L837 HydrophobicContact CG2-CD1 4.1Å; I828-L837 HydrophobicContact CG2-CD2 4.04Å; I828-L837 HydrophobicContact CG2-CG 4.24Å; I828-L839 HydrophobicContact CG1-CD1 3.95Å; I828-T885 HydrophobicContact CD1-CG2 3.8Å
829	L	95.6	Very high	95.1	Very high	39 Å²	39	31.1 Å²	31.1	20%	0.204	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	153.2	-179.5	-70	167.8	0	0	0	111	L777 M779 N780 L837 K838 C840	L777-L829 HydrophobicContact CB-CB 4.02Å; L777-L829 HydrophobicContact CB-CD1 4.34Å; L777-L829 HydrophobicContact CD1-CB 3.53Å; L777-L829 HydrophobicContact CD1-CD1 3.9Å; L777-L829 HydrophobicContact CD1-CG 4.36Å; L777-L829 HydrophobicContact CG-CB 4.4Å; M779-L829 WeakPolarHBondContact O-CA 3.32Å; N780-L829 HydrophobicContact CB-CD2 4.06Å; L829-L837 CarbonylContact O-C 3.56Å; L829-L837 WeakPolarHBondContact O-CA 3.48Å; L829-L837 WeakPolarHBondContact O-CB 3.23Å; L829-K838 PolarHBondContact N-O 3.26Å; L829-K838 PolarHBondContact O-N 3.21Å; L829-C840 HydrophobicContact CD1-CB 4.06Å
830	V	95.9	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.9	173.7	-68	0	0	0	0	112.6	S778 M779 L781 V784 Y802 K834 I836 L837	S778-V830 WeakPolarHBondContact CB-O 3.07Å; S778-V830 PolarHBondContact N-O 3.33Å; M779-V830 HydrophobicContact CG-CG2 3.99Å; M779-V830 WeakPolarHBondContact O-CG2 3.49Å; M779-V830 PolarHBondContact O-N 2.91Å; L781-V830 HydrophobicContact CD2-CG1 3.5Å; L781-V830 VanDerWaalsContact CD2-CG1 3.5Å; L781-V830 HydrophobicContact CG-CG1 4.18Å; V784-V830 HydrophobicContact CG2-CG2 3.86Å; Y802-V830 HydrophobicContact CE1-CG1 4.49Å; V830-K834 HydrophobicContact CG2-CG 4.21Å; V830-I836 WeakPolarHBondContact CA-O 3.21Å; V830-L837 HydrophobicContact CG1-CB 3.98Å
831	N	94	Very high	94.8	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.182	18%	0.176	C	C	.	.			trans	-67.7	166	168.3	72	-11.4	0	0	0	111.8	S833 K834 T835 I836	N831-S833 VanDerWaalsContact C-N 3.29Å; N831-S833 PolarHBondContact ND2-OG 3.48Å; N831-S833 VanDerWaalsContact ND2-OG 3.16Å; N831-S833 PolarHBondContact O-N 2.87Å; N831-S833 PolarHBondContact OD1-OG 2.89Å; N831-K834 WeakPolarHBondContact O-CA 3.33Å; N831-K834 PolarHBondContact O-N 2.9Å; N831-K834 PolarHBondContact OD1-N 3.42Å; N831-K834 VanDerWaalsContact OD1-N 3.09Å; N831-T835 PolarHBondContact ND2-OG1 3.12Å; N831-T835 VanDerWaalsContact ND2-OG1 3.11Å; N831-T835 PolarHBondContact OD1-N 3.14Å; N831-T835 PolarHBondContact OD1-OG1 3.42Å; N831-I836 PolarHBondContact N-O 2.92Å; N831-I836 PolarHBondContact OD1-N 2.99Å; N831-I836 PolarHBondContact OD1-O 3.39Å
832	E	91.5	Very high	94.7	Very high	170 Å²	170	33.3 Å²	33.3	79%	0.794	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.4	-176.7	-175.2	177.8	-154.9	0	0	113.3	K834	E832-K834 PolarHBondContact O-N 2.87Å
833	S	91.8	Very high	94.3	Very high	79 Å²	79	34.3 Å²	34.3	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-4.8	176.7	57.9	0	0	0	0	114.5	N831 T835	N831-S833 VanDerWaalsContact C-N 3.29Å; N831-S833 PolarHBondContact ND2-OG 3.48Å; N831-S833 VanDerWaalsContact ND2-OG 3.16Å; N831-S833 PolarHBondContact O-N 2.87Å; N831-S833 PolarHBondContact OD1-OG 2.89Å; S833-T835 PolarHBondContact O-N 3.37Å; S833-T835 PolarHBondContact OG-OG1 2.77Å
834	K	93.9	Very high	93.9	Very high	85 Å²	85	36 Å²	36	37%	0.37	20%	0.199	S	C	.	.	S	Bend	trans	54.9	37.2	-179	-54.3	168.1	-169.7	168.4	0	112.6	Y802 V830 N831 E832	Y802-K834 PolarHBondContact OH-O 3.46Å; Y802-K834 VanDerWaalsContact OH-O 3.11Å; V830-K834 HydrophobicContact CG2-CG 4.21Å; N831-K834 WeakPolarHBondContact O-CA 3.33Å; N831-K834 PolarHBondContact O-N 2.9Å; N831-K834 PolarHBondContact OD1-N 3.42Å; N831-K834 VanDerWaalsContact OD1-N 3.09Å; E832-K834 PolarHBondContact O-N 2.87Å
835	T	92.3	Very high	93.7	Very high	75 Å²	75	35.3 Å²	35.3	46%	0.46	20%	0.198	S	C	.	.	S	Bend	trans	-106.3	-35	179.6	50.7	0	0	0	0	112.1	Q805 N831 S833	Q805-T835 PolarHBondContact NE2-O 3.1Å; N831-T835 PolarHBondContact ND2-OG1 3.12Å; N831-T835 VanDerWaalsContact ND2-OG1 3.11Å; N831-T835 PolarHBondContact OD1-N 3.14Å; N831-T835 PolarHBondContact OD1-OG1 3.42Å; S833-T835 PolarHBondContact O-N 3.37Å; S833-T835 PolarHBondContact OG-OG1 2.77Å
836	I	95.1	Very high	93.6	Very high	74 Å²	74	36.2 Å²	36.2	38%	0.379	20%	0.204	S	C	.	.			trans	-115.1	130.2	-179.3	-58	174	0	0	0	108.2	V830 N831	V830-I836 WeakPolarHBondContact CA-O 3.21Å; N831-I836 PolarHBondContact N-O 2.92Å; N831-I836 PolarHBondContact OD1-N 2.99Å; N831-I836 PolarHBondContact OD1-O 3.39Å
837	L	96.8	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	156.9	165.3	67.9	78	0	0	0	111.4	H756 L781 Y802 Q805 L806 I828 L829 V830	H756-L837 HydrophobicContact CB-CD1 4.32Å; H756-L837 PolarHBondContact ND1-O 3.49Å; H756-L837 VanDerWaalsContact ND1-O 3.09Å; L781-L837 HydrophobicContact CD1-CD2 4.48Å; Y802-L837 HydrophobicContact CD1-CD2 3.73Å; Y802-L837 HydrophobicContact CD1-CG 4.43Å; Y802-L837 HydrophobicContact CG-CD2 3.72Å; Q805-L837 HydrophobicContact CB-CD1 3.8Å; Q805-L837 HydrophobicContact CB-CD2 4.13Å; Q805-L837 HydrophobicContact CB-CG 3.72Å; L806-L837 HydrophobicContact CD1-CD2 4.49Å; L806-L837 HydrophobicContact CD2-CD1 3.93Å; L806-L837 HydrophobicContact CD2-CD2 4.28Å; L806-L837 HydrophobicContact CG-CD1 4.21Å; L806-L837 HydrophobicContact CG-CD2 3.96Å; I828-L837 HydrophobicContact CG2-CB 3.92Å; I828-L837 HydrophobicContact CG2-CD1 4.1Å; I828-L837 HydrophobicContact CG2-CD2 4.04Å; I828-L837 HydrophobicContact CG2-CG 4.24Å; L829-L837 CarbonylContact O-C 3.56Å; L829-L837 WeakPolarHBondContact O-CA 3.48Å; L829-L837 WeakPolarHBondContact O-CB 3.23Å; V830-L837 HydrophobicContact CG1-CB 3.98Å
838	K	97.3	Very high	93.2	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.9	167.9	-60.9	-63.8	-176	92.1	0	109.1	D753 H756 E775 L777 L829	D753-K838 IonicContact OD1-NZ 2.77Å; D753-K838 PolarHBondContact OD1-NZ 2.93Å; D753-K838 WeakPolarHBondContact OD2-CE 3.37Å; D753-K838 IonicContact OD2-NZ 3.11Å; D753-K838 PolarHBondContact OD2-NZ 3.48Å; H756-K838 WeakPolarHBondContact O-CA 3.3Å; E775-K838 WeakPolarHBondContact OE1-CG 3.33Å; E775-K838 IonicContact OE1-NZ 2.69Å; E775-K838 PolarHBondContact OE1-NZ 2.7Å; E775-K838 IonicContact OE2-NZ 3.37Å; E775-K838 PolarHBondContact OE2-NZ 2.68Å; L777-K838 HydrophobicContact CD1-CB 3.75Å; L777-K838 HydrophobicContact CD1-CG 3.84Å; L777-K838 HydrophobicContact CD2-CG 4.3Å; L829-K838 PolarHBondContact N-O 3.26Å; L829-K838 PolarHBondContact O-N 3.21Å
839	L	97.4	Very high	92.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.8	170.8	-176.9	62.5	0	0	0	109.6	H756 L758 A809 L813 H820 I823 I828	H756-L839 PolarHBondContact O-N 2.61Å; L758-L839 WeakPolarHBondContact CB-O 3.27Å; L758-L839 PolarHBondContact N-O 3Å; A809-L839 HydrophobicContact CB-CB 4.15Å; A809-L839 HydrophobicContact CB-CD2 3.9Å; L813-L839 HydrophobicContact CD1-CD2 3.76Å; H820-L839 VanDerWaalsContact CD2-CD2 3.41Å; H820-L839 WeakPolarHBondContact CD2-CD2 3.18Å; H820-L839 WeakPolarHBondContact CD2-CG 3.46Å; H820-L839 WeakPolarHBondContact NE2-CD1 3.45Å; H820-L839 WeakPolarHBondContact NE2-CG 3.44Å; I823-L839 HydrophobicContact CD1-CD1 4.5Å; I823-L839 HydrophobicContact CD1-CD2 4.11Å; I823-L839 HydrophobicContact CG1-CD1 4.19Å; I823-L839 HydrophobicContact CG2-CD1 4.13Å; I828-L839 HydrophobicContact CG1-CD1 3.95Å
840	C	93.8	Very high	92.2	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.074	25%	0.252	C	S	.	.			trans	-142.5	172.4	-170	65.4	0	0	0	0	113.7	L758 H820 N827 L829	L758-C840 HydrophobicContact CB-CB 3.99Å; L758-C840 HydrophobicContact CD2-CB 3.71Å; L758-C840 HydrophobicContact CG-CB 4.34Å; H820-C840 PolarHBondContact CE1-O 3.36Å; H820-C840 PolarHBondContact NE2-O 2.88Å; H820-C840 VanDerWaalsContact NE2-O 3.14Å; N827-C840 PolarHBondContact O-N 3.17Å; N827-C840 VanDerWaalsContact O-N 3.15Å; N827-C840 PolarHBondContact O-SG 3.03Å; L829-C840 HydrophobicContact CD1-CB 4.06Å
841	D	90.2	Very high	91.4	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.182	26%	0.261	C	S	.	.			trans	66.9	76	-176.6	-163.8	31.2	0	0	0	113.3	K724 H820 G843	K724-D841 IonicContact NZ-OD1 3.39Å; K724-D841 PolarHBondContact NZ-OD1 3.43Å; H820-D841 PolarHBondContact CE1-O 3.05Å; D841-G843 PolarHBondContact O-N 3.12Å
842	F	92.1	Very high	90.8	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-86.9	14.7	179.3	-62.3	-84.8	0	0	0	112.5	E739 L743 L746 C757 L813 H820 S844 A845	E739-F842 HydrophobicContact CB-CB 4.46Å; E739-F842 HydrophobicContact CG-CB 4.11Å; E739-F842 PolarHBondContact OE1-N 2.94Å; E739-F842 VanDerWaalsContact OE1-N 3.07Å; L743-F842 HydrophobicContact CD2-CD2 3.56Å; L743-F842 HydrophobicContact CD2-CE2 3.71Å; L743-F842 HydrophobicContact CG-CD2 3.92Å; L746-F842 HydrophobicContact CD1-CD1 4.1Å; L746-F842 HydrophobicContact CD1-CE1 3.62Å; L746-F842 HydrophobicContact CD1-CE2 4.2Å; L746-F842 HydrophobicContact CD1-CZ 3.68Å; C757-F842 HydrophobicContact CB-CZ 4.32Å; L813-F842 HydrophobicContact CD2-CE1 3.84Å; H820-F842 AromaticContact CD2-CD1 3.88Å; H820-F842 AromaticContact CD2-CE1 3.47Å; H820-F842 VanDerWaalsContact CD2-CE1 3.47Å; H820-F842 WeakPolarHBondContact CD2-CE1 3.45Å; H820-F842 AromaticContact NE2-CE1 3.96Å; F842-S844 VanDerWaalsContact C-N 3.25Å; F842-S844 PolarHBondContact O-N 2.91Å; F842-A845 HydrophobicContact CB-CB 4.02Å; F842-A845 HydrophobicContact CD1-CB 4.21Å; F842-A845 VanDerWaalsContact O-CB 3.22Å; F842-A845 WeakPolarHBondContact O-CB 3.49Å; F842-A845 PolarHBondContact O-N 3.4Å; F842-A845 VanDerWaalsContact O-N 3.07Å
843	G	87	Confident	90.5	Very high	23 Å²	23	42.5 Å²	42.5	24%	0.237	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-63	-28.2	175.8	0	0	0	0	0	113.8	T735 D841	T735-G843 WeakPolarHBondContact CG2-O 3.18Å; D841-G843 PolarHBondContact O-N 3.12Å
844	S	89.7	Confident	90.4	Very high	36 Å²	36	39.9 Å²	39.9	25%	0.252	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-90.7	0.4	173.3	-67.1	0	0	0	0	114.2	Y177 F842	Y177-S844 PolarHBondContact OH-OG 2.92Å; F842-S844 VanDerWaalsContact C-N 3.25Å; F842-S844 PolarHBondContact O-N 2.91Å
845	A	92.4	Very high	90	Very high	9 Å²	9	36.5 Å²	36.5	7%	0.074	22%	0.223	C	C	.	.			trans	-74.6	153.5	-172.9	0	0	0	0	0	112.7	F742 I818 L819 F842	F742-A845 HydrophobicContact CD2-CB 3.66Å; F742-A845 HydrophobicContact CE2-CB 3.77Å; F742-A845 VanDerWaalsContact CE2-O 3.25Å; F742-A845 WeakPolarHBondContact CE2-O 3.43Å; F742-A845 HydrophobicContact CG-CB 4.46Å; I818-A845 HydrophobicContact CG2-CB 4.17Å; L819-A845 WeakPolarHBondContact O-CA 3.36Å; L819-A845 VanDerWaalsContact O-CB 3.24Å; L819-A845 WeakPolarHBondContact O-CB 3.49Å; F842-A845 HydrophobicContact CB-CB 4.02Å; F842-A845 HydrophobicContact CD1-CB 4.21Å; F842-A845 VanDerWaalsContact O-CB 3.22Å; F842-A845 WeakPolarHBondContact O-CB 3.49Å; F842-A845 PolarHBondContact O-N 3.4Å; F842-A845 VanDerWaalsContact O-N 3.07Å
846	S	92.3	Very high	89.8	Confident	19 Å²	19	38.9 Å²	38.9	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.8	177.6	76.8	0	0	0	0	112.4	I818 L819	I818-S846 WeakPolarHBondContact CA-O 3.44Å; L819-S846 PolarHBondContact N-O 2.7Å; L819-S846 PolarHBondContact O-N 3.42Å; L819-S846 VanDerWaalsContact O-N 3.12Å
847	H	91.9	Very high	89.5	Confident	37 Å²	37	36.5 Å²	36.5	17%	0.171	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	146.5	161.4	-84	-31.8	0	0	0	111	F742 K745 N817 A849 D850 N851	F742-H847 AromaticContact CE1-CE1 3.63Å; F742-H847 AromaticContact CE1-ND1 3.88Å; F742-H847 AromaticContact CE1-NE2 3.83Å; K745-H847 PolarHBondContact NZ-CE1 3.12Å; K745-H847 PolarHBondContact NZ-NE2 3.03Å; N817-H847 PolarHBondContact O-ND1 3.43Å; H847-A849 PolarHBondContact O-N 3.28Å; H847-D850 PolarHBondContact O-N 2.68Å; H847-N851 PolarHBondContact O-OD1 2.89Å
848	V	89.3	Confident	89.3	Confident	34 Å²	34	36.9 Å²	36.9	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.5	-177	-176.7	0	0	0	0	112.5	N817 L819 N851 Y875	N817-V848 PolarHBondContact O-N 3.17Å; L819-V848 HydrophobicContact CD1-CG2 4.41Å; L819-V848 HydrophobicContact CD2-CG2 3.81Å; L819-V848 HydrophobicContact CG-CG2 3.74Å; V848-N851 PolarHBondContact O-ND2 2.85Å; V848-N851 VanDerWaalsContact O-ND2 3.15Å; V848-Y875 HydrophobicContact CG1-CE2 4.42Å; V848-Y875 HydrophobicContact CG2-CD1 4.23Å; V848-Y875 HydrophobicContact CG2-CE1 3.49Å; V848-Y875 VanDerWaalsContact CG2-CE1 3.49Å; V848-Y875 HydrophobicContact CG2-CE2 4.36Å
849	A	87.3	Confident	89.2	Confident	95 Å²	95	37.9 Å²	37.9	79%	0.785	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-31.4	168.7	0	0	0	0	0	112	H847 N851	H847-A849 PolarHBondContact O-N 3.28Å; A849-N851 VanDerWaalsContact C-N 3.27Å; A849-N851 PolarHBondContact O-N 3.46Å
850	D	84.6	Confident	89.1	Confident	80 Å²	80	41.6 Å²	41.6	43%	0.428	24%	0.236	S	C	.	.			trans	-94.1	41.6	-170.7	-48.8	-10.3	0	0	0	110.7	H847 D852	H847-D850 PolarHBondContact O-N 2.68Å; D850-D852 PolarHBondContact O-N 2.97Å
851	N	78.1	Confident	89.2	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.193	25%	0.246	C	C	.	.			trans	-84.3	76.1	-171	-80.1	-8.2	0	0	0	112.5	L819 H847 V848 A849 I853 Y873	L819-N851 WeakPolarHBondContact CD1-OD1 3.35Å; H847-N851 PolarHBondContact O-OD1 2.89Å; V848-N851 PolarHBondContact O-ND2 2.85Å; V848-N851 VanDerWaalsContact O-ND2 3.15Å; A849-N851 VanDerWaalsContact C-N 3.27Å; A849-N851 PolarHBondContact O-N 3.46Å; N851-I853 PolarHBondContact O-N 2.9Å; N851-Y873 HydrophobicContact CB-CE1 4.36Å; N851-Y873 HydrophobicContact CB-CE2 3.97Å; N851-Y873 VanDerWaalsContact CG-CE2 3.48Å; N851-Y873 PolarHBondContact ND2-O 3.43Å; N851-Y873 WeakPolarHBondContact OD1-CE2 3.5Å
852	D	82.2	Confident	89.6	Confident	98 Å²	98	42.9 Å²	42.9	52%	0.524	24%	0.239	S	C	.	.			trans	-58.7	119.2	171.6	-70.6	-40.5	0	0	0	111.8	M170 D850 T854 Y873	M170-D852 HydrophobicContact CE-CB 4.24Å; M170-D852 HydrophobicContact SD-CB 4.3Å; D850-D852 PolarHBondContact O-N 2.97Å; D852-T854 PolarHBondContact O-N 3.35Å; D852-Y873 PolarHBondContact O-OH 2.96Å
853	I	85.1	Confident	89.8	Confident	63 Å²	63	43.4 Å²	43.4	32%	0.323	24%	0.241	S	C	.	.			trans	-78.9	83.9	-176.3	-52.4	177.2	0	0	0	110.4	N851 P872 L924 F925	N851-I853 PolarHBondContact O-N 2.9Å; I853-P872 HydrophobicContact CD1-CG 4.1Å; I853-L924 HydrophobicContact CB-CD1 4.31Å; I853-L924 HydrophobicContact CD1-CD1 3.9Å; I853-L924 HydrophobicContact CG2-CD1 4.01Å; I853-F925 HydrophobicContact CG2-CE2 4.04Å; I853-F925 HydrophobicContact CG2-CZ 4.33Å; I853-F925 WeakPolarHBondContact O-CZ 3.2Å
854	T	89.2	Confident	90.3	Very high	24 Å²	24	42.3 Å²	42.3	15%	0.147	23%	0.229	C	C	.	.			trans	-109.2	136.1	172.6	172.9	0	0	0	0	111.5	D852 Y856 L857 I867	D852-T854 PolarHBondContact O-N 3.35Å; T854-Y856 PolarHBondContact O-N 2.89Å; T854-Y856 VanDerWaalsContact O-N 3.15Å; T854-Y856 PolarHBondContact OG1-N 3.24Å; T854-L857 HydrophobicContact CG2-CB 4.12Å; T854-I867 WeakPolarHBondContact O-CG2 3.43Å
855	P	85.1	Confident	90.6	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	4.7	178.8	31.9	-31.8	0	0	0	113.3	R863 N901 F925	P855-R863 PolarHBondContact O-NH1 2.88Å; P855-N901 PolarHBondContact O-ND2 2.89Å; P855-F925 HydrophobicContact CB-CD2 3.64Å; P855-F925 HydrophobicContact CB-CE2 3.78Å; P855-F925 HydrophobicContact CB-CG 4.46Å; P855-F925 VanDerWaalsContact CD-CE2 3.47Å; P855-F925 HydrophobicContact CG-CD2 4.02Å; P855-F925 HydrophobicContact CG-CE2 3.84Å; P855-F925 HydrophobicContact CG-CZ 4.29Å
856	Y	88.8	Confident	90.8	Very high	126 Å²	126	40.2 Å²	40.2	49%	0.494	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-0.5	-170.7	-60.6	-61.4	0	0	0	114.6	L174 T854 R863	L174-Y856 WeakPolarHBondContact CD1-O 3.31Å; L174-Y856 VanDerWaalsContact CD2-O 3.3Å; L174-Y856 WeakPolarHBondContact CD2-O 3.25Å; T854-Y856 PolarHBondContact O-N 2.89Å; T854-Y856 VanDerWaalsContact O-N 3.15Å; T854-Y856 PolarHBondContact OG1-N 3.24Å; Y856-R863 PolarHBondContact O-NH2 3.44Å
857	L	89.6	Confident	91	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.12	21%	0.209	C	C	.	.			trans	-59	149.9	171	-165.6	65.9	0	0	0	110.9	A821 T854 R863 I867 Y873 I877	A821-L857 HydrophobicContact CB-CD1 3.89Å; A821-L857 HydrophobicContact CB-CD2 3.98Å; A821-L857 HydrophobicContact CB-CG 3.92Å; T854-L857 HydrophobicContact CG2-CB 4.12Å; L857-R863 WeakPolarHBondContact O-CD 3.32Å; L857-R863 WeakPolarHBondContact O-CG 3.46Å; L857-R863 PolarHBondContact O-NE 2.96Å; L857-I867 HydrophobicContact CB-CD1 4.36Å; L857-I867 HydrophobicContact CB-CG2 4.01Å; L857-I867 HydrophobicContact CD2-CD1 4.05Å; L857-Y873 HydrophobicContact CD2-CE1 4.49Å; L857-Y873 HydrophobicContact CD2-CE2 3.82Å; L857-I877 HydrophobicContact CD2-CD1 4Å
858	V	92.5	Very high	91.2	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	20%	0.201	C	C	.	.	S	Bend	trans	65.6	138.3	-174	-157.9	0	0	0	0	114.3	A821 R860 R863 I877	A821-V858 WeakPolarHBondContact O-CA 3.27Å; A821-V858 WeakPolarHBondContact O-CB 3.46Å; A821-V858 WeakPolarHBondContact O-CG2 3.38Å; A821-V858 PolarHBondContact O-N 3.34Å; V858-R860 PolarHBondContact O-N 2.87Å; V858-R863 HydrophobicContact CB-CB 4.22Å; V858-R863 HydrophobicContact CB-CG 4.41Å; V858-R863 VanDerWaalsContact O-CZ 3.29Å; V858-R863 PolarHBondContact O-NE 3.32Å; V858-R863 PolarHBondContact O-NH2 2.85Å; V858-I877 HydrophobicContact CG2-CD1 4.5Å
859	S	94.3	Very high	91.5	Very high	25 Å²	25	36.1 Å²	36.1	18%	0.175	19%	0.191	C	C	.	.			trans	-50.4	129.6	167.9	-67.8	0	0	0	0	111.6	D822 K824 F861 Y862 R863	D822-S859 WeakPolarHBondContact OD1-CB 3.25Å; D822-S859 PolarHBondContact OD1-N 3.19Å; D822-S859 PolarHBondContact OD1-OG 3.14Å; D822-S859 PolarHBondContact OD2-OG 2.68Å; K824-S859 WeakPolarHBondContact CD-OG 3.48Å; K824-S859 PolarHBondContact NZ-OG 3.34Å; S859-F861 PolarHBondContact O-N 2.87Å; S859-Y862 PolarHBondContact O-N 3.23Å; S859-R863 PolarHBondContact O-N 3.18Å
860	R	95.3	Very high	91.8	Very high	77 Å²	77	31.7 Å²	31.7	29%	0.291	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-42.5	-51.1	-163.8	-171.2	-172.1	-71	95.4	-0.9	114.9	N178 V858 Y862 R863 G898 S899 M904	N178-R860 PolarHBondContact OD1-NH2 2.85Å; V858-R860 PolarHBondContact O-N 2.87Å; R860-Y862 VanDerWaalsContact C-N 3.26Å; R860-Y862 PolarHBondContact O-N 3.45Å; R860-R863 WeakPolarHBondContact O-CB 3.24Å; R860-R863 PolarHBondContact O-N 2.91Å; R860-G898 WeakPolarHBondContact CD-O 3.49Å; R860-S899 PolarHBondContact NE-O 3.33Å; R860-M904 HydrophobicContact CG-CG 3.95Å; R860-M904 HydrophobicContact CG-SD 4.41Å; R860-M904 WeakPolarHBondContact O-CE 3.38Å
861	F	96.9	Very high	92.3	Very high	67 Å²	67	29.3 Å²	29.3	29%	0.294	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-70.2	-17.8	-174.5	-49.7	-45.3	0	0	0	114.8	S859 I894 L896 G898 M904	S859-F861 PolarHBondContact O-N 2.87Å; F861-I894 HydrophobicContact CB-CG2 3.66Å; F861-I894 HydrophobicContact CD1-CG2 4.42Å; F861-I894 HydrophobicContact CD2-CD1 3.89Å; F861-I894 HydrophobicContact CD2-CG2 4.16Å; F861-I894 HydrophobicContact CE2-CD1 4.02Å; F861-I894 HydrophobicContact CG-CG2 3.85Å; F861-L896 WeakPolarHBondContact CD1-O 3.46Å; F861-G898 WeakPolarHBondContact CE1-O 3.38Å; F861-M904 HydrophobicContact CD1-SD 4.39Å
862	Y	97.4	Very high	93	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-103.7	-5.2	178.4	-50.1	-84.5	0	0	0	111.7	R782 K824 P825 S859 R860 W880 S881 C884 E888	R782-Y862 PolarHBondContact NH2-OH 2.9Å; K824-Y862 HydrophobicContact CB-CD1 4.3Å; K824-Y862 HydrophobicContact CB-CD2 3.66Å; K824-Y862 HydrophobicContact CB-CE1 4.25Å; K824-Y862 HydrophobicContact CB-CE2 3.59Å; K824-Y862 HydrophobicContact CB-CG 4.05Å; P825-Y862 WeakPolarHBondContact CD-OH 3.37Å; P825-Y862 HydrophobicContact CG-CE1 4.49Å; S859-Y862 PolarHBondContact O-N 3.23Å; R860-Y862 VanDerWaalsContact C-N 3.26Å; R860-Y862 PolarHBondContact O-N 3.45Å; Y862-W880 VanDerWaalsContact O-CD1 3.26Å; Y862-S881 PolarHBondContact O-OG 3.33Å; Y862-C884 HydrophobicContact CD1-CB 3.78Å; Y862-C884 HydrophobicContact CE1-CB 4.38Å; Y862-E888 VanDerWaalsContact CE1-OE2 3.25Å; Y862-E888 WeakPolarHBondContact CE1-OE2 3.42Å; Y862-E888 VanDerWaalsContact CZ-OE2 3.31Å; Y862-E888 PolarHBondContact OH-OE1 3.33Å; Y862-E888 PolarHBondContact OH-OE2 3.08Å
863	R	97.3	Very high	93.5	Very high	11 Å²	11	27.7 Å²	27.7	4%	0.042	14%	0.135	C	C	.	.			trans	-63.3	132.4	-176.8	-170.4	174.8	-66.8	157.2	0.7	112.3	P855 Y856 L857 V858 S859 R860 I867 I868 W880 N901	P855-R863 PolarHBondContact O-NH1 2.88Å; Y856-R863 PolarHBondContact O-NH2 3.44Å; L857-R863 WeakPolarHBondContact O-CD 3.32Å; L857-R863 WeakPolarHBondContact O-CG 3.46Å; L857-R863 PolarHBondContact O-NE 2.96Å; V858-R863 HydrophobicContact CB-CB 4.22Å; V858-R863 HydrophobicContact CB-CG 4.41Å; V858-R863 VanDerWaalsContact O-CZ 3.29Å; V858-R863 PolarHBondContact O-NE 3.32Å; V858-R863 PolarHBondContact O-NH2 2.85Å; S859-R863 PolarHBondContact O-N 3.18Å; R860-R863 WeakPolarHBondContact O-CB 3.24Å; R860-R863 PolarHBondContact O-N 2.91Å; R863-I867 HydrophobicContact CG-CB 3.99Å; R863-I867 HydrophobicContact CG-CG2 3.89Å; R863-I868 HydrophobicContact CG-CD1 4.3Å; R863-I868 HydrophobicContact CG-CG1 3.85Å; R863-W880 PolarHBondContact O-NE1 3.43Å; R863-N901 PolarHBondContact NH1-OD1 3.18Å
864	A	97.2	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.			trans	-80	146	180	0	0	0	0	0	112.1	E866 I867 I868 I877 W880	A864-E866 VanDerWaalsContact C-N 3.25Å; A864-E866 WeakPolarHBondContact CB-OE2 3.38Å; A864-E866 PolarHBondContact O-N 3.42Å; A864-I867 HydrophobicContact CB-CG1 4.48Å; A864-I867 WeakPolarHBondContact O-CB 3.49Å; A864-I867 PolarHBondContact O-N 3.38Å; A864-I868 PolarHBondContact O-N 3.02Å; A864-I877 HydrophobicContact CB-CB 4.07Å; A864-I877 HydrophobicContact CB-CG2 3.97Å; A864-W880 HydrophobicContact CB-CB 3.96Å; A864-W880 HydrophobicContact CB-CD2 4.44Å; A864-W880 HydrophobicContact CB-CG 3.81Å
865	P	96.8	Very high	94.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-25.3	-173.3	23.6	-34	0	0	0	114.3	I868 I869 W880 L905 M915 M919 L993	P865-I868 PolarHBondContact O-N 3.29Å; P865-I869 WeakPolarHBondContact O-CG1 3.35Å; P865-I869 PolarHBondContact O-N 3.27Å; P865-W880 HydrophobicContact CG-CE3 4.38Å; P865-W880 HydrophobicContact CG-CH2 4.05Å; P865-W880 HydrophobicContact CG-CZ2 4.34Å; P865-W880 HydrophobicContact CG-CZ3 4.05Å; P865-L905 HydrophobicContact CB-CD2 3.81Å; P865-M915 HydrophobicContact CB-CE 3.9Å; P865-M919 HydrophobicContact CB-CE 4.02Å; P865-M919 HydrophobicContact CG-CE 4.11Å; P865-L993 HydrophobicContact CG-CD2 4.16Å
866	E	96.2	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-32.5	173.5	64	-89.4	-136.9	0	0	113.4	A864 G870 K871 I877 M919 P995 R998	A864-E866 VanDerWaalsContact C-N 3.25Å; A864-E866 WeakPolarHBondContact CB-OE2 3.38Å; A864-E866 PolarHBondContact O-N 3.42Å; E866-G870 PolarHBondContact O-N 2.98Å; E866-K871 HydrophobicContact CB-CB 4.09Å; E866-K871 HydrophobicContact CB-CD 4.01Å; E866-K871 HydrophobicContact CB-CG 4.42Å; E866-K871 PolarHBondContact O-N 2.73Å; E866-I877 HydrophobicContact CG-CG2 4.12Å; E866-M919 HydrophobicContact CB-CE 4.02Å; E866-P995 HydrophobicContact CG-CG 4.39Å; E866-P995 WeakPolarHBondContact OE1-CB 3.33Å; E866-R998 IonicContact OE1-CZ 2.71Å; E866-R998 IonicContact OE1-NH1 3.6Å; E866-R998 PolarHBondContact OE1-NH1 3.24Å; E866-R998 IonicContact OE1-NH2 3.69Å; E866-R998 PolarHBondContact OE1-NH2 3.25Å; E866-R998 IonicContact OE2-CZ 2.72Å; E866-R998 IonicContact OE2-NH1 2.68Å; E866-R998 PolarHBondContact OE2-NH1 3.49Å; E866-R998 IonicContact OE2-NH2 3.66Å; E866-R998 PolarHBondContact OE2-NH2 3.19Å
867	I	95.9	Very high	95.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-51.4	173.4	-62.5	-58	0	0	0	108.6	T854 L857 R863 A864 I869 G870 Y873 I877	T854-I867 WeakPolarHBondContact O-CG2 3.43Å; L857-I867 HydrophobicContact CB-CD1 4.36Å; L857-I867 HydrophobicContact CB-CG2 4.01Å; L857-I867 HydrophobicContact CD2-CD1 4.05Å; R863-I867 HydrophobicContact CG-CB 3.99Å; R863-I867 HydrophobicContact CG-CG2 3.89Å; A864-I867 HydrophobicContact CB-CG1 4.48Å; A864-I867 WeakPolarHBondContact O-CB 3.49Å; A864-I867 PolarHBondContact O-N 3.38Å; I867-I869 PolarHBondContact O-N 2.89Å; I867-G870 PolarHBondContact O-N 2.85Å; I867-Y873 HydrophobicContact CD1-CD1 3.39Å; I867-Y873 HydrophobicContact CD1-CD2 4Å; I867-Y873 HydrophobicContact CD1-CE1 3.8Å; I867-Y873 HydrophobicContact CD1-CE2 4.36Å; I867-Y873 HydrophobicContact CD1-CG 3.49Å; I867-Y873 VanDerWaalsContact CD1-CG 3.49Å; I867-I877 HydrophobicContact CD1-CD1 4.37Å; I867-I877 HydrophobicContact CD1-CG2 3.99Å; I867-I877 HydrophobicContact CG1-CG2 4.04Å
868	I	96.3	Very high	95.6	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-44.3	-174.2	-59	171.7	0	0	0	111.6	R863 A864 P865 G870 N901 M904 L905 H929	R863-I868 HydrophobicContact CG-CD1 4.3Å; R863-I868 HydrophobicContact CG-CG1 3.85Å; A864-I868 PolarHBondContact O-N 3.02Å; P865-I868 PolarHBondContact O-N 3.29Å; I868-G870 VanDerWaalsContact C-N 3.26Å; I868-G870 PolarHBondContact O-N 3.08Å; I868-N901 HydrophobicContact CG2-CB 3.69Å; I868-M904 HydrophobicContact CD1-CB 3.65Å; I868-M904 HydrophobicContact CD1-CG 4.49Å; I868-L905 HydrophobicContact CB-CD1 4.48Å; I868-L905 HydrophobicContact CB-CD2 4.21Å; I868-L905 HydrophobicContact CB-CG 4.26Å; I868-L905 HydrophobicContact CD1-CD2 4.2Å; I868-L905 HydrophobicContact CD1-CG 4.26Å; I868-L905 HydrophobicContact CG2-CD1 3.77Å; I868-L905 HydrophobicContact CG2-CD2 4.28Å; I868-L905 HydrophobicContact CG2-CG 3.78Å; I868-H929 WeakPolarHBondContact CG2-NE2 3.34Å
869	I	95.3	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.9	176.8	71	179.5	0	0	0	113.6	P865 I867 K871 L905 M915 M919 G923 L924 F925 F930	P865-I869 WeakPolarHBondContact O-CG1 3.35Å; P865-I869 PolarHBondContact O-N 3.27Å; I867-I869 PolarHBondContact O-N 2.89Å; I869-K871 HydrophobicContact CD1-CB 3.92Å; I869-K871 HydrophobicContact CG1-CB 3.86Å; I869-L905 HydrophobicContact CG2-CD1 3.92Å; I869-L905 HydrophobicContact CG2-CD2 4.41Å; I869-M915 HydrophobicContact CD1-SD 3.85Å; I869-M915 HydrophobicContact CG2-CE 3.99Å; I869-M915 HydrophobicContact CG2-SD 4.15Å; I869-M919 HydrophobicContact CD1-CE 3.78Å; I869-M919 HydrophobicContact CD1-CG 3.62Å; I869-G923 CarbonylContact O-C 3.55Å; I869-G923 WeakPolarHBondContact O-CA 3.16Å; I869-L924 PolarHBondContact O-N 2.95Å; I869-L924 VanDerWaalsContact O-N 3.09Å; I869-F925 PolarHBondContact O-N 3.48Å; I869-F930 HydrophobicContact CG2-CE2 4.16Å
870	G	94.3	Very high	96	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	40.5	-175.9	0	0	0	0	0	113.6	E866 I867 I868 L924	E866-G870 PolarHBondContact O-N 2.98Å; I867-G870 PolarHBondContact O-N 2.85Å; I868-G870 VanDerWaalsContact C-N 3.26Å; I868-G870 PolarHBondContact O-N 3.08Å; G870-L924 PolarHBondContact O-N 3.43Å
871	K	94.6	Very high	96.2	Very high	30 Å²	30	16.2 Å²	16.2	13%	0.13	8%	0.084	C	C	.	.			trans	-90.8	136	170.7	170.3	-161.7	151.7	-67	0	108.3	E866 I869 Y873 M919 K922 P995	E866-K871 HydrophobicContact CB-CB 4.09Å; E866-K871 HydrophobicContact CB-CD 4.01Å; E866-K871 HydrophobicContact CB-CG 4.42Å; E866-K871 PolarHBondContact O-N 2.73Å; I869-K871 HydrophobicContact CD1-CB 3.92Å; I869-K871 HydrophobicContact CG1-CB 3.86Å; K871-Y873 PolarHBondContact O-N 2.86Å; K871-M919 HydrophobicContact CD-CG 4.17Å; K871-K922 HydrophobicContact CG-CB 4.24Å; K871-P995 VanDerWaalsContact NZ-CG 3.35Å
872	P	92.5	Very high	96.2	Very high	82 Å²	82	13 Å²	13	53%	0.532	7%	0.07	S	C	.	.			trans	-47.5	126.4	172.3	-29.1	34.7	0	0	0	112.6	I853	I853-P872 HydrophobicContact CD1-CG 4.1Å
873	Y	94	Very high	96.2	Very high	18 Å²	18	12.7 Å²	12.7	7%	0.071	7%	0.069	C	C	.	.			trans	-114.9	173.3	-167.4	57.4	-95.5	0	0	0	112.2	L819 N851 D852 L857 I867 K871 I877	L819-Y873 HydrophobicContact CD1-CD2 3.86Å; L819-Y873 HydrophobicContact CD1-CE2 3.64Å; N851-Y873 HydrophobicContact CB-CE1 4.36Å; N851-Y873 HydrophobicContact CB-CE2 3.97Å; N851-Y873 VanDerWaalsContact CG-CE2 3.48Å; N851-Y873 PolarHBondContact ND2-O 3.43Å; N851-Y873 WeakPolarHBondContact OD1-CE2 3.5Å; D852-Y873 PolarHBondContact O-OH 2.96Å; L857-Y873 HydrophobicContact CD2-CE1 4.49Å; L857-Y873 HydrophobicContact CD2-CE2 3.82Å; I867-Y873 HydrophobicContact CD1-CD1 3.39Å; I867-Y873 HydrophobicContact CD1-CD2 4Å; I867-Y873 HydrophobicContact CD1-CE1 3.8Å; I867-Y873 HydrophobicContact CD1-CE2 4.36Å; I867-Y873 HydrophobicContact CD1-CG 3.49Å; I867-Y873 VanDerWaalsContact CD1-CG 3.49Å; K871-Y873 PolarHBondContact O-N 2.86Å; Y873-I877 HydrophobicContact CD2-CD1 3.95Å; Y873-I877 HydrophobicContact CD2-CG2 4.38Å; Y873-I877 HydrophobicContact CE2-CD1 4.25Å; Y873-I877 HydrophobicContact CG-CG2 4.38Å
874	D	94.4	Very high	96.3	Very high	62 Å²	62	12.3 Å²	12.3	33%	0.332	7%	0.067	S	C	.	.			trans	-154.7	-163	179.6	80.5	-27.4	0	0	0	110.3	G876 I877	D874-G876 PolarHBondContact O-N 2.88Å; D874-G876 PolarHBondContact OD1-N 2.81Å; D874-I877 PolarHBondContact O-N 3.36Å
875	Y	95.7	Very high	96.3	Very high	35 Å²	35	12.3 Å²	12.3	14%	0.137	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-14.1	174.7	-42.5	-82.7	0	0	0	115	K814 N817 L819 V848 I877 D878 M879	K814-Y875 HydrophobicContact CB-CD1 3.89Å; K814-Y875 HydrophobicContact CB-CE1 4.02Å; K814-Y875 HydrophobicContact CB-CG 4.27Å; K814-Y875 HydrophobicContact CD-CD1 4.42Å; K814-Y875 HydrophobicContact CD-CD2 3.85Å; K814-Y875 HydrophobicContact CD-CE2 4.18Å; K814-Y875 HydrophobicContact CD-CG 3.95Å; K814-Y875 HydrophobicContact CG-CD1 3.99Å; K814-Y875 HydrophobicContact CG-CD2 4.04Å; K814-Y875 HydrophobicContact CG-CE1 3.94Å; K814-Y875 HydrophobicContact CG-CE2 3.98Å; K814-Y875 HydrophobicContact CG-CG 4.01Å; N817-Y875 PolarHBondContact ND2-OH 3.02Å; L819-Y875 HydrophobicContact CD2-CD1 3.8Å; L819-Y875 HydrophobicContact CD2-CE1 4.38Å; L819-Y875 HydrophobicContact CD2-CG 4.21Å; V848-Y875 HydrophobicContact CG1-CE2 4.42Å; V848-Y875 HydrophobicContact CG2-CD1 4.23Å; V848-Y875 HydrophobicContact CG2-CE1 3.49Å; V848-Y875 VanDerWaalsContact CG2-CE1 3.49Å; V848-Y875 HydrophobicContact CG2-CE2 4.36Å; Y875-I877 PolarHBondContact O-N 3.15Å; Y875-D878 PolarHBondContact O-N 3.36Å; Y875-M879 PolarHBondContact O-N 3.31Å
876	G	96.5	Very high	96.3	Very high	9 Å²	9	12.2 Å²	12.2	9%	0.093	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-26.9	171.2	0	0	0	0	0	114.1	D874 M879 W880 R998	D874-G876 PolarHBondContact O-N 2.88Å; D874-G876 PolarHBondContact OD1-N 2.81Å; G876-M879 PolarHBondContact O-N 2.82Å; G876-W880 PolarHBondContact O-N 3.21Å; G876-R998 VanDerWaalsContact C-NH1 3.27Å; G876-R998 PolarHBondContact O-NH1 3.45Å
877	I	96.9	Very high	96.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.4	-40.9	179.8	72.3	-179.9	0	0	0	111.9	L819 A821 L857 V858 A864 E866 I867 Y873 D874 Y875 W880 S881	L819-I877 HydrophobicContact CD1-CD1 4.18Å; A821-I877 HydrophobicContact CB-CD1 4.26Å; L857-I877 HydrophobicContact CD2-CD1 4Å; V858-I877 HydrophobicContact CG2-CD1 4.5Å; A864-I877 HydrophobicContact CB-CB 4.07Å; A864-I877 HydrophobicContact CB-CG2 3.97Å; E866-I877 HydrophobicContact CG-CG2 4.12Å; I867-I877 HydrophobicContact CD1-CD1 4.37Å; I867-I877 HydrophobicContact CD1-CG2 3.99Å; I867-I877 HydrophobicContact CG1-CG2 4.04Å; Y873-I877 HydrophobicContact CD2-CD1 3.95Å; Y873-I877 HydrophobicContact CD2-CG2 4.38Å; Y873-I877 HydrophobicContact CE2-CD1 4.25Å; Y873-I877 HydrophobicContact CG-CG2 4.38Å; D874-I877 PolarHBondContact O-N 3.36Å; Y875-I877 PolarHBondContact O-N 3.15Å; I877-W880 PolarHBondContact O-N 2.88Å; I877-S881 WeakPolarHBondContact O-CB 3.42Å; I877-S881 PolarHBondContact O-N 3.1Å; I877-S881 PolarHBondContact O-OG 2.87Å
878	D	97.6	Very high	96.4	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-69.5	-36.6	177.3	-68.2	-27.2	0	0	0	110.5	L810 H820 A821 I823 Y875 W880 S881 V882	L810-D878 HydrophobicContact CD2-CB 3.7Å; H820-D878 PolarHBondContact N-OD2 3.47Å; A821-D878 PolarHBondContact N-OD1 3.15Å; I823-D878 HydrophobicContact CD1-CB 3.69Å; Y875-D878 PolarHBondContact O-N 3.36Å; D878-W880 PolarHBondContact O-N 3.29Å; D878-S881 PolarHBondContact O-N 3.5Å; D878-V882 WeakPolarHBondContact O-CG2 3.41Å; D878-V882 PolarHBondContact O-N 2.95Å
879	M	97.9	Very high	96.4	Very high	7 Å²	7	12.5 Å²	12.5	3%	0.034	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-39.4	172.7	-177.9	59.3	71.3	0	0	112.8	F807 L810 Y875 G876 G883 T990 I999 I1001 A1004	F807-M879 HydrophobicContact CD1-CE 4.15Å; F807-M879 HydrophobicContact CD1-SD 4.22Å; F807-M879 HydrophobicContact CE1-CE 4.16Å; F807-M879 HydrophobicContact CE1-SD 3.65Å; L810-M879 HydrophobicContact CD1-CB 4.33Å; L810-M879 HydrophobicContact CD1-CE 3.84Å; L810-M879 HydrophobicContact CD1-SD 4.24Å; Y875-M879 PolarHBondContact O-N 3.31Å; G876-M879 PolarHBondContact O-N 2.82Å; M879-G883 PolarHBondContact O-N 2.65Å; M879-T990 HydrophobicContact CG-CG2 4.35Å; M879-T990 HydrophobicContact SD-CG2 3.7Å; M879-I999 HydrophobicContact SD-CG2 4.25Å; M879-I1001 HydrophobicContact CE-CB 4.23Å; M879-I1001 HydrophobicContact CE-CG1 3.48Å; M879-I1001 VanDerWaalsContact CE-CG1 3.48Å; M879-A1004 HydrophobicContact CE-CB 4.47Å
880	W	98.1	Very high	96.4	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-44.2	174.2	174.5	-81.7	0	0	0	111.5	Y862 R863 A864 P865 G876 I877 D878 V882 G883 C884 L896 A908 L991 L993	Y862-W880 VanDerWaalsContact O-CD1 3.26Å; R863-W880 PolarHBondContact O-NE1 3.43Å; A864-W880 HydrophobicContact CB-CB 3.96Å; A864-W880 HydrophobicContact CB-CD2 4.44Å; A864-W880 HydrophobicContact CB-CG 3.81Å; P865-W880 HydrophobicContact CG-CE3 4.38Å; P865-W880 HydrophobicContact CG-CH2 4.05Å; P865-W880 HydrophobicContact CG-CZ2 4.34Å; P865-W880 HydrophobicContact CG-CZ3 4.05Å; G876-W880 PolarHBondContact O-N 3.21Å; I877-W880 PolarHBondContact O-N 2.88Å; D878-W880 PolarHBondContact O-N 3.29Å; W880-V882 PolarHBondContact O-N 2.82Å; W880-G883 CarbonylContact O-C 3.58Å; W880-G883 VanDerWaalsContact O-CA 3.3Å; W880-G883 WeakPolarHBondContact O-CA 3.43Å; W880-G883 PolarHBondContact O-N 2.93Å; W880-C884 PolarHBondContact O-N 3.09Å; W880-L896 HydrophobicContact CZ2-CD1 3.71Å; W880-A908 HydrophobicContact CH2-CB 4.09Å; W880-A908 HydrophobicContact CZ2-CB 4.24Å; W880-L991 HydrophobicContact CD2-CD2 4.16Å; W880-L991 HydrophobicContact CE3-CB 4.49Å; W880-L991 HydrophobicContact CE3-CD2 4.21Å; W880-L991 HydrophobicContact CZ2-CD2 4.49Å; W880-L991 VanDerWaalsContact CZ3-C 3.49Å; W880-L991 HydrophobicContact CZ3-CB 4.19Å; W880-L991 HydrophobicContact CZ3-CD2 4.39Å; W880-L991 WeakPolarHBondContact CZ3-O 3.03Å; W880-L993 HydrophobicContact CH2-CD2 3.94Å; W880-L993 HydrophobicContact CZ3-CD2 4.23Å
881	S	98.2	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-40.8	178.7	-53.9	0	0	0	0	112.1	Y862 I877 D878 G883 C884 T885	Y862-S881 PolarHBondContact O-OG 3.33Å; I877-S881 WeakPolarHBondContact O-CB 3.42Å; I877-S881 PolarHBondContact O-N 3.1Å; I877-S881 PolarHBondContact O-OG 2.87Å; D878-S881 PolarHBondContact O-N 3.5Å; S881-G883 VanDerWaalsContact C-N 3.35Å; S881-C884 PolarHBondContact O-N 2.98Å; S881-T885 WeakPolarHBondContact O-CB 3.44Å; S881-T885 PolarHBondContact O-N 3Å; S881-T885 PolarHBondContact O-OG1 3.03Å
882	V	98.1	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-39.2	169.1	169.7	0	0	0	0	111.3	L806 F807 L810 I823 D878 W880 T885 L886	L806-V882 HydrophobicContact CB-CG1 4.19Å; L806-V882 HydrophobicContact CB-CG2 4.34Å; L806-V882 HydrophobicContact CD1-CG1 4.29Å; F807-V882 HydrophobicContact CD1-CG1 4.2Å; F807-V882 HydrophobicContact CE1-CG1 3.62Å; F807-V882 HydrophobicContact CZ-CG1 4.22Å; L810-V882 HydrophobicContact CD1-CB 4.48Å; L810-V882 HydrophobicContact CD1-CG2 4.03Å; L810-V882 HydrophobicContact CD2-CG2 4.22Å; L810-V882 HydrophobicContact CG-CG2 4.27Å; I823-V882 HydrophobicContact CD1-CG2 4.15Å; I823-V882 HydrophobicContact CG2-CG2 3.99Å; D878-V882 WeakPolarHBondContact O-CG2 3.41Å; D878-V882 PolarHBondContact O-N 2.95Å; W880-V882 PolarHBondContact O-N 2.82Å; V882-T885 PolarHBondContact O-N 2.73Å; V882-L886 HydrophobicContact CG1-CD1 3.92Å; V882-L886 HydrophobicContact CG1-CG 4.05Å; V882-L886 WeakPolarHBondContact O-CB 3.11Å; V882-L886 VanDerWaalsContact O-CG 3.3Å; V882-L886 WeakPolarHBondContact O-CG 3.39Å; V882-L886 PolarHBondContact O-N 2.88Å
883	G	97.4	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56	-52.2	173.1	0	0	0	0	0	113.2	M879 W880 S881 T885 L886 Y887 L987	M879-G883 PolarHBondContact O-N 2.65Å; W880-G883 CarbonylContact O-C 3.58Å; W880-G883 VanDerWaalsContact O-CA 3.3Å; W880-G883 WeakPolarHBondContact O-CA 3.43Å; W880-G883 PolarHBondContact O-N 2.93Å; S881-G883 VanDerWaalsContact C-N 3.35Å; G883-T885 VanDerWaalsContact C-N 3.34Å; G883-T885 PolarHBondContact O-N 2.83Å; G883-L886 PolarHBondContact O-N 2.99Å; G883-Y887 PolarHBondContact O-N 2.97Å; G883-L987 WeakPolarHBondContact O-CD2 3.33Å
884	C	97.9	Very high	96.4	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-45.5	174.4	-70.6	0	0	0	0	111.8	Y862 W880 S881 L886 Y887 E888	Y862-C884 HydrophobicContact CD1-CB 3.78Å; Y862-C884 HydrophobicContact CE1-CB 4.38Å; W880-C884 PolarHBondContact O-N 3.09Å; S881-C884 PolarHBondContact O-N 2.98Å; C884-L886 PolarHBondContact O-N 3.46Å; C884-Y887 PolarHBondContact O-N 2.8Å; C884-E888 PolarHBondContact O-N 2.99Å; C884-E888 VanDerWaalsContact O-N 3.16Å
885	T	97.8	Very high	96.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-40.9	179.5	-60.9	0	0	0	0	112.4	P825 I828 S881 V882 G883 E888 L889	P825-T885 HydrophobicContact CG-CG2 4.25Å; I828-T885 HydrophobicContact CD1-CG2 3.8Å; S881-T885 WeakPolarHBondContact O-CB 3.44Å; S881-T885 PolarHBondContact O-N 3Å; S881-T885 PolarHBondContact O-OG1 3.03Å; V882-T885 PolarHBondContact O-N 2.73Å; G883-T885 VanDerWaalsContact C-N 3.34Å; G883-T885 PolarHBondContact O-N 2.83Å; T885-E888 PolarHBondContact O-N 3.07Å; T885-L889 HydrophobicContact CG2-CD1 3.82Å; T885-L889 HydrophobicContact CG2-CG 4.22Å; T885-L889 WeakPolarHBondContact O-CB 3.35Å; T885-L889 VanDerWaalsContact O-CG 3.23Å; T885-L889 WeakPolarHBondContact O-CG 3.42Å; T885-L889 PolarHBondContact O-N 3.31Å
886	L	97.5	Very high	96.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.7	-33.7	-179.4	-73.1	-178.9	0	0	0	113.4	V799 S803 L806 F807 V882 G883 C884 L889 Y890 L986 L987	V799-L886 HydrophobicContact CG1-CD2 4.36Å; S803-L886 VanDerWaalsContact OG-CD1 3.32Å; S803-L886 WeakPolarHBondContact OG-CD1 3.39Å; S803-L886 WeakPolarHBondContact OG-CD2 3.34Å; L806-L886 HydrophobicContact CD1-CD2 4.21Å; F807-L886 HydrophobicContact CE2-CD1 4.42Å; F807-L886 HydrophobicContact CZ-CD1 3.94Å; V882-L886 HydrophobicContact CG1-CD1 3.92Å; V882-L886 HydrophobicContact CG1-CG 4.05Å; V882-L886 WeakPolarHBondContact O-CB 3.11Å; V882-L886 VanDerWaalsContact O-CG 3.3Å; V882-L886 WeakPolarHBondContact O-CG 3.39Å; V882-L886 PolarHBondContact O-N 2.88Å; G883-L886 PolarHBondContact O-N 2.99Å; C884-L886 PolarHBondContact O-N 3.46Å; L886-L889 HydrophobicContact CD2-CD1 4.25Å; L886-Y890 PolarHBondContact O-N 3.43Å; L886-L986 HydrophobicContact CD1-CD2 4.41Å; L886-L987 HydrophobicContact CB-CD2 4.05Å
887	Y	96.8	Very high	96.4	Very high	6 Å²	6	14.1 Å²	14.1	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-46.5	170.5	171	-86.6	0	0	0	110.9	G883 C884 Y890 T891 K893 L895 L962 E965 L966 L987	G883-Y887 PolarHBondContact O-N 2.97Å; C884-Y887 PolarHBondContact O-N 2.8Å; Y887-Y890 PolarHBondContact O-N 3.07Å; Y887-T891 HydrophobicContact CD2-CG2 4.26Å; Y887-T891 HydrophobicContact CE1-CG2 4.18Å; Y887-T891 VanDerWaalsContact CE1-OG1 3.27Å; Y887-T891 WeakPolarHBondContact CE1-OG1 3.22Å; Y887-T891 HydrophobicContact CE2-CG2 3.85Å; Y887-T891 PolarHBondContact O-N 2.86Å; Y887-T891 PolarHBondContact O-OG1 2.85Å; Y887-K893 WeakPolarHBondContact CD1-O 3.14Å; Y887-K893 HydrophobicContact CE1-CB 4.16Å; Y887-K893 VanDerWaalsContact CE1-O 3.28Å; Y887-K893 WeakPolarHBondContact CE1-O 3.41Å; Y887-L895 HydrophobicContact CD1-CB 3.54Å; Y887-L895 HydrophobicContact CD1-CD1 3.75Å; Y887-L895 HydrophobicContact CD1-CG 4.18Å; Y887-L895 HydrophobicContact CD2-CD1 3.73Å; Y887-L895 HydrophobicContact CE1-CB 4.07Å; Y887-L895 HydrophobicContact CE1-CD1 3.91Å; Y887-L895 HydrophobicContact CE2-CD1 3.89Å; Y887-L895 HydrophobicContact CG-CB 4.04Å; Y887-L895 HydrophobicContact CG-CD1 3.66Å; Y887-L895 HydrophobicContact CG-CG 4.28Å; Y887-L962 HydrophobicContact CD2-CD2 4.21Å; Y887-L962 HydrophobicContact CE2-CD2 4.21Å; Y887-E965 HydrophobicContact CE2-CB 4.35Å; Y887-E965 PolarHBondContact OH-OE2 3.23Å; Y887-L966 HydrophobicContact CD2-CD2 3.78Å; Y887-L966 HydrophobicContact CD2-CG 4.36Å; Y887-L966 HydrophobicContact CE2-CD2 4.08Å; Y887-L966 HydrophobicContact CE2-CG 4.34Å; Y887-L987 HydrophobicContact CD2-CD1 4.32Å
888	E	96.2	Very high	96.2	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-38.9	-178.5	-178.7	171.9	-158	0	0	112.4	R782 L785 P825 Y862 C884 T885 Y890 T891 G892 K893 I894	R782-E888 IonicContact CZ-OE1 3.14Å; R782-E888 IonicContact NH1-OE1 2.68Å; R782-E888 PolarHBondContact NH1-OE1 3.09Å; R782-E888 IonicContact NH2-OE1 2.7Å; L785-E888 HydrophobicContact CD1-CG 4.06Å; P825-E888 HydrophobicContact CG-CG 4.47Å; P825-E888 WeakPolarHBondContact CG-OE2 3.43Å; Y862-E888 VanDerWaalsContact CE1-OE2 3.25Å; Y862-E888 WeakPolarHBondContact CE1-OE2 3.42Å; Y862-E888 VanDerWaalsContact CZ-OE2 3.31Å; Y862-E888 PolarHBondContact OH-OE1 3.33Å; Y862-E888 PolarHBondContact OH-OE2 3.08Å; C884-E888 PolarHBondContact O-N 2.99Å; C884-E888 VanDerWaalsContact O-N 3.16Å; T885-E888 PolarHBondContact O-N 3.07Å; E888-Y890 PolarHBondContact O-N 2.76Å; E888-T891 PolarHBondContact O-N 2.88Å; E888-G892 VanDerWaalsContact O-CA 3.31Å; E888-G892 WeakPolarHBondContact O-CA 3.47Å; E888-G892 PolarHBondContact O-N 3.26Å; E888-K893 VanDerWaalsContact CA-O 3.23Å; E888-K893 WeakPolarHBondContact CA-O 3.49Å; E888-K893 VanDerWaalsContact CB-O 3.3Å; E888-K893 WeakPolarHBondContact CB-O 3.43Å; E888-K893 WeakPolarHBondContact CG-O 3.24Å; E888-I894 VanDerWaalsContact OE1-CG1 3.3Å; E888-I894 WeakPolarHBondContact OE1-CG1 3.31Å
889	L	96.2	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-29.2	174.2	-74	169.7	0	0	0	112.9	L781 L785 L794 V799 Y802 T885 L886	L781-L889 HydrophobicContact CB-CD2 3.98Å; L781-L889 HydrophobicContact CD1-CD1 4Å; L781-L889 HydrophobicContact CD1-CD2 3.78Å; L781-L889 HydrophobicContact CD2-CD2 4.33Å; L781-L889 HydrophobicContact CG-CD2 4.26Å; L785-L889 HydrophobicContact CD1-CD2 4.15Å; L785-L889 HydrophobicContact CG-CD2 4.37Å; L794-L889 VanDerWaalsContact CB-O 3.22Å; L794-L889 WeakPolarHBondContact CB-O 3.39Å; L794-L889 HydrophobicContact CD1-CB 4.42Å; L794-L889 HydrophobicContact CD1-CD2 3.78Å; L794-L889 VanDerWaalsContact CG-O 3.29Å; L794-L889 WeakPolarHBondContact CG-O 3.44Å; L794-L889 PolarHBondContact N-O 2.7Å; V799-L889 HydrophobicContact CG2-CB 4.39Å; Y802-L889 HydrophobicContact CD2-CD1 4.42Å; T885-L889 HydrophobicContact CG2-CD1 3.82Å; T885-L889 HydrophobicContact CG2-CG 4.22Å; T885-L889 WeakPolarHBondContact O-CB 3.35Å; T885-L889 VanDerWaalsContact O-CG 3.23Å; T885-L889 WeakPolarHBondContact O-CG 3.42Å; T885-L889 PolarHBondContact O-N 3.31Å; L886-L889 HydrophobicContact CD2-CD1 4.25Å
890	Y	95.9	Very high	95.8	Very high	17 Å²	17	20 Å²	20	7%	0.067	12%	0.121	C	C	.	.	H	α-helix	trans	-89.6	-31.7	177.6	-173.8	-113.1	0	0	0	113.8	L794 I796 V799 L886 Y887 E888 L966 V980 L983	L794-Y890 WeakPolarHBondContact O-CD2 3.36Å; I796-Y890 HydrophobicContact CB-CD2 4.4Å; I796-Y890 HydrophobicContact CB-CE2 3.92Å; I796-Y890 HydrophobicContact CD1-CD2 3.72Å; I796-Y890 HydrophobicContact CD1-CE2 3.76Å; I796-Y890 HydrophobicContact CD1-CG 4.3Å; I796-Y890 HydrophobicContact CG1-CE2 4.36Å; V799-Y890 HydrophobicContact CG2-CD2 4.06Å; L886-Y890 PolarHBondContact O-N 3.43Å; Y887-Y890 PolarHBondContact O-N 3.07Å; E888-Y890 PolarHBondContact O-N 2.76Å; Y890-L966 HydrophobicContact CD1-CB 4.41Å; Y890-L966 HydrophobicContact CD1-CD2 3.69Å; Y890-L966 HydrophobicContact CE1-CB 4.31Å; Y890-L966 HydrophobicContact CE1-CD2 4.4Å; Y890-L966 VanDerWaalsContact CE1-O 3.24Å; Y890-L966 WeakPolarHBondContact CE1-O 3.3Å; Y890-V980 HydrophobicContact CE1-CG1 4.32Å; Y890-V980 HydrophobicContact CE1-CG2 3.74Å; Y890-V980 HydrophobicContact CE2-CG2 4.37Å; Y890-V980 VanDerWaalsContact OH-CG2 3.24Å; Y890-V980 WeakPolarHBondContact OH-CG2 3.48Å; Y890-L983 HydrophobicContact CD1-CD2 3.97Å; Y890-L983 HydrophobicContact CD2-CD2 4.49Å; Y890-L983 HydrophobicContact CG-CD2 3.8Å
891	T	93.7	Very high	95.6	Very high	12 Å²	12	20.9 Å²	20.9	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-104.2	-14.5	-173.3	58.8	0	0	0	0	114.8	D791 Y887 E888 K893 L966	D791-T891 CarbonylContact C-O 3.51Å; Y887-T891 HydrophobicContact CD2-CG2 4.26Å; Y887-T891 HydrophobicContact CE1-CG2 4.18Å; Y887-T891 VanDerWaalsContact CE1-OG1 3.27Å; Y887-T891 WeakPolarHBondContact CE1-OG1 3.22Å; Y887-T891 HydrophobicContact CE2-CG2 3.85Å; Y887-T891 PolarHBondContact O-N 2.86Å; Y887-T891 PolarHBondContact O-OG1 2.85Å; E888-T891 PolarHBondContact O-N 2.88Å; T891-K893 PolarHBondContact O-N 2.63Å; T891-K893 PolarHBondContact OG1-N 2.91Å; T891-K893 PolarHBondContact OG1-O 3.12Å; T891-L966 HydrophobicContact CG2-CD2 3.97Å
892	G	93.5	Very high	95.4	Very high	24 Å²	24	21.1 Å²	21.1	25%	0.247	13%	0.127	C	C	.	.	S	Bend	trans	68.7	10.4	-166.8	0	0	0	0	0	114.1	E888	E888-G892 VanDerWaalsContact O-CA 3.31Å; E888-G892 WeakPolarHBondContact O-CA 3.47Å; E888-G892 PolarHBondContact O-N 3.26Å
893	K	93.8	Very high	95.3	Very high	88 Å²	88	23.1 Å²	23.1	38%	0.383	14%	0.136	S	C	.	.	S	Bend	trans	-121.9	136.5	-172.2	-65.7	179.6	-179.8	-167	0	112.4	D791 Y887 E888 T891 L895	D791-K893 VanDerWaalsContact CB-CE 3.48Å; D791-K893 VanDerWaalsContact OD1-CE 3.25Å; D791-K893 WeakPolarHBondContact OD1-CE 3.38Å; D791-K893 IonicContact OD1-NZ 3.43Å; D791-K893 WeakPolarHBondContact OD2-CE 3.49Å; D791-K893 IonicContact OD2-NZ 3.5Å; D791-K893 PolarHBondContact OD2-NZ 3Å; Y887-K893 WeakPolarHBondContact CD1-O 3.14Å; Y887-K893 HydrophobicContact CE1-CB 4.16Å; Y887-K893 VanDerWaalsContact CE1-O 3.28Å; Y887-K893 WeakPolarHBondContact CE1-O 3.41Å; E888-K893 VanDerWaalsContact CA-O 3.23Å; E888-K893 WeakPolarHBondContact CA-O 3.49Å; E888-K893 VanDerWaalsContact CB-O 3.3Å; E888-K893 WeakPolarHBondContact CB-O 3.43Å; E888-K893 WeakPolarHBondContact CG-O 3.24Å; T891-K893 PolarHBondContact O-N 2.63Å; T891-K893 PolarHBondContact OG1-N 2.91Å; T891-K893 PolarHBondContact OG1-O 3.12Å; K893-L895 PolarHBondContact O-N 2.98Å
894	I	95.2	Very high	95.2	Very high	57 Å²	57	23.2 Å²	23.2	29%	0.292	14%	0.137	S	C	.	.			trans	-60.8	126.7	168.6	-63.3	167.6	0	0	0	108.8	F861 E888 P897	F861-I894 HydrophobicContact CB-CG2 3.66Å; F861-I894 HydrophobicContact CD1-CG2 4.42Å; F861-I894 HydrophobicContact CD2-CD1 3.89Å; F861-I894 HydrophobicContact CD2-CG2 4.16Å; F861-I894 HydrophobicContact CE2-CD1 4.02Å; F861-I894 HydrophobicContact CG-CG2 3.85Å; E888-I894 VanDerWaalsContact OE1-CG1 3.3Å; E888-I894 WeakPolarHBondContact OE1-CG1 3.31Å; I894-P897 HydrophobicContact CG2-CB 4.19Å
895	L	94.7	Very high	95.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	-66.6	-42.2	-177.6	178.7	64.6	0	0	0	112.7	Y887 K893 K960 L962 L991	Y887-L895 HydrophobicContact CD1-CB 3.54Å; Y887-L895 HydrophobicContact CD1-CD1 3.75Å; Y887-L895 HydrophobicContact CD1-CG 4.18Å; Y887-L895 HydrophobicContact CD2-CD1 3.73Å; Y887-L895 HydrophobicContact CE1-CB 4.07Å; Y887-L895 HydrophobicContact CE1-CD1 3.91Å; Y887-L895 HydrophobicContact CE2-CD1 3.89Å; Y887-L895 HydrophobicContact CG-CB 4.04Å; Y887-L895 HydrophobicContact CG-CD1 3.66Å; Y887-L895 HydrophobicContact CG-CG 4.28Å; K893-L895 PolarHBondContact O-N 2.98Å; L895-K960 PolarHBondContact O-NZ 2.87Å; L895-L962 HydrophobicContact CD1-CD2 3.97Å; L895-L991 HydrophobicContact CD2-CD1 3.48Å; L895-L991 VanDerWaalsContact CD2-CD1 3.48Å; L895-L991 HydrophobicContact CD2-CD2 3.9Å; L895-L991 HydrophobicContact CD2-CG 4.35Å
896	L	95.4	Very high	94.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.141	C	C	.	.			trans	-127.9	77.4	-174.4	-56.1	177.1	0	0	0	109.7	F861 W880 G898 M904 L907 A908	F861-L896 WeakPolarHBondContact CD1-O 3.46Å; W880-L896 HydrophobicContact CZ2-CD1 3.71Å; L896-G898 PolarHBondContact O-N 2.97Å; L896-M904 HydrophobicContact CB-CE 3.59Å; L896-M904 HydrophobicContact CB-SD 3.96Å; L896-M904 HydrophobicContact CD1-CE 3.84Å; L896-M904 HydrophobicContact CG-CE 4.37Å; L896-L907 HydrophobicContact CD2-CB 3.73Å; L896-A908 HydrophobicContact CD1-CB 4.47Å
897	P	95.1	Very high	94.8	Very high	70 Å²	70	25.6 Å²	25.6	46%	0.455	15%	0.148	S	C	.	.			trans	-78.1	56.6	178.2	34	-37	0	0	0	111.4	I894	I894-P897 HydrophobicContact CG2-CB 4.19Å
898	G	93.4	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.			trans	-78.7	125.1	-179.1	0	0	0	0	0	111.7	R860 F861 L896	R860-G898 WeakPolarHBondContact CD-O 3.49Å; F861-G898 WeakPolarHBondContact CE1-O 3.38Å; L896-G898 PolarHBondContact O-N 2.97Å
899	S	92.4	Very high	94.6	Very high	89 Å²	89	25.2 Å²	25.2	62%	0.622	15%	0.147	S	C	*	.	S	Bend	trans	-66.7	-38.2	177.1	49.1	0	0	0	0	113.2	R860 H903	R860-S899 PolarHBondContact NE-O 3.33Å; S899-H903 PolarHBondContact N-ND1 2.79Å; S899-H903 PolarHBondContact OG-ND1 2.94Å
900	S	93.7	Very high	94.5	Very high	46 Å²	46	26.2 Å²	26.2	32%	0.322	15%	0.152	S	C	.	.	S	Bend	trans	-122.8	166.5	179.4	72.7	0	0	0	0	112.1	N902 H903 M904	S900-N902 PolarHBondContact O-N 3.18Å; S900-N902 PolarHBondContact OG-N 3.24Å; S900-H903 PolarHBondContact O-N 2.85Å; S900-H903 VanDerWaalsContact O-N 3.17Å; S900-H903 WeakPolarHBondContact OG-CB 3.38Å; S900-H903 PolarHBondContact OG-N 3.47Å; S900-M904 WeakPolarHBondContact O-CG 3.41Å; S900-M904 PolarHBondContact O-N 2.64Å
901	N	94.6	Very high	94.2	Very high	20 Å²	20	26.1 Å²	26.1	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-37.1	171.6	-97.5	6.1	0	0	0	111.9	P855 R863 I868 M904 L905	P855-N901 PolarHBondContact O-ND2 2.89Å; R863-N901 PolarHBondContact NH1-OD1 3.18Å; I868-N901 HydrophobicContact CG2-CB 3.69Å; N901-M904 PolarHBondContact O-N 2.91Å; N901-L905 PolarHBondContact O-N 3.45Å
902	N	94.7	Very high	94.2	Very high	5 Å²	5	28 Å²	28	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-46.7	174.3	-171	-85.5	0	0	0	111.5	S900 M904 L905 K906 F936 L937 I939	S900-N902 PolarHBondContact O-N 3.18Å; S900-N902 PolarHBondContact OG-N 3.24Å; N902-M904 PolarHBondContact O-N 3.3Å; N902-L905 WeakPolarHBondContact O-CB 3.47Å; N902-L905 PolarHBondContact O-N 3.34Å; N902-L905 VanDerWaalsContact O-N 3.15Å; N902-K906 PolarHBondContact O-N 2.73Å; N902-F936 WeakPolarHBondContact O-CZ 3.45Å; N902-L937 PolarHBondContact ND2-O 2.72Å; N902-L937 PolarHBondContact OD1-O 2.78Å; N902-I939 PolarHBondContact OD1-N 3.35Å
903	H	94.8	Very high	94.1	Very high	42 Å²	42	27.2 Å²	27.2	19%	0.194	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-36.8	177.5	-170	-176.7	0	0	0	112.2	S899 S900 L905 K906 L907	S899-H903 PolarHBondContact N-ND1 2.79Å; S899-H903 PolarHBondContact OG-ND1 2.94Å; S900-H903 PolarHBondContact O-N 2.85Å; S900-H903 VanDerWaalsContact O-N 3.17Å; S900-H903 WeakPolarHBondContact OG-CB 3.38Å; S900-H903 PolarHBondContact OG-N 3.47Å; H903-L905 VanDerWaalsContact C-N 3.34Å; H903-L905 PolarHBondContact O-N 2.8Å; H903-K906 WeakPolarHBondContact O-CB 3.46Å; H903-K906 PolarHBondContact O-N 2.83Å; H903-L907 WeakPolarHBondContact O-CG 3.44Å; H903-L907 PolarHBondContact O-N 2.95Å
904	M	96.1	Very high	94	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-57.4	-44	171.1	-77.3	-62.3	-57.1	0	0	112.4	R860 F861 I868 L896 S900 N901 N902 A908	R860-M904 HydrophobicContact CG-CG 3.95Å; R860-M904 HydrophobicContact CG-SD 4.41Å; R860-M904 WeakPolarHBondContact O-CE 3.38Å; F861-M904 HydrophobicContact CD1-SD 4.39Å; I868-M904 HydrophobicContact CD1-CB 3.65Å; I868-M904 HydrophobicContact CD1-CG 4.49Å; L896-M904 HydrophobicContact CB-CE 3.59Å; L896-M904 HydrophobicContact CB-SD 3.96Å; L896-M904 HydrophobicContact CD1-CE 3.84Å; L896-M904 HydrophobicContact CG-CE 4.37Å; S900-M904 WeakPolarHBondContact O-CG 3.41Å; S900-M904 PolarHBondContact O-N 2.64Å; N901-M904 PolarHBondContact O-N 2.91Å; N902-M904 PolarHBondContact O-N 3.3Å; M904-A908 WeakPolarHBondContact O-CB 3.29Å; M904-A908 PolarHBondContact O-N 3.04Å
905	L	95.5	Very high	94	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-39.3	175.1	-74.5	-176.1	0	0	0	112.7	P865 I868 I869 N901 N902 H903 A908 M909 M915 H929 F930 F936	P865-L905 HydrophobicContact CB-CD2 3.81Å; I868-L905 HydrophobicContact CB-CD1 4.48Å; I868-L905 HydrophobicContact CB-CD2 4.21Å; I868-L905 HydrophobicContact CB-CG 4.26Å; I868-L905 HydrophobicContact CD1-CD2 4.2Å; I868-L905 HydrophobicContact CD1-CG 4.26Å; I868-L905 HydrophobicContact CG2-CD1 3.77Å; I868-L905 HydrophobicContact CG2-CD2 4.28Å; I868-L905 HydrophobicContact CG2-CG 3.78Å; I869-L905 HydrophobicContact CG2-CD1 3.92Å; I869-L905 HydrophobicContact CG2-CD2 4.41Å; N901-L905 PolarHBondContact O-N 3.45Å; N902-L905 WeakPolarHBondContact O-CB 3.47Å; N902-L905 PolarHBondContact O-N 3.34Å; N902-L905 VanDerWaalsContact O-N 3.15Å; H903-L905 VanDerWaalsContact C-N 3.34Å; H903-L905 PolarHBondContact O-N 2.8Å; L905-A908 PolarHBondContact O-N 3.41Å; L905-M909 HydrophobicContact CB-CE 3.9Å; L905-M909 WeakPolarHBondContact O-CB 3.46Å; L905-M909 VanDerWaalsContact O-CE 3.27Å; L905-M909 WeakPolarHBondContact O-CE 3.46Å; L905-M909 WeakPolarHBondContact O-CG 3.33Å; L905-M909 PolarHBondContact O-N 3.38Å; L905-M915 HydrophobicContact CD2-CE 3.7Å; L905-H929 HydrophobicContact CD1-CB 4Å; L905-H929 WeakPolarHBondContact CD1-CD2 3.33Å; L905-F930 HydrophobicContact CD1-CE2 4.35Å; L905-F936 HydrophobicContact CB-CE2 3.97Å; L905-F936 HydrophobicContact CB-CZ 4.25Å; L905-F936 HydrophobicContact CD1-CE2 4.46Å
906	K	94.6	Very high	94	Very high	25 Å²	25	25 Å²	25	11%	0.109	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-53.4	173.9	177.8	59	167.7	69.6	0	111.1	N902 H903 A908 M909 D910 F936 Y938 M953 M956	N902-K906 PolarHBondContact O-N 2.73Å; H903-K906 WeakPolarHBondContact O-CB 3.46Å; H903-K906 PolarHBondContact O-N 2.83Å; K906-A908 VanDerWaalsContact C-N 3.33Å; K906-A908 PolarHBondContact O-N 3.18Å; K906-M909 CarbonylContact O-C 3.51Å; K906-M909 PolarHBondContact O-N 2.96Å; K906-D910 IonicContact NZ-OD1 2.68Å; K906-D910 PolarHBondContact NZ-OD1 2.82Å; K906-D910 IonicContact NZ-OD2 3.73Å; K906-D910 PolarHBondContact NZ-OD2 2.68Å; K906-D910 PolarHBondContact O-N 3.46Å; K906-F936 HydrophobicContact CB-CE1 3.84Å; K906-F936 HydrophobicContact CB-CZ 4.1Å; K906-F936 HydrophobicContact CD-CD1 4.5Å; K906-F936 HydrophobicContact CD-CE1 4.02Å; K906-F936 HydrophobicContact CG-CE1 4.43Å; K906-Y938 HydrophobicContact CB-CD2 3.85Å; K906-Y938 HydrophobicContact CB-CE2 3.83Å; K906-Y938 HydrophobicContact CD-CD1 4.3Å; K906-Y938 HydrophobicContact CD-CD2 4.22Å; K906-Y938 HydrophobicContact CD-CE2 4.44Å; K906-Y938 HydrophobicContact CD-CG 4.18Å; K906-Y938 HydrophobicContact CG-CD1 4.46Å; K906-Y938 HydrophobicContact CG-CD2 3.83Å; K906-Y938 HydrophobicContact CG-CE1 4.3Å; K906-Y938 HydrophobicContact CG-CE2 3.66Å; K906-Y938 HydrophobicContact CG-CG 4.27Å; K906-M953 HydrophobicContact CD-SD 4.13Å; K906-M953 VanDerWaalsContact CE-SD 3.56Å; K906-M956 HydrophobicContact CD-SD 3.72Å
907	L	94.6	Very high	93.9	Very high	27 Å²	27	28.2 Å²	28.2	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-37.3	-179.4	-65.6	170.8	0	0	0	112.6	L896 H903 M909 D910 L911	L896-L907 HydrophobicContact CD2-CB 3.73Å; H903-L907 WeakPolarHBondContact O-CG 3.44Å; H903-L907 PolarHBondContact O-N 2.95Å; L907-M909 VanDerWaalsContact C-N 3.32Å; L907-M909 PolarHBondContact O-N 3.23Å; L907-D910 PolarHBondContact O-N 2.76Å; L907-L911 PolarHBondContact O-N 2.78Å
908	A	95.5	Very high	93.8	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-34.6	174.4	0	0	0	0	0	112.4	W880 L896 M904 L905 K906 L911 K912 L993	W880-A908 HydrophobicContact CH2-CB 4.09Å; W880-A908 HydrophobicContact CZ2-CB 4.24Å; L896-A908 HydrophobicContact CD1-CB 4.47Å; M904-A908 WeakPolarHBondContact O-CB 3.29Å; M904-A908 PolarHBondContact O-N 3.04Å; L905-A908 PolarHBondContact O-N 3.41Å; K906-A908 VanDerWaalsContact C-N 3.33Å; K906-A908 PolarHBondContact O-N 3.18Å; A908-L911 PolarHBondContact O-N 2.95Å; A908-K912 PolarHBondContact O-N 3Å; A908-K912 VanDerWaalsContact O-N 3.07Å; A908-L993 HydrophobicContact CB-CD2 3.84Å
909	M	94.1	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-83.6	-22.5	176.1	-70.1	-174.5	-85.2	0	0	113.7	L905 K906 L907 L911 G913 M915 F930 F936 M956 L993	L905-M909 HydrophobicContact CB-CE 3.9Å; L905-M909 WeakPolarHBondContact O-CB 3.46Å; L905-M909 VanDerWaalsContact O-CE 3.27Å; L905-M909 WeakPolarHBondContact O-CE 3.46Å; L905-M909 WeakPolarHBondContact O-CG 3.33Å; L905-M909 PolarHBondContact O-N 3.38Å; K906-M909 CarbonylContact O-C 3.51Å; K906-M909 PolarHBondContact O-N 2.96Å; L907-M909 VanDerWaalsContact C-N 3.32Å; L907-M909 PolarHBondContact O-N 3.23Å; M909-L911 PolarHBondContact O-N 2.85Å; M909-G913 WeakPolarHBondContact CA-O 3.44Å; M909-G913 WeakPolarHBondContact CB-O 3.42Å; M909-G913 WeakPolarHBondContact CG-O 3.45Å; M909-G913 CarbonylContact O-C 3.57Å; M909-G913 WeakPolarHBondContact O-CA 3.38Å; M909-G913 PolarHBondContact O-N 2.89Å; M909-M915 HydrophobicContact CG-CB 4.46Å; M909-M915 HydrophobicContact SD-CB 3.69Å; M909-M915 PolarHBondContact SD-N 3.07Å; M909-F930 HydrophobicContact CE-CE1 4.28Å; M909-F930 HydrophobicContact CE-CZ 3.95Å; M909-F930 HydrophobicContact SD-CE1 4.45Å; M909-F930 HydrophobicContact SD-CZ 4.39Å; M909-F936 HydrophobicContact CE-CB 4.45Å; M909-F936 HydrophobicContact CE-CD1 4.35Å; M909-F936 HydrophobicContact CE-CD2 3.53Å; M909-F936 HydrophobicContact CE-CE2 3.78Å; M909-F936 HydrophobicContact CE-CG 3.85Å; M909-F936 HydrophobicContact CE-CZ 4.29Å; M909-M956 HydrophobicContact CB-CE 3.63Å; M909-M956 HydrophobicContact CB-SD 4.17Å; M909-M956 HydrophobicContact CE-CE 3.67Å; M909-M956 HydrophobicContact CG-CE 4.12Å; M909-M956 HydrophobicContact SD-CE 3.42Å; M909-M956 WeakPolarHBondContact SD-CE 3.3Å; M909-L993 HydrophobicContact CG-CD1 3.99Å
910	D	92.5	Very high	94	Very high	21 Å²	21	28.6 Å²	28.6	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-25	165.7	-73.6	-41.9	0	0	0	112.1	K906 L907 P958 T959 K960	K906-D910 IonicContact NZ-OD1 2.68Å; K906-D910 PolarHBondContact NZ-OD1 2.82Å; K906-D910 IonicContact NZ-OD2 3.73Å; K906-D910 PolarHBondContact NZ-OD2 2.68Å; K906-D910 PolarHBondContact O-N 3.46Å; L907-D910 PolarHBondContact O-N 2.76Å; D910-P958 CarbonylContact O-C 3.59Å; D910-P958 VanDerWaalsContact O-CA 3.31Å; D910-P958 WeakPolarHBondContact O-CA 3.48Å; D910-T959 WeakPolarHBondContact CB-OG1 3.26Å; D910-T959 PolarHBondContact O-N 2.87Å; D910-T959 PolarHBondContact OD1-OG1 3.46Å; D910-K960 PolarHBondContact O-N 2.94Å; D910-K960 VanDerWaalsContact O-N 3.1Å
911	L	91.3	Very high	94	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.073	16%	0.159	C	C	.	.	H	α-helix	trans	-86.7	-42.4	174.8	176	59.8	0	0	0	113.5	L907 A908 M909 L962 L991	L907-L911 PolarHBondContact O-N 2.78Å; A908-L911 PolarHBondContact O-N 2.95Å; M909-L911 PolarHBondContact O-N 2.85Å; L911-L962 HydrophobicContact CD1-CD1 3.75Å; L911-L962 HydrophobicContact CD1-CD2 3.79Å; L911-L962 HydrophobicContact CD1-CG 3.49Å; L911-L962 VanDerWaalsContact CD1-CG 3.49Å; L911-L991 HydrophobicContact CD2-CB 4.37Å; L911-L991 HydrophobicContact CD2-CD1 4.02Å
912	K	92	Very high	94	Very high	53 Å²	53	39.7 Å²	39.7	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-113.1	-0.8	-171.8	-70.2	-54.2	-162.8	172.8	0	115.8	A908 E988 L991 L993	A908-K912 PolarHBondContact O-N 3Å; A908-K912 VanDerWaalsContact O-N 3.07Å; K912-E988 PolarHBondContact NZ-O 3.12Å; K912-L991 WeakPolarHBondContact CE-O 3.42Å; K912-L991 WeakPolarHBondContact CG-O 3.5Å; K912-L993 HydrophobicContact CB-CD1 3.92Å; K912-L993 HydrophobicContact CB-CD2 4.28Å; K912-L993 HydrophobicContact CB-CG 3.79Å; K912-L993 HydrophobicContact CG-CD2 4.49Å; K912-L993 HydrophobicContact CG-CG 4.24Å
913	G	92.2	Very high	94	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	18%	0.183	C	C	.	.			trans	74.7	-179.3	-167.2	0	0	0	0	0	112.1	M909 M915 M956 L993	M909-G913 WeakPolarHBondContact CA-O 3.44Å; M909-G913 WeakPolarHBondContact CB-O 3.42Å; M909-G913 WeakPolarHBondContact CG-O 3.45Å; M909-G913 CarbonylContact O-C 3.57Å; M909-G913 WeakPolarHBondContact O-CA 3.38Å; M909-G913 PolarHBondContact O-N 2.89Å; G913-M915 PolarHBondContact O-N 2.85Å; G913-M956 WeakPolarHBondContact CA-O 3.44Å; G913-L993 WeakPolarHBondContact O-CD1 3.49Å
914	K	92.1	Very high	93.9	Very high	57 Å²	57	43.1 Å²	43.1	25%	0.248	20%	0.202	C	C	.	.	S	Bend	trans	-53.3	134.8	-177.2	-174.5	174.2	-177.7	175.1	0	113.4	L934 N935 S954 M956	K914-L934 WeakPolarHBondContact CE-O 3.38Å; K914-L934 PolarHBondContact NZ-O 3.22Å; K914-N935 PolarHBondContact NZ-OD1 3.12Å; K914-S954 VanDerWaalsContact CD-O 3.32Å; K914-S954 WeakPolarHBondContact CD-O 3.33Å; K914-S954 PolarHBondContact NZ-O 2.81Å; K914-M956 PolarHBondContact N-O 3.17Å
915	M	94.4	Very high	93.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-57.5	139.3	176.6	-175.1	-176.8	-67.6	0	0	112	P865 I869 L905 M909 G913 N917 M919 I920 F930 L993	P865-M915 HydrophobicContact CB-CE 3.9Å; I869-M915 HydrophobicContact CD1-SD 3.85Å; I869-M915 HydrophobicContact CG2-CE 3.99Å; I869-M915 HydrophobicContact CG2-SD 4.15Å; L905-M915 HydrophobicContact CD2-CE 3.7Å; M909-M915 HydrophobicContact CG-CB 4.46Å; M909-M915 HydrophobicContact SD-CB 3.69Å; M909-M915 PolarHBondContact SD-N 3.07Å; G913-M915 PolarHBondContact O-N 2.85Å; M915-N917 PolarHBondContact O-N 2.73Å; M915-M919 HydrophobicContact CE-CE 3.96Å; M915-M919 HydrophobicContact CE-SD 4.39Å; M915-M919 HydrophobicContact CG-CB 4.2Å; M915-M919 HydrophobicContact CG-CG 4.11Å; M915-M919 HydrophobicContact CG-SD 3.8Å; M915-M919 HydrophobicContact SD-CB 4.35Å; M915-M919 HydrophobicContact SD-CE 3.96Å; M915-M919 HydrophobicContact SD-CG 3.79Å; M915-M919 HydrophobicContact SD-SD 3.83Å; M915-I920 HydrophobicContact CB-CD1 4.24Å; M915-I920 HydrophobicContact CB-CG1 4.11Å; M915-I920 HydrophobicContact CG-CG1 3.9Å; M915-I920 WeakPolarHBondContact O-CD1 3.42Å; M915-I920 HydrophobicContact SD-CG1 3.72Å; M915-F930 HydrophobicContact CB-CZ 4.28Å; M915-F930 HydrophobicContact CE-CZ 4.46Å; M915-F930 HydrophobicContact SD-CE2 4.43Å; M915-F930 HydrophobicContact SD-CZ 4.18Å; M915-L993 HydrophobicContact CB-CD1 4.2Å
916	P	94.3	Very high	93.7	Very high	42 Å²	42	48 Å²	48	27%	0.273	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-62.1	132.3	-179.1	-24.7	34.9	0	0	0	113.6	K918 M919 I920	P916-K918 PolarHBondContact O-N 3.36Å; P916-M919 WeakPolarHBondContact O-CA 3.07Å; P916-M919 WeakPolarHBondContact O-CB 3.49Å; P916-M919 PolarHBondContact O-N 3.15Å; P916-I920 PolarHBondContact O-N 2.76Å
917	N	94.1	Very high	93.6	Very high	69 Å²	69	51 Å²	51	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-57.7	-17.9	179.6	-61.5	20.9	0	0	0	114.7	M915 R921 L934	M915-N917 PolarHBondContact O-N 2.73Å; N917-R921 WeakPolarHBondContact O-CG 3.23Å; N917-R921 PolarHBondContact O-NH1 2.83Å; N917-L934 HydrophobicContact CB-CD1 3.69Å
918	K	93.9	Very high	93.5	Very high	163 Å²	163	54.8 Å²	54.8	71%	0.709	26%	0.257	S	S	*	.	H	α-helix	trans	-78.8	-25.4	172.8	-173.2	177.6	178.8	-178.1	0	112.7	P916	P916-K918 PolarHBondContact O-N 3.36Å
919	M	94.4	Very high	93.3	Very high	4 Å²	4	55 Å²	55	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-81.8	-48.2	174.7	179.2	173.7	174.3	0	0	110.6	P865 E866 I869 K871 M915 P916 R921 K922 L993 D994	P865-M919 HydrophobicContact CB-CE 4.02Å; P865-M919 HydrophobicContact CG-CE 4.11Å; E866-M919 HydrophobicContact CB-CE 4.02Å; I869-M919 HydrophobicContact CD1-CE 3.78Å; I869-M919 HydrophobicContact CD1-CG 3.62Å; K871-M919 HydrophobicContact CD-CG 4.17Å; M915-M919 HydrophobicContact CE-CE 3.96Å; M915-M919 HydrophobicContact CE-SD 4.39Å; M915-M919 HydrophobicContact CG-CB 4.2Å; M915-M919 HydrophobicContact CG-CG 4.11Å; M915-M919 HydrophobicContact CG-SD 3.8Å; M915-M919 HydrophobicContact SD-CB 4.35Å; M915-M919 HydrophobicContact SD-CE 3.96Å; M915-M919 HydrophobicContact SD-CG 3.79Å; M915-M919 HydrophobicContact SD-SD 3.83Å; P916-M919 WeakPolarHBondContact O-CA 3.07Å; P916-M919 WeakPolarHBondContact O-CB 3.49Å; P916-M919 PolarHBondContact O-N 3.15Å; M919-R921 PolarHBondContact O-N 3.43Å; M919-K922 PolarHBondContact O-N 3.31Å; M919-L993 WeakPolarHBondContact CE-O 3.41Å; M919-D994 HydrophobicContact SD-CB 4.39Å
920	I	94.9	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-48.8	180	-56.8	166.9	0	0	0	111.3	M915 P916 K922 G923 K926 F930 L934	M915-I920 HydrophobicContact CB-CD1 4.24Å; M915-I920 HydrophobicContact CB-CG1 4.11Å; M915-I920 HydrophobicContact CG-CG1 3.9Å; M915-I920 WeakPolarHBondContact O-CD1 3.42Å; M915-I920 HydrophobicContact SD-CG1 3.72Å; P916-I920 PolarHBondContact O-N 2.76Å; I920-K922 PolarHBondContact O-N 3.09Å; I920-G923 PolarHBondContact O-N 2.73Å; I920-G923 VanDerWaalsContact O-N 3.08Å; I920-K926 HydrophobicContact CG2-CB 4.23Å; I920-K926 WeakPolarHBondContact O-CB 3.4Å; I920-F930 HydrophobicContact CD1-CD1 3.72Å; I920-F930 HydrophobicContact CD1-CE1 3.51Å; I920-F930 HydrophobicContact CD1-CG 4.34Å; I920-F930 HydrophobicContact CD1-CZ 3.96Å; I920-F930 HydrophobicContact CG1-CD1 4.3Å; I920-F930 HydrophobicContact CG1-CD2 4.44Å; I920-F930 HydrophobicContact CG1-CE1 3.99Å; I920-F930 HydrophobicContact CG1-CE2 4.14Å; I920-F930 HydrophobicContact CG1-CZ 3.91Å; I920-F930 HydrophobicContact CG2-CB 4Å; I920-F930 HydrophobicContact CG2-CD1 4.15Å; I920-F930 HydrophobicContact CG2-CD2 3.63Å; I920-F930 HydrophobicContact CG2-CE2 4.11Å; I920-F930 HydrophobicContact CG2-CG 3.65Å; I920-L934 HydrophobicContact CB-CD2 4.49Å; I920-L934 HydrophobicContact CD1-CB 4.23Å; I920-L934 HydrophobicContact CG2-CD2 3.85Å
921	R	94.6	Very high	93.4	Very high	166 Å²	166	55.9 Å²	55.9	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.9	178.3	-68.4	-174.3	-165.7	103.5	-12.8	115.1	N917 M919 L934	N917-R921 WeakPolarHBondContact O-CG 3.23Å; N917-R921 PolarHBondContact O-NH1 2.83Å; M919-R921 PolarHBondContact O-N 3.43Å; R921-L934 HydrophobicContact CG-CD1 3.91Å; R921-L934 HydrophobicContact CG-CD2 4.25Å
922	K	93.6	Very high	93.4	Very high	134 Å²	134	63.2 Å²	63.2	58%	0.583	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-0	176.9	-76.9	-165.9	166.5	-147.2	0	113.4	K871 M919 I920	K871-K922 HydrophobicContact CG-CB 4.24Å; M919-K922 PolarHBondContact O-N 3.31Å; I920-K922 PolarHBondContact O-N 3.09Å
923	G	93.9	Very high	93.3	Very high	6 Å²	6	66.1 Å²	66.1	6%	0.062	32%	0.315	C	S	.	.			trans	-87.8	133.4	174.2	0	0	0	0	0	111.9	I869 I920	I869-G923 CarbonylContact O-C 3.55Å; I869-G923 WeakPolarHBondContact O-CA 3.16Å; I920-G923 PolarHBondContact O-N 2.73Å; I920-G923 VanDerWaalsContact O-N 3.08Å
924	L	93.6	Very high	93.3	Very high	113 Å²	113	66.6 Å²	66.6	59%	0.592	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.8	170.4	-64.2	-176.4	0	0	0	112.1	I853 I869 G870 K926	I853-L924 HydrophobicContact CB-CD1 4.31Å; I853-L924 HydrophobicContact CD1-CD1 3.9Å; I853-L924 HydrophobicContact CG2-CD1 4.01Å; I869-L924 PolarHBondContact O-N 2.95Å; I869-L924 VanDerWaalsContact O-N 3.09Å; G870-L924 PolarHBondContact O-N 3.43Å; L924-K926 VanDerWaalsContact C-N 3.32Å; L924-K926 PolarHBondContact O-N 3.37Å
925	F	93.4	Very high	93.4	Very high	44 Å²	44	65.3 Å²	65.3	19%	0.193	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	18.4	-177.3	-45.8	-52.3	0	0	0	112.8	I853 P855 I869 D927 Q928	I853-F925 HydrophobicContact CG2-CE2 4.04Å; I853-F925 HydrophobicContact CG2-CZ 4.33Å; I853-F925 WeakPolarHBondContact O-CZ 3.2Å; P855-F925 HydrophobicContact CB-CD2 3.64Å; P855-F925 HydrophobicContact CB-CE2 3.78Å; P855-F925 HydrophobicContact CB-CG 4.46Å; P855-F925 VanDerWaalsContact CD-CE2 3.47Å; P855-F925 HydrophobicContact CG-CD2 4.02Å; P855-F925 HydrophobicContact CG-CE2 3.84Å; P855-F925 HydrophobicContact CG-CZ 4.29Å; I869-F925 PolarHBondContact O-N 3.48Å; F925-D927 PolarHBondContact O-N 3.33Å; F925-Q928 PolarHBondContact O-N 3.26Å
926	K	93.3	Very high	93.4	Very high	60 Å²	60	65.2 Å²	65.2	26%	0.261	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-54.2	-39.1	-177	75.3	-171.1	-162.3	-66.1	0	112.4	I920 L924 Q928 H929 F930	I920-K926 HydrophobicContact CG2-CB 4.23Å; I920-K926 WeakPolarHBondContact O-CB 3.4Å; L924-K926 VanDerWaalsContact C-N 3.32Å; L924-K926 PolarHBondContact O-N 3.37Å; K926-Q928 VanDerWaalsContact C-N 3.25Å; K926-Q928 PolarHBondContact O-N 3.2Å; K926-H929 CarbonylContact O-C 3.46Å; K926-H929 PolarHBondContact O-N 3.44Å; K926-F930 PolarHBondContact O-N 3.27Å
927	D	92.3	Very high	93.3	Very high	88 Å²	88	65 Å²	65	47%	0.471	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-75.5	-14.7	-169.9	-49	-64.4	0	0	0	112.5	F925 H929	F925-D927 PolarHBondContact O-N 3.33Å; D927-H929 PolarHBondContact O-N 3.12Å
928	Q	92.3	Very high	93.2	Very high	107 Å²	107	63.4 Å²	63.4	50%	0.5	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-73.7	-15.3	170.1	-58.8	-179.9	3.2	0	0	112.7	F925 K926	F925-Q928 PolarHBondContact O-N 3.26Å; K926-Q928 VanDerWaalsContact C-N 3.25Å; K926-Q928 PolarHBondContact O-N 3.2Å
929	H	93.1	Very high	93	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.037	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-14.4	-164.7	-61.9	-19.6	0	0	0	113.9	I868 L905 K926 D927 F936 L937	I868-H929 WeakPolarHBondContact CG2-NE2 3.34Å; L905-H929 HydrophobicContact CD1-CB 4Å; L905-H929 WeakPolarHBondContact CD1-CD2 3.33Å; K926-H929 CarbonylContact O-C 3.46Å; K926-H929 PolarHBondContact O-N 3.44Å; D927-H929 PolarHBondContact O-N 3.12Å; H929-F936 HydrophobicContact CB-CE2 4.37Å; H929-F936 WeakPolarHBondContact O-CD2 3.18Å; H929-L937 PolarHBondContact O-N 3.5Å
930	F	94.6	Very high	92.6	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.022	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-139.5	145.4	-178.3	-62.4	-88.9	0	0	0	111.6	I869 L905 M909 M915 I920 K926 N935 F936	I869-F930 HydrophobicContact CG2-CE2 4.16Å; L905-F930 HydrophobicContact CD1-CE2 4.35Å; M909-F930 HydrophobicContact CE-CE1 4.28Å; M909-F930 HydrophobicContact CE-CZ 3.95Å; M909-F930 HydrophobicContact SD-CE1 4.45Å; M909-F930 HydrophobicContact SD-CZ 4.39Å; M915-F930 HydrophobicContact CB-CZ 4.28Å; M915-F930 HydrophobicContact CE-CZ 4.46Å; M915-F930 HydrophobicContact SD-CE2 4.43Å; M915-F930 HydrophobicContact SD-CZ 4.18Å; I920-F930 HydrophobicContact CD1-CD1 3.72Å; I920-F930 HydrophobicContact CD1-CE1 3.51Å; I920-F930 HydrophobicContact CD1-CG 4.34Å; I920-F930 HydrophobicContact CD1-CZ 3.96Å; I920-F930 HydrophobicContact CG1-CD1 4.3Å; I920-F930 HydrophobicContact CG1-CD2 4.44Å; I920-F930 HydrophobicContact CG1-CE1 3.99Å; I920-F930 HydrophobicContact CG1-CE2 4.14Å; I920-F930 HydrophobicContact CG1-CZ 3.91Å; I920-F930 HydrophobicContact CG2-CB 4Å; I920-F930 HydrophobicContact CG2-CD1 4.15Å; I920-F930 HydrophobicContact CG2-CD2 3.63Å; I920-F930 HydrophobicContact CG2-CE2 4.11Å; I920-F930 HydrophobicContact CG2-CG 3.65Å; K926-F930 PolarHBondContact O-N 3.27Å; F930-N935 CarbonylContact C-O 3.55Å; F930-N935 WeakPolarHBondContact CA-O 3.49Å; F930-F936 HydrophobicContact CD1-CB 4.17Å; F930-F936 HydrophobicContact CD1-CD2 4.29Å; F930-F936 HydrophobicContact CE1-CB 3.98Å; F930-F936 AromaticContact CE1-CD2 3.87Å; F930-F936 HydrophobicContact CE1-CD2 3.87Å; F930-F936 HydrophobicContact CE1-CG 4.4Å; F930-F936 HydrophobicContact CZ-CD2 4Å
931	D	92.4	Very high	92	Very high	33 Å²	33	65.5 Å²	65.5	18%	0.176	32%	0.316	C	S	.	.			trans	-76.8	173.2	172.7	81.9	-9.5	0	0	0	112	N933 L934 N935 L937	D931-N933 PolarHBondContact O-N 3.24Å; D931-N933 VanDerWaalsContact O-N 3.09Å; D931-N933 VanDerWaalsContact OD1-CA 3.24Å; D931-N933 WeakPolarHBondContact OD1-CA 3.49Å; D931-N933 VanDerWaalsContact OD1-CB 3.3Å; D931-N933 WeakPolarHBondContact OD1-CB 3.29Å; D931-N933 PolarHBondContact OD1-N 3.01Å; D931-N933 PolarHBondContact OD2-ND2 3.47Å; D931-L934 WeakPolarHBondContact O-CA 3.25Å; D931-L934 PolarHBondContact O-N 3.48Å; D931-L934 PolarHBondContact OD1-N 3.22Å; D931-N935 PolarHBondContact N-O 3.13Å; D931-N935 WeakPolarHBondContact OD1-CB 3.48Å; D931-N935 PolarHBondContact OD1-N 3.18Å; D931-N935 PolarHBondContact OD1-ND2 3.44Å; D931-N935 PolarHBondContact OD2-ND2 2.92Å; D931-L937 HydrophobicContact CB-CD2 4.14Å; D931-L937 HydrophobicContact CB-CG 4.47Å
932	Q	91.3	Very high	91.3	Very high	168 Å²	168	60.2 Å²	60.2	79%	0.785	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	176.3	-172.5	64.3	1.7	0	0	113.6	L934	Q932-L934 VanDerWaalsContact C-N 3.34Å
933	N	91.6	Very high	90.4	Very high	115 Å²	115	63.5 Å²	63.5	62%	0.615	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.8	176	-48.8	-68.9	0	0	0	112.7	D931 N935	D931-N933 PolarHBondContact O-N 3.24Å; D931-N933 VanDerWaalsContact O-N 3.09Å; D931-N933 VanDerWaalsContact OD1-CA 3.24Å; D931-N933 WeakPolarHBondContact OD1-CA 3.49Å; D931-N933 VanDerWaalsContact OD1-CB 3.3Å; D931-N933 WeakPolarHBondContact OD1-CB 3.29Å; D931-N933 PolarHBondContact OD1-N 3.01Å; D931-N933 PolarHBondContact OD2-ND2 3.47Å; N933-N935 VanDerWaalsContact C-N 3.32Å
934	L	91.6	Very high	89.8	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	35%	0.348	C	S	.	.			trans	64.9	28.2	-174.3	-43.8	175.7	0	0	0	113.7	K914 N917 I920 R921 D931 Q932	K914-L934 WeakPolarHBondContact CE-O 3.38Å; K914-L934 PolarHBondContact NZ-O 3.22Å; N917-L934 HydrophobicContact CB-CD1 3.69Å; I920-L934 HydrophobicContact CB-CD2 4.49Å; I920-L934 HydrophobicContact CD1-CB 4.23Å; I920-L934 HydrophobicContact CG2-CD2 3.85Å; R921-L934 HydrophobicContact CG-CD1 3.91Å; R921-L934 HydrophobicContact CG-CD2 4.25Å; D931-L934 WeakPolarHBondContact O-CA 3.25Å; D931-L934 PolarHBondContact O-N 3.48Å; D931-L934 PolarHBondContact OD1-N 3.22Å; Q932-L934 VanDerWaalsContact C-N 3.34Å
935	N	93	Very high	89.1	Confident	30 Å²	30	67.4 Å²	67.4	16%	0.16	34%	0.342	C	S	.	.			trans	-78.1	147	164.4	-55.3	-43.5	0	0	0	109.6	K914 F930 D931 N933 V952 S954	K914-N935 PolarHBondContact NZ-OD1 3.12Å; F930-N935 CarbonylContact C-O 3.55Å; F930-N935 WeakPolarHBondContact CA-O 3.49Å; D931-N935 PolarHBondContact N-O 3.13Å; D931-N935 WeakPolarHBondContact OD1-CB 3.48Å; D931-N935 PolarHBondContact OD1-N 3.18Å; D931-N935 PolarHBondContact OD1-ND2 3.44Å; D931-N935 PolarHBondContact OD2-ND2 2.92Å; N933-N935 VanDerWaalsContact C-N 3.32Å; N935-V952 HydrophobicContact CB-CG1 3.78Å; N935-S954 VanDerWaalsContact OD1-CA 3.25Å; N935-S954 WeakPolarHBondContact OD1-CA 3.29Å; N935-S954 WeakPolarHBondContact OD1-CB 3.49Å
936	F	94.4	Very high	88.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.5	180	178.9	-115.1	0	0	0	110.5	N902 L905 K906 M909 H929 F930 Y938 M953 M956	N902-F936 WeakPolarHBondContact O-CZ 3.45Å; L905-F936 HydrophobicContact CB-CE2 3.97Å; L905-F936 HydrophobicContact CB-CZ 4.25Å; L905-F936 HydrophobicContact CD1-CE2 4.46Å; K906-F936 HydrophobicContact CB-CE1 3.84Å; K906-F936 HydrophobicContact CB-CZ 4.1Å; K906-F936 HydrophobicContact CD-CD1 4.5Å; K906-F936 HydrophobicContact CD-CE1 4.02Å; K906-F936 HydrophobicContact CG-CE1 4.43Å; M909-F936 HydrophobicContact CE-CB 4.45Å; M909-F936 HydrophobicContact CE-CD1 4.35Å; M909-F936 HydrophobicContact CE-CD2 3.53Å; M909-F936 HydrophobicContact CE-CE2 3.78Å; M909-F936 HydrophobicContact CE-CG 3.85Å; M909-F936 HydrophobicContact CE-CZ 4.29Å; H929-F936 HydrophobicContact CB-CE2 4.37Å; H929-F936 WeakPolarHBondContact O-CD2 3.18Å; F930-F936 HydrophobicContact CD1-CB 4.17Å; F930-F936 HydrophobicContact CD1-CD2 4.29Å; F930-F936 HydrophobicContact CE1-CB 3.98Å; F930-F936 AromaticContact CE1-CD2 3.87Å; F930-F936 HydrophobicContact CE1-CD2 3.87Å; F930-F936 HydrophobicContact CE1-CG 4.4Å; F930-F936 HydrophobicContact CZ-CD2 4Å; F936-Y938 AromaticContact CE1-CD2 3.89Å; F936-Y938 HydrophobicContact CE1-CD2 3.89Å; F936-Y938 AromaticContact CE1-CG 4Å; F936-Y938 HydrophobicContact CE1-CG 4Å; F936-Y938 HydrophobicContact CZ-CD2 4.41Å; F936-M953 HydrophobicContact CB-CB 4.42Å; F936-M953 PolarHBondContact N-O 3.13Å; F936-M953 PolarHBondContact O-N 3.42Å; F936-M956 HydrophobicContact CB-CE 3.52Å; F936-M956 HydrophobicContact CD1-CE 3.54Å; F936-M956 HydrophobicContact CD1-SD 4.01Å; F936-M956 HydrophobicContact CE1-CE 4.43Å; F936-M956 HydrophobicContact CG-CE 3.64Å
937	L	93	Very high	88	Confident	37 Å²	37	79.5 Å²	79.5	19%	0.194	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	95.5	174.1	-62.5	177.5	0	0	0	107.6	N902 H929 D931 V950 V952	N902-L937 PolarHBondContact ND2-O 2.72Å; N902-L937 PolarHBondContact OD1-O 2.78Å; H929-L937 PolarHBondContact O-N 3.5Å; D931-L937 HydrophobicContact CB-CD2 4.14Å; D931-L937 HydrophobicContact CB-CG 4.47Å; L937-V950 HydrophobicContact CB-CG1 3.96Å; L937-V950 HydrophobicContact CD2-CG1 4.02Å; L937-V950 HydrophobicContact CG-CG1 4.5Å; L937-V952 HydrophobicContact CD2-CG1 4.39Å; L937-V952 HydrophobicContact CD2-CG2 3.88Å
938	Y	91.9	Very high	87.7	Confident	36 Å²	36	82.4 Å²	82.4	14%	0.141	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.2	178.5	-176.4	-144.1	0	0	0	109.8	K906 F936 E940 V950 T951 M953	K906-Y938 HydrophobicContact CB-CD2 3.85Å; K906-Y938 HydrophobicContact CB-CE2 3.83Å; K906-Y938 HydrophobicContact CD-CD1 4.3Å; K906-Y938 HydrophobicContact CD-CD2 4.22Å; K906-Y938 HydrophobicContact CD-CE2 4.44Å; K906-Y938 HydrophobicContact CD-CG 4.18Å; K906-Y938 HydrophobicContact CG-CD1 4.46Å; K906-Y938 HydrophobicContact CG-CD2 3.83Å; K906-Y938 HydrophobicContact CG-CE1 4.3Å; K906-Y938 HydrophobicContact CG-CE2 3.66Å; K906-Y938 HydrophobicContact CG-CG 4.27Å; F936-Y938 AromaticContact CE1-CD2 3.89Å; F936-Y938 HydrophobicContact CE1-CD2 3.89Å; F936-Y938 AromaticContact CE1-CG 4Å; F936-Y938 HydrophobicContact CE1-CG 4Å; F936-Y938 HydrophobicContact CZ-CD2 4.41Å; Y938-E940 HydrophobicContact CD1-CG 3.81Å; Y938-E940 HydrophobicContact CE1-CG 3.36Å; Y938-E940 VanDerWaalsContact CE1-OE1 3.27Å; Y938-E940 WeakPolarHBondContact CE1-OE1 3.42Å; Y938-E940 HydrophobicContact CE2-CG 4.35Å; Y938-E940 HydrophobicContact CG-CG 4.47Å; Y938-V950 CarbonylContact O-C 3.54Å; Y938-V950 WeakPolarHBondContact O-CA 3.37Å; Y938-T951 PolarHBondContact N-O 2.66Å; Y938-T951 PolarHBondContact O-N 3.11Å; Y938-M953 HydrophobicContact CD1-SD 4.27Å
939	I	89.9	Confident	87.5	Confident	52 Å²	52	82.2 Å²	82.2	27%	0.267	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.2	-179.8	-52.2	175.6	0	0	0	108.3	N902 E948 V950	N902-I939 PolarHBondContact OD1-N 3.35Å; I939-E948 HydrophobicContact CG2-CB 4.33Å; I939-E948 HydrophobicContact CG2-CG 4.45Å; I939-V950 HydrophobicContact CG1-CG2 4.44Å
940	E	86.1	Confident	87.4	Confident	66 Å²	66	85.8 Å²	85.8	31%	0.308	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.8	169.3	-61.4	-175.9	129.6	0	0	109.3	Y938 K949	Y938-E940 HydrophobicContact CD1-CG 3.81Å; Y938-E940 HydrophobicContact CE1-CG 3.36Å; Y938-E940 VanDerWaalsContact CE1-OE1 3.27Å; Y938-E940 WeakPolarHBondContact CE1-OE1 3.42Å; Y938-E940 HydrophobicContact CE2-CG 4.35Å; Y938-E940 HydrophobicContact CG-CG 4.47Å; E940-K949 PolarHBondContact N-O 2.84Å; E940-K949 PolarHBondContact O-N 3.48Å; E940-K949 IonicContact OE2-NZ 2.65Å; E940-K949 PolarHBondContact OE2-NZ 3.47Å
941	V	82.1	Confident	87.1	Confident	93 Å²	93	87.8 Å²	87.8	56%	0.564	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.2	158.8	-179.2	0	0	0	0	107	K943	V941-K943 PolarHBondContact O-N 3.36Å
942	D	78.9	Confident	87.1	Confident	55 Å²	55	90.2 Å²	90.2	29%	0.294	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-70.8	123.3	176.3	173.1	24.6	0	0	0	110.5	V944 T945 E946 R947	D942-V944 PolarHBondContact O-N 3.16Å; D942-V944 VanDerWaalsContact O-N 3.12Å; D942-V944 PolarHBondContact OD1-N 3.18Å; D942-T945 WeakPolarHBondContact CB-OG1 3.49Å; D942-T945 PolarHBondContact O-N 3.14Å; D942-T945 WeakPolarHBondContact OD2-CB 3.23Å; D942-T945 WeakPolarHBondContact OD2-CG2 3.4Å; D942-T945 PolarHBondContact OD2-N 3.4Å; D942-T945 PolarHBondContact OD2-OG1 3.48Å; D942-E946 VanDerWaalsContact O-CA 3.27Å; D942-E946 WeakPolarHBondContact O-CA 3.21Å; D942-E946 PolarHBondContact O-N 2.97Å; D942-R947 PolarHBondContact N-O 3.14Å
943	K	76.6	Confident	86.8	Confident	202 Å²	202	84.8 Å²	84.8	88%	0.878	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.3	-176.4	-60	-172.3	178.6	-170.7	0	114.5	V941	V941-K943 PolarHBondContact O-N 3.36Å
944	V	79.5	Confident	86.3	Confident	129 Å²	129	82.4 Å²	82.4	78%	0.782	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-30.1	-179.3	-175.5	0	0	0	0	112.2	D942	D942-V944 PolarHBondContact O-N 3.16Å; D942-V944 VanDerWaalsContact O-N 3.12Å; D942-V944 PolarHBondContact OD1-N 3.18Å
945	T	79	Confident	85.7	Confident	73 Å²	73	86.5 Å²	86.5	45%	0.448	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-5.5	-176.7	63.4	0	0	0	0	114.5	D942 R947	D942-T945 WeakPolarHBondContact CB-OG1 3.49Å; D942-T945 PolarHBondContact O-N 3.14Å; D942-T945 WeakPolarHBondContact OD2-CB 3.23Å; D942-T945 WeakPolarHBondContact OD2-CG2 3.4Å; D942-T945 PolarHBondContact OD2-N 3.4Å; D942-T945 PolarHBondContact OD2-OG1 3.48Å; T945-R947 WeakPolarHBondContact O-CG 3.13Å; T945-R947 PolarHBondContact O-N 2.83Å
946	E	81.1	Confident	85	Confident	171 Å²	171	85.6 Å²	85.6	80%	0.799	44%	0.439	S	S	*	.			trans	54.5	14.5	-175.3	-58	-168.1	150.9	0	0	114.9	D942	D942-E946 VanDerWaalsContact O-CA 3.27Å; D942-E946 WeakPolarHBondContact O-CA 3.21Å; D942-E946 PolarHBondContact O-N 2.97Å
947	R	83.1	Confident	84.3	Confident	187 Å²	187	91.3 Å²	91.3	71%	0.706	47%	0.47	S	S	*	.			trans	-93.6	148.4	-178.7	-72.2	165.6	-170	-156.9	-0.7	111.6	D942 T945 K949	D942-R947 PolarHBondContact N-O 3.14Å; T945-R947 WeakPolarHBondContact O-CG 3.13Å; T945-R947 PolarHBondContact O-N 2.83Å; R947-K949 PolarHBondContact O-N 3.2Å
948	E	86.4	Confident	84	Confident	148 Å²	148	93.8 Å²	93.8	69%	0.692	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.2	170.9	-61.8	-164.8	142.3	0	0	111	I939	I939-E948 HydrophobicContact CG2-CB 4.33Å; I939-E948 HydrophobicContact CG2-CG 4.45Å
949	K	87.8	Confident	83.5	Confident	104 Å²	104	97 Å²	97	45%	0.452	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.4	179.3	175.4	-171.8	158.5	-133.6	0	108.7	E940 R947 T951	E940-K949 PolarHBondContact N-O 2.84Å; E940-K949 PolarHBondContact O-N 3.48Å; E940-K949 IonicContact OE2-NZ 2.65Å; E940-K949 PolarHBondContact OE2-NZ 3.47Å; R947-K949 PolarHBondContact O-N 3.2Å; K949-T951 PolarHBondContact O-N 2.92Å
950	V	90.4	Very high	83.1	Confident	82 Å²	82	96.5 Å²	96.5	50%	0.497	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.6	177.7	-171.8	0	0	0	0	110.2	L937 Y938 I939	L937-V950 HydrophobicContact CB-CG1 3.96Å; L937-V950 HydrophobicContact CD2-CG1 4.02Å; L937-V950 HydrophobicContact CG-CG1 4.5Å; Y938-V950 CarbonylContact O-C 3.54Å; Y938-V950 WeakPolarHBondContact O-CA 3.37Å; I939-V950 HydrophobicContact CG1-CG2 4.44Å
951	T	89.4	Confident	83.1	Confident	48 Å²	48	97.5 Å²	97.5	29%	0.294	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.2	176.7	-58.1	0	0	0	0	110.1	Y938 K949 M953	Y938-T951 PolarHBondContact N-O 2.66Å; Y938-T951 PolarHBondContact O-N 3.11Å; K949-T951 PolarHBondContact O-N 2.92Å; T951-M953 HydrophobicContact CG2-CG 4.41Å; T951-M953 PolarHBondContact O-N 3.17Å
952	V	91.1	Very high	83.3	Confident	84 Å²	84	93.1 Å²	93.1	51%	0.509	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.7	-179	-170.9	0	0	0	0	110.7	N935 L937	N935-V952 HydrophobicContact CB-CG1 3.78Å; L937-V952 HydrophobicContact CD2-CG1 4.39Å; L937-V952 HydrophobicContact CD2-CG2 3.88Å
953	M	86.6	Confident	83.8	Confident	53 Å²	53	92.7 Å²	92.7	26%	0.261	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	99.3	-179.2	-57.5	-166.4	78.9	0	0	110.8	K906 F936 Y938 T951 M956	K906-M953 HydrophobicContact CD-SD 4.13Å; K906-M953 VanDerWaalsContact CE-SD 3.56Å; F936-M953 HydrophobicContact CB-CB 4.42Å; F936-M953 PolarHBondContact N-O 3.13Å; F936-M953 PolarHBondContact O-N 3.42Å; Y938-M953 HydrophobicContact CD1-SD 4.27Å; T951-M953 HydrophobicContact CG2-CG 4.41Å; T951-M953 PolarHBondContact O-N 3.17Å; M953-M956 HydrophobicContact CB-CG 4.05Å; M953-M956 HydrophobicContact CB-SD 4.3Å; M953-M956 HydrophobicContact CE-CG 3.85Å; M953-M956 HydrophobicContact CE-SD 4.19Å; M953-M956 HydrophobicContact SD-CG 4.16Å; M953-M956 HydrophobicContact SD-SD 3.82Å
954	S	80.8	Confident	84.3	Confident	65 Å²	65	85.9 Å²	85.9	46%	0.455	47%	0.467	S	S	.	.	S	Bend	trans	-74.1	-37.3	-178.9	59.4	0	0	0	0	113.2	K914 N935	K914-S954 VanDerWaalsContact CD-O 3.32Å; K914-S954 WeakPolarHBondContact CD-O 3.33Å; K914-S954 PolarHBondContact NZ-O 2.81Å; N935-S954 VanDerWaalsContact OD1-CA 3.25Å; N935-S954 WeakPolarHBondContact OD1-CA 3.29Å; N935-S954 WeakPolarHBondContact OD1-CB 3.49Å
955	T	77.9	Confident	84.7	Confident	101 Å²	101	83.2 Å²	83.2	62%	0.62	45%	0.446	S	S	*	.			trans	-124	141.7	170.8	53.3	0	0	0	0	109.9
956	M	78.3	Confident	85.2	Confident	12 Å²	12	80 Å²	80	6%	0.059	43%	0.426	C	S	.	.			trans	-129.3	119.3	168.7	-77.3	-171.1	-74.1	0	0	108.6	K906 M909 G913 K914 F936 M953	K906-M956 HydrophobicContact CD-SD 3.72Å; M909-M956 HydrophobicContact CB-CE 3.63Å; M909-M956 HydrophobicContact CB-SD 4.17Å; M909-M956 HydrophobicContact CE-CE 3.67Å; M909-M956 HydrophobicContact CG-CE 4.12Å; M909-M956 HydrophobicContact SD-CE 3.42Å; M909-M956 WeakPolarHBondContact SD-CE 3.3Å; G913-M956 WeakPolarHBondContact CA-O 3.44Å; K914-M956 PolarHBondContact N-O 3.17Å; F936-M956 HydrophobicContact CB-CE 3.52Å; F936-M956 HydrophobicContact CD1-CE 3.54Å; F936-M956 HydrophobicContact CD1-SD 4.01Å; F936-M956 HydrophobicContact CE1-CE 4.43Å; F936-M956 HydrophobicContact CG-CE 3.64Å; M953-M956 HydrophobicContact CB-CG 4.05Å; M953-M956 HydrophobicContact CB-SD 4.3Å; M953-M956 HydrophobicContact CE-CG 3.85Å; M953-M956 HydrophobicContact CE-SD 4.19Å; M953-M956 HydrophobicContact SD-CG 4.16Å; M953-M956 HydrophobicContact SD-SD 3.82Å
957	N	80.7	Confident	85.5	Confident	120 Å²	120	73.5 Å²	73.5	64%	0.642	40%	0.396	S	S	*	.			trans	-87.8	143.4	175.1	-60.9	-27	0	0	0	108.4	T959	N957-T959 PolarHBondContact O-N 3.23Å
958	P	85.5	Confident	85.2	Confident	88 Å²	88	67.2 Å²	67.2	57%	0.571	39%	0.39	S	S	*	.			trans	-58.3	120.6	170	-21.3	32.2	0	0	0	110.5	D910	D910-P958 CarbonylContact O-C 3.59Å; D910-P958 VanDerWaalsContact O-CA 3.31Å; D910-P958 WeakPolarHBondContact O-CA 3.48Å
959	T	82.8	Confident	84.4	Confident	104 Å²	104	63.9 Å²	63.9	64%	0.638	40%	0.395	S	S	*	.			trans	-107.3	-23	177.2	52	0	0	0	0	111.9	D910 N957	D910-T959 WeakPolarHBondContact CB-OG1 3.26Å; D910-T959 PolarHBondContact O-N 2.87Å; D910-T959 PolarHBondContact OD1-OG1 3.46Å; N957-T959 PolarHBondContact O-N 3.23Å
960	K	81.3	Confident	83.8	Confident	41 Å²	41	63.7 Å²	63.7	18%	0.178	40%	0.396	C	S	.	.			trans	-92.8	99.7	-173.5	-172.6	166.3	-175	155.7	0	111.9	L895 D910 L962 E965	L895-K960 PolarHBondContact O-NZ 2.87Å; D910-K960 PolarHBondContact O-N 2.94Å; D910-K960 VanDerWaalsContact O-N 3.1Å; K960-L962 PolarHBondContact O-N 2.98Å; K960-E965 WeakPolarHBondContact CE-OE1 3.48Å; K960-E965 WeakPolarHBondContact CE-OE2 3.47Å; K960-E965 IonicContact NZ-OE1 3.6Å; K960-E965 IonicContact NZ-OE2 2.68Å
961	D	85.9	Confident	83.1	Confident	87 Å²	87	71.9 Å²	71.9	47%	0.465	42%	0.418	S	S	.	.			trans	-81.1	101	173.4	179.4	20.2	0	0	0	111.8	L963 A964 E965	D961-L963 PolarHBondContact O-N 3.33Å; D961-L963 WeakPolarHBondContact OD1-CB 3.25Å; D961-L963 PolarHBondContact OD1-N 3.5Å; D961-A964 HydrophobicContact CB-CB 4.16Å; D961-A964 PolarHBondContact O-N 2.68Å; D961-A964 WeakPolarHBondContact OD2-CB 3.34Å; D961-A964 PolarHBondContact OD2-N 3.33Å; D961-E965 PolarHBondContact O-N 2.93Å; D961-E965 VanDerWaalsContact O-N 3.15Å
962	L	87.2	Confident	82.8	Confident	2 Å²	2	71 Å²	71	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-52.9	-34.2	172.6	-70	176.5	0	0	0	113.2	Y887 L895 L911 K960 E965 L966 K984 L987 E988	Y887-L962 HydrophobicContact CD2-CD2 4.21Å; Y887-L962 HydrophobicContact CE2-CD2 4.21Å; L895-L962 HydrophobicContact CD1-CD2 3.97Å; L911-L962 HydrophobicContact CD1-CD1 3.75Å; L911-L962 HydrophobicContact CD1-CD2 3.79Å; L911-L962 HydrophobicContact CD1-CG 3.49Å; L911-L962 VanDerWaalsContact CD1-CG 3.49Å; K960-L962 PolarHBondContact O-N 2.98Å; L962-E965 PolarHBondContact O-N 3.39Å; L962-L966 HydrophobicContact CB-CD1 4.29Å; L962-L966 WeakPolarHBondContact O-CB 3.41Å; L962-L966 VanDerWaalsContact O-CD1 3.31Å; L962-L966 WeakPolarHBondContact O-CD1 3.25Å; L962-L966 WeakPolarHBondContact O-CG 3.36Å; L962-L966 PolarHBondContact O-N 3.19Å; L962-K984 HydrophobicContact CB-CG 3.95Å; L962-L987 HydrophobicContact CD1-CB 4.48Å; L962-E988 HydrophobicContact CD1-CG 3.87Å
963	L	88.5	Confident	82.7	Confident	46 Å²	46	70.2 Å²	70.2	24%	0.241	41%	0.408	C	S	.	.	H	α-helix	trans	-71.2	-40.3	-175.8	-172	65.6	0	0	0	111.1	D961 I967 M981 K984	D961-L963 PolarHBondContact O-N 3.33Å; D961-L963 WeakPolarHBondContact OD1-CB 3.25Å; D961-L963 PolarHBondContact OD1-N 3.5Å; L963-I967 HydrophobicContact CD1-CD1 3.91Å; L963-I967 HydrophobicContact CD1-CG1 4.43Å; L963-I967 HydrophobicContact CG-CD1 3.96Å; L963-I967 WeakPolarHBondContact O-CB 3.38Å; L963-I967 VanDerWaalsContact O-CG1 3.25Å; L963-I967 WeakPolarHBondContact O-CG1 3.48Å; L963-I967 PolarHBondContact O-N 3.25Å; L963-I967 VanDerWaalsContact O-N 3.07Å; L963-M981 HydrophobicContact CD1-CG 3.97Å; L963-K984 HydrophobicContact CB-CD 4.45Å; L963-K984 HydrophobicContact CB-CG 4.33Å; L963-K984 HydrophobicContact CD1-CG 4.43Å
964	A	87.8	Confident	82.7	Confident	59 Å²	59	75.2 Å²	75.2	49%	0.488	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-44.8	172.6	0	0	0	0	0	112	D961 I967 G968	D961-A964 HydrophobicContact CB-CB 4.16Å; D961-A964 PolarHBondContact O-N 2.68Å; D961-A964 WeakPolarHBondContact OD2-CB 3.34Å; D961-A964 PolarHBondContact OD2-N 3.33Å; A964-I967 PolarHBondContact O-N 2.99Å; A964-G968 PolarHBondContact O-N 3.09Å
965	E	88.1	Confident	83	Confident	73 Å²	73	77.6 Å²	77.6	34%	0.341	44%	0.438	S	S	.	.	H	α-helix	trans	-67.1	-45.6	179.3	-70.3	-173.4	152.2	0	0	113.1	Y887 K960 D961 L962 I967 G968	Y887-E965 HydrophobicContact CE2-CB 4.35Å; Y887-E965 PolarHBondContact OH-OE2 3.23Å; K960-E965 WeakPolarHBondContact CE-OE1 3.48Å; K960-E965 WeakPolarHBondContact CE-OE2 3.47Å; K960-E965 IonicContact NZ-OE1 3.6Å; K960-E965 IonicContact NZ-OE2 2.68Å; D961-E965 PolarHBondContact O-N 2.93Å; D961-E965 VanDerWaalsContact O-N 3.15Å; L962-E965 PolarHBondContact O-N 3.39Å; E965-I967 VanDerWaalsContact C-N 3.32Å; E965-I967 PolarHBondContact O-N 2.93Å; E965-G968 PolarHBondContact O-N 3.37Å
966	L	87.9	Confident	83.6	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	42%	0.418	C	S	.	.	H	α-helix	trans	-62.9	-37.7	176.7	-69.8	164.9	0	0	0	111.5	Y887 Y890 T891 L962 V980 L983 K984 L987	Y887-L966 HydrophobicContact CD2-CD2 3.78Å; Y887-L966 HydrophobicContact CD2-CG 4.36Å; Y887-L966 HydrophobicContact CE2-CD2 4.08Å; Y887-L966 HydrophobicContact CE2-CG 4.34Å; Y890-L966 HydrophobicContact CD1-CB 4.41Å; Y890-L966 HydrophobicContact CD1-CD2 3.69Å; Y890-L966 HydrophobicContact CE1-CB 4.31Å; Y890-L966 HydrophobicContact CE1-CD2 4.4Å; Y890-L966 VanDerWaalsContact CE1-O 3.24Å; Y890-L966 WeakPolarHBondContact CE1-O 3.3Å; T891-L966 HydrophobicContact CG2-CD2 3.97Å; L962-L966 HydrophobicContact CB-CD1 4.29Å; L962-L966 WeakPolarHBondContact O-CB 3.41Å; L962-L966 VanDerWaalsContact O-CD1 3.31Å; L962-L966 WeakPolarHBondContact O-CD1 3.25Å; L962-L966 WeakPolarHBondContact O-CG 3.36Å; L962-L966 PolarHBondContact O-N 3.19Å; L966-V980 HydrophobicContact CB-CG1 3.81Å; L966-L983 HydrophobicContact CD2-CD2 4.3Å; L966-K984 HydrophobicContact CD1-CB 3.68Å; L966-K984 HydrophobicContact CD1-CG 3.96Å; L966-L987 HydrophobicContact CD1-CD1 4.2Å; L966-L987 HydrophobicContact CD2-CD1 4.08Å
967	I	87.2	Confident	84.1	Confident	34 Å²	34	79.9 Å²	79.9	17%	0.174	44%	0.437	C	S	.	.	H	α-helix	trans	-75.6	-31.9	177.4	-68	174.2	0	0	0	111.1	L963 A964 E965 G969 Q970 V980	L963-I967 HydrophobicContact CD1-CD1 3.91Å; L963-I967 HydrophobicContact CD1-CG1 4.43Å; L963-I967 HydrophobicContact CG-CD1 3.96Å; L963-I967 WeakPolarHBondContact O-CB 3.38Å; L963-I967 VanDerWaalsContact O-CG1 3.25Å; L963-I967 WeakPolarHBondContact O-CG1 3.48Å; L963-I967 PolarHBondContact O-N 3.25Å; L963-I967 VanDerWaalsContact O-N 3.07Å; A964-I967 PolarHBondContact O-N 2.99Å; E965-I967 VanDerWaalsContact C-N 3.32Å; E965-I967 PolarHBondContact O-N 2.93Å; I967-G969 PolarHBondContact O-N 3.07Å; I967-Q970 WeakPolarHBondContact CG2-O 3.05Å; I967-Q970 VanDerWaalsContact O-CB 3.25Å; I967-Q970 WeakPolarHBondContact O-CB 3.5Å; I967-Q970 WeakPolarHBondContact O-CG 3.39Å; I967-Q970 PolarHBondContact O-N 3.29Å; I967-V980 HydrophobicContact CG1-CG1 4.12Å
968	G	78	Confident	84.7	Confident	55 Å²	55	78.8 Å²	78.8	57%	0.567	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	23.1	173.8	0	0	0	0	0	114.8	A964 E965 Q970	A964-G968 PolarHBondContact O-N 3.09Å; E965-G968 PolarHBondContact O-N 3.37Å; G968-Q970 PolarHBondContact O-N 3.15Å
969	G	68.8	Low	85	Confident	78 Å²	78	74.8 Å²	74.8	80%	0.804	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	0.4	-171	0	0	0	0	0	115.4	I967	I967-G969 PolarHBondContact O-N 3.07Å
970	Q	75.7	Confident	85.5	Confident	100 Å²	100	69.8 Å²	69.8	47%	0.467	37%	0.369	S	S	.	.			trans	-70.5	133.2	-178.9	-57.3	-177	19.5	0	0	111.9	I967 G968 L972	I967-Q970 WeakPolarHBondContact CG2-O 3.05Å; I967-Q970 VanDerWaalsContact O-CB 3.25Å; I967-Q970 WeakPolarHBondContact O-CB 3.5Å; I967-Q970 WeakPolarHBondContact O-CG 3.39Å; I967-Q970 PolarHBondContact O-N 3.29Å; G968-Q970 PolarHBondContact O-N 3.15Å; Q970-L972 VanDerWaalsContact C-N 3.29Å; Q970-L972 HydrophobicContact CB-CD2 4.18Å; Q970-L972 HydrophobicContact CB-CG 4.19Å; Q970-L972 PolarHBondContact O-N 3.3Å
971	R	76	Confident	86.1	Confident	254 Å²	254	71.5 Å²	71.5	96%	0.958	38%	0.379	S	S	*	.			trans	-84.4	71.2	175.2	-167.1	178	179.8	174	0	111.2
972	L	83.1	Confident	86.5	Confident	29 Å²	29	68.3 Å²	68.3	15%	0.152	36%	0.361	C	S	.	.			trans	-63.8	146.4	-178.8	-61.7	173.3	0	0	0	112.9	Q970 Q976 R977 V980	Q970-L972 VanDerWaalsContact C-N 3.29Å; Q970-L972 HydrophobicContact CB-CD2 4.18Å; Q970-L972 HydrophobicContact CB-CG 4.19Å; Q970-L972 PolarHBondContact O-N 3.3Å; L972-Q976 HydrophobicContact CB-CB 4.35Å; L972-R977 HydrophobicContact CB-CB 4.42Å; L972-V980 HydrophobicContact CD1-CG2 3.83Å
973	P	88.6	Confident	86.9	Confident	68 Å²	68	68.2 Å²	68.2	44%	0.442	36%	0.36	S	S	.	.			trans	-55.9	154.2	164.7	-23.5	33.8	0	0	0	112.2	D975 Q976 R977	P973-D975 VanDerWaalsContact C-N 3.34Å; P973-D975 PolarHBondContact O-N 3.28Å; P973-Q976 HydrophobicContact CB-CG 4.42Å; P973-Q976 HydrophobicContact CG-CG 4.4Å; P973-Q976 PolarHBondContact O-N 2.95Å; P973-Q976 VanDerWaalsContact O-N 3.14Å; P973-R977 WeakPolarHBondContact O-CB 3.43Å; P973-R977 PolarHBondContact O-N 3.08Å
974	E	87.4	Confident	87.2	Confident	159 Å²	159	68.1 Å²	68.1	74%	0.743	36%	0.358	S	S	*	.	H	α-helix	trans	-62.2	-37.9	-173	-171.1	156.1	-157.2	0	0	113.2	Q976 R977 K978	E974-Q976 PolarHBondContact O-N 3.39Å; E974-R977 PolarHBondContact O-N 2.94Å; E974-K978 WeakPolarHBondContact O-CB 3.36Å; E974-K978 PolarHBondContact O-N 2.79Å
975	D	87.4	Confident	87.6	Confident	115 Å²	115	69 Å²	69	62%	0.615	36%	0.355	S	S	*	.	H	α-helix	trans	-64.1	-41.7	175.9	-46.7	-70	0	0	0	112.3	P973 K978 K979	P973-D975 VanDerWaalsContact C-N 3.34Å; P973-D975 PolarHBondContact O-N 3.28Å; D975-K978 PolarHBondContact O-N 3.19Å; D975-K979 PolarHBondContact O-N 2.97Å
976	Q	88.9	Confident	88	Confident	44 Å²	44	65.6 Å²	65.6	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-42	176.1	-64.1	-173.6	12.3	0	0	110.4	H795 I796 L972 P973 E974 K978 K979 V980	H795-Q976 PolarHBondContact NE2-NE2 3.22Å; H795-Q976 PolarHBondContact NE2-OE1 2.69Å; I796-Q976 HydrophobicContact CG2-CB 4.46Å; I796-Q976 HydrophobicContact CG2-CG 4.29Å; L972-Q976 HydrophobicContact CB-CB 4.35Å; P973-Q976 HydrophobicContact CB-CG 4.42Å; P973-Q976 HydrophobicContact CG-CG 4.4Å; P973-Q976 PolarHBondContact O-N 2.95Å; P973-Q976 VanDerWaalsContact O-N 3.14Å; E974-Q976 PolarHBondContact O-N 3.39Å; Q976-K978 PolarHBondContact O-N 3.31Å; Q976-K979 CarbonylContact O-C 3.49Å; Q976-K979 WeakPolarHBondContact O-CA 3.43Å; Q976-K979 PolarHBondContact O-N 3.2Å; Q976-K979 VanDerWaalsContact O-N 3.1Å; Q976-V980 WeakPolarHBondContact O-CG2 3.5Å; Q976-V980 PolarHBondContact O-N 2.84Å
977	R	89.9	Confident	88.4	Confident	117 Å²	117	65.3 Å²	65.3	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-39.8	174.9	-173.9	174.6	176	-104.8	-4.2	111.9	L972 P973 E974 K979 V980 M981	L972-R977 HydrophobicContact CB-CB 4.42Å; P973-R977 WeakPolarHBondContact O-CB 3.43Å; P973-R977 PolarHBondContact O-N 3.08Å; E974-R977 PolarHBondContact O-N 2.94Å; R977-K979 VanDerWaalsContact C-N 3.31Å; R977-K979 PolarHBondContact O-N 3.08Å; R977-V980 PolarHBondContact O-N 2.81Å; R977-M981 WeakPolarHBondContact O-CG 3.29Å; R977-M981 PolarHBondContact O-N 3.28Å
978	K	91.9	Very high	88.8	Confident	96 Å²	96	66.6 Å²	66.6	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-58.4	-44.6	171.5	-166.8	-165.8	-179.8	-157.4	0	110.7	E974 D975 Q976 M981 Q982 E1012	E974-K978 WeakPolarHBondContact O-CB 3.36Å; E974-K978 PolarHBondContact O-N 2.79Å; D975-K978 PolarHBondContact O-N 3.19Å; Q976-K978 PolarHBondContact O-N 3.31Å; K978-M981 PolarHBondContact O-N 3.49Å; K978-Q982 WeakPolarHBondContact O-CG 3.31Å; K978-Q982 PolarHBondContact O-N 3.17Å; K978-E1012 WeakPolarHBondContact CE-OE2 3.26Å; K978-E1012 IonicContact NZ-OE1 2.67Å; K978-E1012 PolarHBondContact NZ-OE1 2.88Å; K978-E1012 IonicContact NZ-OE2 2.81Å; K978-E1012 PolarHBondContact NZ-OE2 3.08Å
979	K	92.5	Very high	89.6	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-34.3	177.6	-77	-74.8	169.9	-165.4	0	114.2	I796 D975 Q976 R977 Q982 L983 P1008 F1009 E1012 I1014	I796-K979 HydrophobicContact CG1-CB 3.8Å; I796-K979 HydrophobicContact CG2-CB 4.49Å; D975-K979 PolarHBondContact O-N 2.97Å; Q976-K979 CarbonylContact O-C 3.49Å; Q976-K979 WeakPolarHBondContact O-CA 3.43Å; Q976-K979 PolarHBondContact O-N 3.2Å; Q976-K979 VanDerWaalsContact O-N 3.1Å; R977-K979 VanDerWaalsContact C-N 3.31Å; R977-K979 PolarHBondContact O-N 3.08Å; K979-Q982 VanDerWaalsContact CD-OE1 3.32Å; K979-Q982 VanDerWaalsContact CE-OE1 3.27Å; K979-Q982 PolarHBondContact O-N 3.45Å; K979-L983 PolarHBondContact O-N 2.96Å; K979-P1008 PolarHBondContact NZ-O 2.81Å; K979-F1009 HydrophobicContact CB-CE2 4.43Å; K979-F1009 HydrophobicContact CD-CD2 4.02Å; K979-F1009 HydrophobicContact CD-CE2 4.24Å; K979-F1009 PolarHBondContact NZ-O 3.26Å; K979-F1009 WeakPolarHBondContact O-CD2 3.4Å; K979-F1009 WeakPolarHBondContact O-CE2 3.38Å; K979-E1012 WeakPolarHBondContact CE-O 3.49Å; K979-E1012 PolarHBondContact NZ-O 3.16Å; K979-I1014 HydrophobicContact CB-CD1 4.5Å; K979-I1014 HydrophobicContact CD-CD1 3.7Å; K979-I1014 HydrophobicContact CD-CG1 3.84Å; K979-I1014 VanDerWaalsContact CE-CG1 3.45Å; K979-I1014 HydrophobicContact CG-CD1 3.64Å; K979-I1014 HydrophobicContact CG-CG1 3.77Å
980	V	93.6	Very high	90.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-39.4	172.1	173	0	0	0	0	111.3	I796 Y890 L966 I967 L972 Q976 R977 Q982 L983 K984	I796-V980 HydrophobicContact CD1-CG2 4.28Å; Y890-V980 HydrophobicContact CE1-CG1 4.32Å; Y890-V980 HydrophobicContact CE1-CG2 3.74Å; Y890-V980 HydrophobicContact CE2-CG2 4.37Å; Y890-V980 VanDerWaalsContact OH-CG2 3.24Å; Y890-V980 WeakPolarHBondContact OH-CG2 3.48Å; L966-V980 HydrophobicContact CB-CG1 3.81Å; I967-V980 HydrophobicContact CG1-CG1 4.12Å; L972-V980 HydrophobicContact CD1-CG2 3.83Å; Q976-V980 WeakPolarHBondContact O-CG2 3.5Å; Q976-V980 PolarHBondContact O-N 2.84Å; R977-V980 PolarHBondContact O-N 2.81Å; V980-Q982 VanDerWaalsContact C-N 3.32Å; V980-Q982 PolarHBondContact O-N 3.36Å; V980-L983 PolarHBondContact O-N 3.4Å; V980-K984 WeakPolarHBondContact O-CB 3.5Å; V980-K984 PolarHBondContact O-N 2.97Å
981	M	93.4	Very high	91.8	Very high	77 Å²	77	57.1 Å²	57.1	38%	0.379	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-38.2	172.4	-68.3	-176.2	-61.6	0	0	112	L963 R977 K978 K984 D985	L963-M981 HydrophobicContact CD1-CG 3.97Å; R977-M981 WeakPolarHBondContact O-CG 3.29Å; R977-M981 PolarHBondContact O-N 3.28Å; K978-M981 PolarHBondContact O-N 3.49Å; M981-K984 WeakPolarHBondContact O-CB 3.36Å; M981-K984 PolarHBondContact O-N 2.96Å; M981-D985 WeakPolarHBondContact O-CB 3.37Å; M981-D985 PolarHBondContact O-N 3.18Å
982	Q	95.1	Very high	92.8	Very high	19 Å²	19	48 Å²	48	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-31	173.8	-70.7	173.8	-5.4	0	0	113.6	K978 K979 V980 L986 H1007 P1008 F1009 E1012	K978-Q982 WeakPolarHBondContact O-CG 3.31Å; K978-Q982 PolarHBondContact O-N 3.17Å; K979-Q982 VanDerWaalsContact CD-OE1 3.32Å; K979-Q982 VanDerWaalsContact CE-OE1 3.27Å; K979-Q982 PolarHBondContact O-N 3.45Å; V980-Q982 VanDerWaalsContact C-N 3.32Å; V980-Q982 PolarHBondContact O-N 3.36Å; Q982-L986 WeakPolarHBondContact O-CB 3.32Å; Q982-L986 PolarHBondContact O-N 3.31Å; Q982-L986 VanDerWaalsContact O-N 3.11Å; Q982-H1007 PolarHBondContact O-CE1 3.05Å; Q982-H1007 VanDerWaalsContact O-CE1 3.32Å; Q982-P1008 HydrophobicContact CG-CB 4.43Å; Q982-P1008 PolarHBondContact OE1-O 3.41Å; Q982-F1009 HydrophobicContact CB-CB 3.91Å; Q982-F1009 HydrophobicContact CB-CD2 3.98Å; Q982-F1009 HydrophobicContact CB-CG 4.43Å; Q982-E1012 PolarHBondContact NE2-OE1 2.87Å; Q982-E1012 PolarHBondContact NE2-OE2 2.8Å
983	L	95.9	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-41.7	170.7	177.9	59.5	0	0	0	110.5	I796 V799 Y890 L966 K979 V980 D985 L986 L987 F1009	I796-L983 HydrophobicContact CD1-CB 4.37Å; I796-L983 HydrophobicContact CD1-CD2 3.74Å; V799-L983 HydrophobicContact CG1-CD2 4.31Å; Y890-L983 HydrophobicContact CD1-CD2 3.97Å; Y890-L983 HydrophobicContact CD2-CD2 4.49Å; Y890-L983 HydrophobicContact CG-CD2 3.8Å; L966-L983 HydrophobicContact CD2-CD2 4.3Å; K979-L983 PolarHBondContact O-N 2.96Å; V980-L983 PolarHBondContact O-N 3.4Å; L983-D985 PolarHBondContact O-N 3.4Å; L983-L986 PolarHBondContact O-N 3.09Å; L983-L987 HydrophobicContact CD1-CD1 4.12Å; L983-L987 HydrophobicContact CD1-CG 4.05Å; L983-L987 HydrophobicContact CG-CD1 3.91Å; L983-L987 HydrophobicContact CG-CG 4.3Å; L983-L987 WeakPolarHBondContact O-CB 3.34Å; L983-L987 VanDerWaalsContact O-CG 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.32Å; L983-L987 PolarHBondContact O-N 2.96Å; L983-F1009 HydrophobicContact CB-CD2 4.05Å; L983-F1009 HydrophobicContact CB-CE2 3.78Å; L983-F1009 HydrophobicContact CB-CZ 4.08Å; L983-F1009 HydrophobicContact CD1-CD1 4.43Å; L983-F1009 HydrophobicContact CD1-CE1 3.93Å; L983-F1009 HydrophobicContact CD1-CZ 4Å; L983-F1009 HydrophobicContact CG-CZ 4.42Å
984	K	95.1	Very high	93.7	Very high	45 Å²	45	45.3 Å²	45.3	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-44.6	176.4	-169.8	-103.3	178.2	-165.4	0	111.7	L962 L963 L966 V980 M981 L987 E988	L962-K984 HydrophobicContact CB-CG 3.95Å; L963-K984 HydrophobicContact CB-CD 4.45Å; L963-K984 HydrophobicContact CB-CG 4.33Å; L963-K984 HydrophobicContact CD1-CG 4.43Å; L966-K984 HydrophobicContact CD1-CB 3.68Å; L966-K984 HydrophobicContact CD1-CG 3.96Å; V980-K984 WeakPolarHBondContact O-CB 3.5Å; V980-K984 PolarHBondContact O-N 2.97Å; M981-K984 WeakPolarHBondContact O-CB 3.36Å; M981-K984 PolarHBondContact O-N 2.96Å; K984-L987 PolarHBondContact O-N 3.46Å; K984-E988 WeakPolarHBondContact CD-OE2 3.37Å; K984-E988 VanDerWaalsContact CE-OE1 3.31Å; K984-E988 WeakPolarHBondContact CE-OE1 3.44Å; K984-E988 VanDerWaalsContact CE-OE2 3.25Å; K984-E988 WeakPolarHBondContact CE-OE2 3.44Å; K984-E988 IonicContact NZ-OE1 3.43Å; K984-E988 PolarHBondContact NZ-OE1 3.46Å; K984-E988 IonicContact NZ-OE2 2.94Å; K984-E988 PolarHBondContact NZ-OE2 2.81Å; K984-E988 WeakPolarHBondContact O-CB 3.44Å; K984-E988 WeakPolarHBondContact O-CG 3.47Å; K984-E988 PolarHBondContact O-N 2.94Å
985	D	95.6	Very high	94.1	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-63.7	-41.7	174.9	-172.2	40.5	0	0	0	112.9	M981 L983 E988 S989 H1007	M981-D985 WeakPolarHBondContact O-CB 3.37Å; M981-D985 PolarHBondContact O-N 3.18Å; L983-D985 PolarHBondContact O-N 3.4Å; D985-E988 PolarHBondContact O-N 3.32Å; D985-S989 WeakPolarHBondContact O-CB 3.43Å; D985-S989 PolarHBondContact O-N 3.02Å; D985-S989 VanDerWaalsContact O-N 3.09Å; D985-S989 PolarHBondContact O-OG 2.91Å; D985-H1007 IonicContact OD2-CE1 2.67Å; D985-H1007 IonicContact OD2-NE2 2.79Å; D985-H1007 PolarHBondContact OD2-NE2 2.76Å
986	L	96.6	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-48.5	173.5	178.2	60.5	0	0	0	111.7	F807 L886 Q982 L983 E988 S989 T990 I999 A1004 H1007 F1009	F807-L986 HydrophobicContact CE2-CD1 4.2Å; F807-L986 HydrophobicContact CE2-CD2 4.01Å; F807-L986 HydrophobicContact CZ-CD1 4.17Å; F807-L986 HydrophobicContact CZ-CD2 4.26Å; L886-L986 HydrophobicContact CD1-CD2 4.41Å; Q982-L986 WeakPolarHBondContact O-CB 3.32Å; Q982-L986 PolarHBondContact O-N 3.31Å; Q982-L986 VanDerWaalsContact O-N 3.11Å; L983-L986 PolarHBondContact O-N 3.09Å; L986-E988 VanDerWaalsContact C-N 3.33Å; L986-E988 PolarHBondContact O-N 3.13Å; L986-S989 CarbonylContact O-C 3.58Å; L986-S989 WeakPolarHBondContact O-CB 3.44Å; L986-S989 PolarHBondContact O-N 3.42Å; L986-S989 VanDerWaalsContact O-N 3.07Å; L986-T990 HydrophobicContact CD1-CG2 4.32Å; L986-T990 PolarHBondContact O-N 3.4Å; L986-T990 PolarHBondContact O-OG1 3.42Å; L986-I999 HydrophobicContact CD1-CD1 4.31Å; L986-A1004 HydrophobicContact CD1-CB 4.47Å; L986-H1007 HydrophobicContact CD1-CB 4.22Å; L986-H1007 PolarHBondContact N-CE1 3.16Å; L986-F1009 HydrophobicContact CD2-CB 4.39Å; L986-F1009 HydrophobicContact CD2-CD1 3.67Å; L986-F1009 HydrophobicContact CD2-CE1 4.41Å; L986-F1009 HydrophobicContact CD2-CG 4.35Å
987	L	96.4	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-40.3	177.7	-72.8	173	0	0	0	111.3	G883 L886 Y887 L962 L966 L983 K984 S989 T990 L991	G883-L987 WeakPolarHBondContact O-CD2 3.33Å; L886-L987 HydrophobicContact CB-CD2 4.05Å; Y887-L987 HydrophobicContact CD2-CD1 4.32Å; L962-L987 HydrophobicContact CD1-CB 4.48Å; L966-L987 HydrophobicContact CD1-CD1 4.2Å; L966-L987 HydrophobicContact CD2-CD1 4.08Å; L983-L987 HydrophobicContact CD1-CD1 4.12Å; L983-L987 HydrophobicContact CD1-CG 4.05Å; L983-L987 HydrophobicContact CG-CD1 3.91Å; L983-L987 HydrophobicContact CG-CG 4.3Å; L983-L987 WeakPolarHBondContact O-CB 3.34Å; L983-L987 VanDerWaalsContact O-CG 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.32Å; L983-L987 PolarHBondContact O-N 2.96Å; K984-L987 PolarHBondContact O-N 3.46Å; L987-S989 PolarHBondContact O-N 3.48Å; L987-T990 PolarHBondContact O-N 3.05Å; L987-T990 PolarHBondContact O-OG1 3.3Å; L987-L991 HydrophobicContact CB-CD1 4.16Å; L987-L991 HydrophobicContact CD2-CD1 4.37Å; L987-L991 WeakPolarHBondContact O-CB 3.36Å; L987-L991 WeakPolarHBondContact O-CD1 3.35Å; L987-L991 VanDerWaalsContact O-CG 3.25Å; L987-L991 WeakPolarHBondContact O-CG 3.44Å; L987-L991 PolarHBondContact O-N 3.1Å
988	E	94.4	Very high	95	Very high	60 Å²	60	36.8 Å²	36.8	28%	0.28	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-28.8	174.1	-79.3	-179	137.2	0	0	112.6	K912 L962 K984 D985 L986 M992	K912-E988 PolarHBondContact NZ-O 3.12Å; L962-E988 HydrophobicContact CD1-CG 3.87Å; K984-E988 WeakPolarHBondContact CD-OE2 3.37Å; K984-E988 VanDerWaalsContact CE-OE1 3.31Å; K984-E988 WeakPolarHBondContact CE-OE1 3.44Å; K984-E988 VanDerWaalsContact CE-OE2 3.25Å; K984-E988 WeakPolarHBondContact CE-OE2 3.44Å; K984-E988 IonicContact NZ-OE1 3.43Å; K984-E988 PolarHBondContact NZ-OE1 3.46Å; K984-E988 IonicContact NZ-OE2 2.94Å; K984-E988 PolarHBondContact NZ-OE2 2.81Å; K984-E988 WeakPolarHBondContact O-CB 3.44Å; K984-E988 WeakPolarHBondContact O-CG 3.47Å; K984-E988 PolarHBondContact O-N 2.94Å; D985-E988 PolarHBondContact O-N 3.32Å; L986-E988 VanDerWaalsContact C-N 3.33Å; L986-E988 PolarHBondContact O-N 3.13Å; E988-M992 WeakPolarHBondContact O-CG 3.4Å
989	S	94.7	Very high	95.2	Very high	35 Å²	35	33.3 Å²	33.3	25%	0.245	18%	0.179	C	C	.	.	H	α-helix	trans	-86.5	-27.2	179.5	-57.6	0	0	0	0	113.8	D985 L986 L987 R998 I999	D985-S989 WeakPolarHBondContact O-CB 3.43Å; D985-S989 PolarHBondContact O-N 3.02Å; D985-S989 VanDerWaalsContact O-N 3.09Å; D985-S989 PolarHBondContact O-OG 2.91Å; L986-S989 CarbonylContact O-C 3.58Å; L986-S989 WeakPolarHBondContact O-CB 3.44Å; L986-S989 PolarHBondContact O-N 3.42Å; L986-S989 VanDerWaalsContact O-N 3.07Å; L987-S989 PolarHBondContact O-N 3.48Å; S989-R998 WeakPolarHBondContact O-CA 3.39Å; S989-I999 PolarHBondContact O-N 3.44Å
990	T	95.8	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-81.6	-39.9	172	56.6	0	0	0	0	112.2	F807 M879 L986 L987 M992 R998 I999	F807-T990 HydrophobicContact CZ-CG2 4.37Å; M879-T990 HydrophobicContact CG-CG2 4.35Å; M879-T990 HydrophobicContact SD-CG2 3.7Å; L986-T990 HydrophobicContact CD1-CG2 4.32Å; L986-T990 PolarHBondContact O-N 3.4Å; L986-T990 PolarHBondContact O-OG1 3.42Å; L987-T990 PolarHBondContact O-N 3.05Å; L987-T990 PolarHBondContact O-OG1 3.3Å; T990-M992 PolarHBondContact O-N 3.17Å; T990-M992 VanDerWaalsContact O-N 3.1Å; T990-R998 VanDerWaalsContact O-CD 3.3Å; T990-R998 WeakPolarHBondContact O-CD 3.49Å; T990-R998 WeakPolarHBondContact O-CG 3.42Å; T990-I999 HydrophobicContact CG2-CG2 3.57Å
991	L	96.4	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.			trans	-85	32.8	-175.3	-59.6	164.6	0	0	0	113.4	W880 L895 L911 K912 L987	W880-L991 HydrophobicContact CD2-CD2 4.16Å; W880-L991 HydrophobicContact CE3-CB 4.49Å; W880-L991 HydrophobicContact CE3-CD2 4.21Å; W880-L991 HydrophobicContact CZ2-CD2 4.49Å; W880-L991 VanDerWaalsContact CZ3-C 3.49Å; W880-L991 HydrophobicContact CZ3-CB 4.19Å; W880-L991 HydrophobicContact CZ3-CD2 4.39Å; W880-L991 WeakPolarHBondContact CZ3-O 3.03Å; L895-L991 HydrophobicContact CD2-CD1 3.48Å; L895-L991 VanDerWaalsContact CD2-CD1 3.48Å; L895-L991 HydrophobicContact CD2-CD2 3.9Å; L895-L991 HydrophobicContact CD2-CG 4.35Å; L911-L991 HydrophobicContact CD2-CB 4.37Å; L911-L991 HydrophobicContact CD2-CD1 4.02Å; K912-L991 WeakPolarHBondContact CE-O 3.42Å; K912-L991 WeakPolarHBondContact CG-O 3.5Å; L987-L991 HydrophobicContact CB-CD1 4.16Å; L987-L991 HydrophobicContact CD2-CD1 4.37Å; L987-L991 WeakPolarHBondContact O-CB 3.36Å; L987-L991 WeakPolarHBondContact O-CD1 3.35Å; L987-L991 VanDerWaalsContact O-CG 3.25Å; L987-L991 WeakPolarHBondContact O-CG 3.44Å; L987-L991 PolarHBondContact O-N 3.1Å
992	M	96.2	Very high	95.7	Very high	61 Å²	61	37.1 Å²	37.1	30%	0.3	21%	0.205	S	C	.	.			trans	-76.8	127.4	173.3	-71.4	-65.4	-76.2	0	0	110.2	E988 T990 D994 K997 R998	E988-M992 WeakPolarHBondContact O-CG 3.4Å; T990-M992 PolarHBondContact O-N 3.17Å; T990-M992 VanDerWaalsContact O-N 3.1Å; M992-D994 PolarHBondContact O-N 3.14Å; M992-K997 HydrophobicContact CB-CB 4.35Å; M992-K997 HydrophobicContact CE-CB 4.13Å; M992-K997 HydrophobicContact CE-CD 4.33Å; M992-R998 HydrophobicContact CB-CG 3.95Å; M992-R998 WeakPolarHBondContact O-CG 3.41Å; M992-R998 PolarHBondContact O-NE 3Å; M992-R998 PolarHBondContact O-NH2 3.45Å
993	L	95.4	Very high	95.7	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	22%	0.224	C	C	.	.	S	Bend	trans	-56.4	-49.5	-175.3	-61.4	178.9	0	0	0	112.1	P865 W880 A908 M909 K912 G913 M915 M919 P995 R998	P865-L993 HydrophobicContact CG-CD2 4.16Å; W880-L993 HydrophobicContact CH2-CD2 3.94Å; W880-L993 HydrophobicContact CZ3-CD2 4.23Å; A908-L993 HydrophobicContact CB-CD2 3.84Å; M909-L993 HydrophobicContact CG-CD1 3.99Å; K912-L993 HydrophobicContact CB-CD1 3.92Å; K912-L993 HydrophobicContact CB-CD2 4.28Å; K912-L993 HydrophobicContact CB-CG 3.79Å; K912-L993 HydrophobicContact CG-CD2 4.49Å; K912-L993 HydrophobicContact CG-CG 4.24Å; G913-L993 WeakPolarHBondContact O-CD1 3.49Å; M915-L993 HydrophobicContact CB-CD1 4.2Å; M919-L993 WeakPolarHBondContact CE-O 3.41Å; L993-P995 WeakPolarHBondContact O-CD 3.35Å; L993-R998 PolarHBondContact O-NH2 3.45Å
994	D	95.3	Very high	95.8	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	22%	0.224	C	C	.	.	S	Bend	trans	-74.6	113.7	174.9	-176.8	-0.8	0	0	0	110.1	M919 M992 A996 K997	M919-D994 HydrophobicContact SD-CB 4.39Å; M992-D994 PolarHBondContact O-N 3.14Å; D994-A996 PolarHBondContact O-N 2.91Å; D994-A996 VanDerWaalsContact O-N 3.17Å; D994-A996 WeakPolarHBondContact OD1-CB 3.43Å; D994-A996 PolarHBondContact OD1-N 3.39Å; D994-K997 HydrophobicContact CB-CB 4.45Å; D994-K997 HydrophobicContact CB-CD 4.17Å; D994-K997 HydrophobicContact CB-CG 4.14Å; D994-K997 PolarHBondContact O-N 2.95Å; D994-K997 WeakPolarHBondContact OD2-CE 3.46Å
995	P	95.1	Very high	95.8	Very high	17 Å²	17	40.1 Å²	40.1	11%	0.11	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.2	-178.4	20.9	-31.1	0	0	0	113.1	E866 K871 L993 K997 R998	E866-P995 HydrophobicContact CG-CG 4.39Å; E866-P995 WeakPolarHBondContact OE1-CB 3.33Å; K871-P995 VanDerWaalsContact NZ-CG 3.35Å; L993-P995 WeakPolarHBondContact O-CD 3.35Å; P995-K997 PolarHBondContact O-N 3.45Å; P995-K997 VanDerWaalsContact O-N 3.07Å; P995-R998 PolarHBondContact O-N 2.87Å; P995-R998 VanDerWaalsContact O-N 3.15Å
996	A	94.1	Very high	95.8	Very high	91 Å²	91	43 Å²	43	75%	0.752	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-68.4	-4.5	175.6	0	0	0	0	0	113.8	D994	D994-A996 PolarHBondContact O-N 2.91Å; D994-A996 VanDerWaalsContact O-N 3.17Å; D994-A996 WeakPolarHBondContact OD1-CB 3.43Å; D994-A996 PolarHBondContact OD1-N 3.39Å
997	K	94.8	Very high	95.8	Very high	126 Å²	126	43.7 Å²	43.7	55%	0.548	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-115.9	3.4	175.9	-57.6	-174.2	-175.8	-175.5	0	113.6	M992 D994 P995	M992-K997 HydrophobicContact CB-CB 4.35Å; M992-K997 HydrophobicContact CE-CB 4.13Å; M992-K997 HydrophobicContact CE-CD 4.33Å; D994-K997 HydrophobicContact CB-CB 4.45Å; D994-K997 HydrophobicContact CB-CD 4.17Å; D994-K997 HydrophobicContact CB-CG 4.14Å; D994-K997 PolarHBondContact O-N 2.95Å; D994-K997 WeakPolarHBondContact OD2-CE 3.46Å; P995-K997 PolarHBondContact O-N 3.45Å; P995-K997 VanDerWaalsContact O-N 3.07Å
998	R	96.1	Very high	95.8	Very high	22 Å²	22	46.6 Å²	46.6	8%	0.083	25%	0.253	C	S	.	.	S	Bend	trans	-74.2	150.6	175	-67.2	-179.9	-167.4	144.1	20.4	110.5	E866 G876 S989 T990 M992 L993 P995 S1000	E866-R998 IonicContact OE1-CZ 2.71Å; E866-R998 IonicContact OE1-NH1 3.6Å; E866-R998 PolarHBondContact OE1-NH1 3.24Å; E866-R998 IonicContact OE1-NH2 3.69Å; E866-R998 PolarHBondContact OE1-NH2 3.25Å; E866-R998 IonicContact OE2-CZ 2.72Å; E866-R998 IonicContact OE2-NH1 2.68Å; E866-R998 PolarHBondContact OE2-NH1 3.49Å; E866-R998 IonicContact OE2-NH2 3.66Å; E866-R998 PolarHBondContact OE2-NH2 3.19Å; G876-R998 VanDerWaalsContact C-NH1 3.27Å; G876-R998 PolarHBondContact O-NH1 3.45Å; S989-R998 WeakPolarHBondContact O-CA 3.39Å; T990-R998 VanDerWaalsContact O-CD 3.3Å; T990-R998 WeakPolarHBondContact O-CD 3.49Å; T990-R998 WeakPolarHBondContact O-CG 3.42Å; M992-R998 HydrophobicContact CB-CG 3.95Å; M992-R998 WeakPolarHBondContact O-CG 3.41Å; M992-R998 PolarHBondContact O-NE 3Å; M992-R998 PolarHBondContact O-NH2 3.45Å; L993-R998 PolarHBondContact O-NH2 3.45Å; P995-R998 PolarHBondContact O-N 2.87Å; P995-R998 VanDerWaalsContact O-N 3.15Å; R998-S1000 PolarHBondContact O-N 3.28Å
999	I	96.8	Very high	95.8	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.1	133.8	172.4	-167.7	167.2	0	0	0	110.9	M879 L986 S989 T990 Q1003 A1004	M879-I999 HydrophobicContact SD-CG2 4.25Å; L986-I999 HydrophobicContact CD1-CD1 4.31Å; S989-I999 PolarHBondContact O-N 3.44Å; T990-I999 HydrophobicContact CG2-CG2 3.57Å; I999-Q1003 HydrophobicContact CD1-CB 4.07Å; I999-Q1003 HydrophobicContact CG1-CB 3.56Å; I999-A1004 HydrophobicContact CD1-CB 4.19Å; I999-A1004 HydrophobicContact CG1-CB 4.28Å; I999-A1004 HydrophobicContact CG2-CB 4.28Å
1000	S	97	Very high	95.9	Very high	53 Å²	53	42.3 Å²	42.3	37%	0.371	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-75.4	153.6	174.2	72	0	0	0	0	111.1	R998 N1002 Q1003 A1004	R998-S1000 PolarHBondContact O-N 3.28Å; S1000-N1002 VanDerWaalsContact C-N 3.25Å; S1000-N1002 PolarHBondContact O-N 2.88Å; S1000-N1002 VanDerWaalsContact O-N 3.17Å; S1000-Q1003 WeakPolarHBondContact O-CA 3.35Å; S1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; S1000-Q1003 PolarHBondContact O-N 3.23Å; S1000-Q1003 VanDerWaalsContact OG-CD 3.26Å; S1000-Q1003 WeakPolarHBondContact OG-CG 3.48Å; S1000-Q1003 PolarHBondContact OG-OE1 3.01Å; S1000-A1004 PolarHBondContact O-N 3.43Å
1001	I	96.8	Very high	95.7	Very high	20 Å²	20	48 Å²	48	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-54.9	-39.1	-176.9	-59.8	156.7	0	0	0	112.4	F807 L810 K811 K814 M879 A1004 L1005	F807-I1001 HydrophobicContact CB-CG2 4.41Å; F807-I1001 WeakPolarHBondContact O-CG2 3.41Å; L810-I1001 HydrophobicContact CB-CD1 3.87Å; L810-I1001 HydrophobicContact CB-CG1 4.01Å; L810-I1001 HydrophobicContact CB-CG2 4.35Å; L810-I1001 WeakPolarHBondContact O-CD1 3.35Å; K811-I1001 HydrophobicContact CB-CG2 3.86Å; K814-I1001 HydrophobicContact CB-CD1 3.93Å; K814-I1001 HydrophobicContact CD-CD1 3.84Å; K814-I1001 HydrophobicContact CG-CD1 4.48Å; M879-I1001 HydrophobicContact CE-CB 4.23Å; M879-I1001 HydrophobicContact CE-CG1 3.48Å; M879-I1001 VanDerWaalsContact CE-CG1 3.48Å; I1001-A1004 PolarHBondContact O-N 3.5Å; I1001-L1005 HydrophobicContact CG2-CD1 4.28Å; I1001-L1005 WeakPolarHBondContact O-CG 3.28Å; I1001-L1005 PolarHBondContact O-N 3.04Å
1002	N	95.8	Very high	95.3	Very high	87 Å²	87	51.4 Å²	51.4	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-37.7	177.1	-70.7	-38.4	0	0	0	112.3	K811 S1000 Q1006	K811-N1002 PolarHBondContact NZ-OD1 2.92Å; S1000-N1002 VanDerWaalsContact C-N 3.25Å; S1000-N1002 PolarHBondContact O-N 2.88Å; S1000-N1002 VanDerWaalsContact O-N 3.17Å; N1002-Q1006 WeakPolarHBondContact O-CB 3.45Å; N1002-Q1006 VanDerWaalsContact O-CG 3.31Å; N1002-Q1006 WeakPolarHBondContact O-CG 3.35Å; N1002-Q1006 PolarHBondContact O-N 3.37Å; N1002-Q1006 VanDerWaalsContact O-N 3.13Å
1003	Q	96.1	Very high	94.2	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-37.3	174	-71	162.9	-44.8	0	0	111.6	I999 S1000 Q1006 H1007	I999-Q1003 HydrophobicContact CD1-CB 4.07Å; I999-Q1003 HydrophobicContact CG1-CB 3.56Å; S1000-Q1003 WeakPolarHBondContact O-CA 3.35Å; S1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; S1000-Q1003 PolarHBondContact O-N 3.23Å; S1000-Q1003 VanDerWaalsContact OG-CD 3.26Å; S1000-Q1003 WeakPolarHBondContact OG-CG 3.48Å; S1000-Q1003 PolarHBondContact OG-OE1 3.01Å; Q1003-Q1006 CarbonylContact O-C 3.42Å; Q1003-Q1006 PolarHBondContact O-N 3.06Å; Q1003-Q1006 VanDerWaalsContact O-N 3.13Å; Q1003-H1007 PolarHBondContact O-N 3.32Å
1004	A	96.7	Very high	92.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-43.5	176	0	0	0	0	0	111.5	F807 M879 L986 I999 S1000 I1001 Q1006 H1007	F807-A1004 HydrophobicContact CD1-CB 4.12Å; F807-A1004 HydrophobicContact CD2-CB 3.81Å; F807-A1004 HydrophobicContact CE1-CB 4.08Å; F807-A1004 HydrophobicContact CE2-CB 3.77Å; F807-A1004 HydrophobicContact CG-CB 4.01Å; F807-A1004 HydrophobicContact CZ-CB 3.92Å; M879-A1004 HydrophobicContact CE-CB 4.47Å; L986-A1004 HydrophobicContact CD1-CB 4.47Å; I999-A1004 HydrophobicContact CD1-CB 4.19Å; I999-A1004 HydrophobicContact CG1-CB 4.28Å; I999-A1004 HydrophobicContact CG2-CB 4.28Å; S1000-A1004 PolarHBondContact O-N 3.43Å; I1001-A1004 PolarHBondContact O-N 3.5Å; A1004-Q1006 VanDerWaalsContact C-N 3.26Å; A1004-Q1006 PolarHBondContact O-N 3.31Å; A1004-H1007 WeakPolarHBondContact O-CB 3.47Å; A1004-H1007 PolarHBondContact O-N 3.49Å; A1004-H1007 VanDerWaalsContact O-N 3.15Å
1005	L	95.8	Very high	92.3	Very high	21 Å²	21	62.8 Å²	62.8	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-29.5	172	-73	168.1	0	0	0	113.1	Q804 F807 L808 K811 I1001 Q1011	Q804-L1005 HydrophobicContact CG-CD2 4.34Å; F807-L1005 HydrophobicContact CB-CD2 3.67Å; F807-L1005 HydrophobicContact CB-CG 3.84Å; L808-L1005 HydrophobicContact CD2-CD1 4.22Å; L808-L1005 HydrophobicContact CD2-CD2 4.3Å; L808-L1005 HydrophobicContact CG-CD2 4.16Å; K811-L1005 HydrophobicContact CD-CD1 4.01Å; I1001-L1005 HydrophobicContact CG2-CD1 4.28Å; I1001-L1005 WeakPolarHBondContact O-CG 3.28Å; I1001-L1005 PolarHBondContact O-N 3.04Å; L1005-Q1011 PolarHBondContact O-NE2 2.97Å
1006	Q	96.3	Very high	92.2	Very high	139 Å²	139	65.2 Å²	65.2	65%	0.65	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.8	175.9	-71.6	174.4	-12.8	0	0	113.8	N1002 Q1003 A1004 Q1011	N1002-Q1006 WeakPolarHBondContact O-CB 3.45Å; N1002-Q1006 VanDerWaalsContact O-CG 3.31Å; N1002-Q1006 WeakPolarHBondContact O-CG 3.35Å; N1002-Q1006 PolarHBondContact O-N 3.37Å; N1002-Q1006 VanDerWaalsContact O-N 3.13Å; Q1003-Q1006 CarbonylContact O-C 3.42Å; Q1003-Q1006 PolarHBondContact O-N 3.06Å; Q1003-Q1006 VanDerWaalsContact O-N 3.13Å; A1004-Q1006 VanDerWaalsContact C-N 3.26Å; A1004-Q1006 PolarHBondContact O-N 3.31Å; Q1006-Q1011 WeakPolarHBondContact O-CG 3.48Å
1007	H	96.9	Very high	92.1	Very high	15 Å²	15	63.8 Å²	63.8	7%	0.069	31%	0.311	C	S	.	.	S	Bend	trans	-63.6	141.9	-174.1	-159.7	-101.5	0	0	0	112.2	Q982 D985 L986 Q1003 A1004 F1009 I1010 Q1011	Q982-H1007 PolarHBondContact O-CE1 3.05Å; Q982-H1007 VanDerWaalsContact O-CE1 3.32Å; D985-H1007 IonicContact OD2-CE1 2.67Å; D985-H1007 IonicContact OD2-NE2 2.79Å; D985-H1007 PolarHBondContact OD2-NE2 2.76Å; L986-H1007 HydrophobicContact CD1-CB 4.22Å; L986-H1007 PolarHBondContact N-CE1 3.16Å; Q1003-H1007 PolarHBondContact O-N 3.32Å; A1004-H1007 WeakPolarHBondContact O-CB 3.47Å; A1004-H1007 PolarHBondContact O-N 3.49Å; A1004-H1007 VanDerWaalsContact O-N 3.15Å; H1007-F1009 WeakPolarHBondContact ND1-CB 3.38Å; H1007-F1009 PolarHBondContact ND1-N 3.14Å; H1007-F1009 PolarHBondContact O-N 3.15Å; H1007-I1010 PolarHBondContact O-N 3.33Å; H1007-Q1011 PolarHBondContact O-N 3.47Å
1008	P	95.3	Very high	91.9	Very high	60 Å²	60	60.1 Å²	60.1	39%	0.39	30%	0.297	S	S	.	.	H	α-helix	trans	-53.8	-30	178.8	-29	36.2	0	0	0	114.1	K979 Q982 I1010 E1012	K979-P1008 PolarHBondContact NZ-O 2.81Å; Q982-P1008 HydrophobicContact CG-CB 4.43Å; Q982-P1008 PolarHBondContact OE1-O 3.41Å; P1008-I1010 VanDerWaalsContact C-N 3.3Å; P1008-I1010 PolarHBondContact O-N 2.79Å; P1008-E1012 WeakPolarHBondContact O-CB 3.45Å; P1008-E1012 PolarHBondContact O-N 2.87Å; P1008-E1012 VanDerWaalsContact O-N 3.07Å
1009	F	95.7	Very high	91.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-53.6	-45.1	172.1	-175.3	-119.6	0	0	0	112.6	I796 V799 R800 K979 Q982 L983 L986 H1007	I796-F1009 HydrophobicContact CD1-CE2 3.76Å; I796-F1009 HydrophobicContact CD1-CZ 3.88Å; I796-F1009 HydrophobicContact CG1-CE2 4.03Å; I796-F1009 HydrophobicContact CG1-CZ 4.39Å; V799-F1009 HydrophobicContact CG1-CZ 4.42Å; R800-F1009 HydrophobicContact CB-CE1 4.04Å; R800-F1009 HydrophobicContact CB-CE2 4.4Å; R800-F1009 HydrophobicContact CB-CZ 3.83Å; R800-F1009 VanDerWaalsContact CD-O 3.26Å; R800-F1009 WeakPolarHBondContact CD-O 3.48Å; R800-F1009 HydrophobicContact CG-CD1 4.31Å; R800-F1009 HydrophobicContact CG-CE1 4.08Å; R800-F1009 HydrophobicContact CG-CE2 4.42Å; R800-F1009 HydrophobicContact CG-CZ 4.12Å; R800-F1009 WeakPolarHBondContact CG-O 3.38Å; K979-F1009 HydrophobicContact CB-CE2 4.43Å; K979-F1009 HydrophobicContact CD-CD2 4.02Å; K979-F1009 HydrophobicContact CD-CE2 4.24Å; K979-F1009 PolarHBondContact NZ-O 3.26Å; K979-F1009 WeakPolarHBondContact O-CD2 3.4Å; K979-F1009 WeakPolarHBondContact O-CE2 3.38Å; Q982-F1009 HydrophobicContact CB-CB 3.91Å; Q982-F1009 HydrophobicContact CB-CD2 3.98Å; Q982-F1009 HydrophobicContact CB-CG 4.43Å; L983-F1009 HydrophobicContact CB-CD2 4.05Å; L983-F1009 HydrophobicContact CB-CE2 3.78Å; L983-F1009 HydrophobicContact CB-CZ 4.08Å; L983-F1009 HydrophobicContact CD1-CD1 4.43Å; L983-F1009 HydrophobicContact CD1-CE1 3.93Å; L983-F1009 HydrophobicContact CD1-CZ 4Å; L983-F1009 HydrophobicContact CG-CZ 4.42Å; L986-F1009 HydrophobicContact CD2-CB 4.39Å; L986-F1009 HydrophobicContact CD2-CD1 3.67Å; L986-F1009 HydrophobicContact CD2-CE1 4.41Å; L986-F1009 HydrophobicContact CD2-CG 4.35Å; H1007-F1009 WeakPolarHBondContact ND1-CB 3.38Å; H1007-F1009 PolarHBondContact ND1-N 3.14Å; H1007-F1009 PolarHBondContact O-N 3.15Å
1010	I	94.8	Very high	91.3	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-89.2	-38.6	-176.8	-62	-175.8	0	0	0	111.6	R800 Q804 F807 H1007 P1008	R800-I1010 PolarHBondContact NH1-O 2.89Å; Q804-I1010 HydrophobicContact CB-CD1 4.31Å; Q804-I1010 HydrophobicContact CB-CG2 3.93Å; Q804-I1010 HydrophobicContact CG-CG2 3.93Å; F807-I1010 HydrophobicContact CD2-CD1 3.61Å; F807-I1010 HydrophobicContact CE2-CD1 3.83Å; H1007-I1010 PolarHBondContact O-N 3.33Å; P1008-I1010 VanDerWaalsContact C-N 3.3Å; P1008-I1010 PolarHBondContact O-N 2.79Å
1011	Q	93.1	Very high	90.9	Very high	119 Å²	119	66 Å²	66	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-75.9	-43	-174.2	-68.2	-62	-32.4	0	0	113.4	L1005 Q1006 H1007	L1005-Q1011 PolarHBondContact O-NE2 2.97Å; Q1006-Q1011 WeakPolarHBondContact O-CG 3.48Å; H1007-Q1011 PolarHBondContact O-N 3.47Å
1012	E	86.9	Confident	90.5	Very high	72 Å²	72	69.5 Å²	69.5	34%	0.336	34%	0.337	S	S	.	.	S	Bend	trans	-70.8	136.7	176.6	-63.8	-177.5	171.4	0	0	111.2	R800 K978 K979 Q982 P1008	R800-E1012 PolarHBondContact NH1-O 2.96Å; K978-E1012 WeakPolarHBondContact CE-OE2 3.26Å; K978-E1012 IonicContact NZ-OE1 2.67Å; K978-E1012 PolarHBondContact NZ-OE1 2.88Å; K978-E1012 IonicContact NZ-OE2 2.81Å; K978-E1012 PolarHBondContact NZ-OE2 3.08Å; K979-E1012 WeakPolarHBondContact CE-O 3.49Å; K979-E1012 PolarHBondContact NZ-O 3.16Å; Q982-E1012 PolarHBondContact NE2-OE1 2.87Å; Q982-E1012 PolarHBondContact NE2-OE2 2.8Å; P1008-E1012 WeakPolarHBondContact O-CB 3.45Å; P1008-E1012 PolarHBondContact O-N 2.87Å; P1008-E1012 VanDerWaalsContact O-N 3.07Å
1013	K	73.3	Confident	90	Very high	194 Å²	194	68.1 Å²	68.1	84%	0.843	33%	0.326	S	S	*	.			trans	-74.3	168.9	174.6	-62.8	-177.2	179.5	-179.3	0	111.8
1014	I	59.5	Low	89.5	Confident	86 Å²	86	64.6 Å²	64.6	44%	0.441	31%	0.311	S	S	.	.			trans	-145.3	0	178.3	-39.7	163.9	0	0	0	108.2	K797 K979	K797-I1014 HydrophobicContact CD-CB 4.37Å; K797-I1014 VanDerWaalsContact CE-CG2 3.48Å; K797-I1014 HydrophobicContact CG-CB 4.25Å; K797-I1014 HydrophobicContact CG-CD1 3.84Å; K797-I1014 HydrophobicContact CG-CG2 4.39Å; K797-I1014 PolarHBondContact NZ-O 2.75Å; K797-I1014 PolarHBondContact NZ-OXT 2.92Å; K979-I1014 HydrophobicContact CB-CD1 4.5Å; K979-I1014 HydrophobicContact CD-CD1 3.7Å; K979-I1014 HydrophobicContact CD-CG1 3.84Å; K979-I1014 VanDerWaalsContact CE-CG1 3.45Å; K979-I1014 HydrophobicContact CG-CD1 3.64Å; K979-I1014 HydrophobicContact CG-CG1 3.77Å

Retrieved 1,014 of 1,014 residues in 349.4 ms (Link to these results)

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